{
 "seed": 20260906,
 "n": 3000,
 "drawn_by": "numpy.random.default_rng(seed).choice(n, n_queries, replace=False) over index line order",
 "queries": [
  {
   "line": 19693,
   "comp_id": "NKI",
   "ikey_connectivity": "FPWIEUZTQYJRJZ",
   "smiles": "O=C1NC(c2ccc(Cl)cc2)Nc2ccccc21",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 12010,
   "comp_id": "BYB",
   "ikey_connectivity": "YCNZDZZTLLGBPM",
   "smiles": "O=C(O)C1C2CCC(CC2)C1Nc1nc(-c2n[nH]c3ncc(F)cc23)ncc1F",
   "targets": [
    "UNP:Q2LG68",
    "UNP:Q5V8X3"
   ]
  },
  {
   "line": 3819,
   "comp_id": "5V3",
   "ikey_connectivity": "YIEUEKVBIVGYSC",
   "smiles": "O=c1nc[nH]c2c(CNCc3ccccc3)nccc12",
   "targets": [
    "UNP:Q6B0I6"
   ]
  },
  {
   "line": 16505,
   "comp_id": "ITT",
   "ikey_connectivity": "HAEJPQIATWHALX",
   "smiles": "O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(O)ncnc32)C(O)C1O",
   "targets": [
    "UNP:O59580",
    "UNP:P52061",
    "UNP:P9WPQ5"
   ]
  },
  {
   "line": 25968,
   "comp_id": "X7A",
   "ikey_connectivity": "SCRPJEVETAWLOZ",
   "smiles": "NC(CCCC[B-](O)(O)O)(CCN1CCCCC1)C(=O)O",
   "targets": [
    "UNP:P05089",
    "UNP:P78540",
    "UNP:Q6TUJ5",
    "UNP:Q6WVP6"
   ]
  },
  {
   "line": 5443,
   "comp_id": "810",
   "ikey_connectivity": "KXOJIFFEGXMDQZ",
   "smiles": "CCOC(=O)Nc1nc2cc3nc(NC)[nH]c3cc2c(=O)[nH]1",
   "targets": [
    "UNP:P28720"
   ]
  },
  {
   "line": 19932,
   "comp_id": "O05",
   "ikey_connectivity": "GUHCLCYLXMLIOC",
   "smiles": "Nc1nc(N2CC[NH2+]CC2)nc2c1ncn2C1OC(COP(=O)(O)CP(=O)(O)O)C(O)C1O",
   "targets": [
    "UNP:P21589"
   ]
  },
  {
   "line": 26338,
   "comp_id": "XQ2",
   "ikey_connectivity": "KXUQXSPJUZEAKI",
   "smiles": "Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CNC(=O)Cc2ccc(C=O)c(O)c2F)cc1",
   "targets": [
    "UNP:P31749"
   ]
  },
  {
   "line": 1868,
   "comp_id": "2Y1",
   "ikey_connectivity": "MGRJEGAUWXSZGM",
   "smiles": "CCCc1sc(-c2ccc(OC)c(OCCF)c2)nc1C(C)Sc1nc(N)cc(N)n1",
   "targets": [
    "UNP:P27707"
   ]
  },
  {
   "line": 13452,
   "comp_id": "E81",
   "ikey_connectivity": "OFKWTDNFZOSQNL",
   "smiles": "O=C(Oc1ccc(CO)cc1)c1ccc([N+](=O)[O-])s1",
   "targets": [
    "UNP:P04585"
   ]
  },
  {
   "line": 9865,
   "comp_id": "A1IM0",
   "ikey_connectivity": "RAADPVSTVJEXHI",
   "smiles": "CC(C)CC(C(=O)NO)C(=O)NC1CCN(c2ccccc2)C1=O",
   "targets": [
    "UNP:P14756"
   ]
  },
  {
   "line": 25515,
   "comp_id": "WJB",
   "ikey_connectivity": "ATVOVJHWVGHVRU",
   "smiles": "CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 10279,
   "comp_id": "A1JFQ",
   "ikey_connectivity": "FQLIJUSAYSLJEX",
   "smiles": "Cc1c(-c2ccccc2)[nH]c(C(=O)O)c1-c1ccc(CS(=O)(=O)N(C)C)cc1",
   "targets": [
    "UNP:Q9XAY4"
   ]
  },
  {
   "line": 15070,
   "comp_id": "GK6",
   "ikey_connectivity": "BOQNSWFZUHQNRG",
   "smiles": "Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1",
   "targets": [
    "UNP:Q16539"
   ]
  },
  {
   "line": 3212,
   "comp_id": "51Y",
   "ikey_connectivity": "CXFSVKGROITHRY",
   "smiles": "Cc1c(NC2CCCC2(C)O)ccc(C#N)c1Cl",
   "targets": [
    "UNP:P10275"
   ]
  },
  {
   "line": 16807,
   "comp_id": "J6T",
   "ikey_connectivity": "XHLXBWRISOPXQB",
   "smiles": "NC(CO)c1cccc(-c2cccc(COc3ccccc3CC(=O)O)c2)c1",
   "targets": [
    "UNP:P00746"
   ]
  },
  {
   "line": 13927,
   "comp_id": "EWE",
   "ikey_connectivity": "NHNIWQSLLUSOSI",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(C=NNC(=O)C([NH3+])Cc2c[nH]c3ccccc23)c1O",
   "targets": [
    "UNP:A0A120IWN6"
   ]
  },
  {
   "line": 5335,
   "comp_id": "7WT",
   "ikey_connectivity": "HNPFPERDNWXAGS",
   "smiles": "O=C(O)CCCC=CCC1C(O)CC(O)C1CCC(O)CCc1ccccc1",
   "targets": [
    "UNP:P43088",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63092"
   ]
  },
  {
   "line": 9861,
   "comp_id": "A1ILV",
   "ikey_connectivity": "KGKDJAZMGJFCBA",
   "smiles": "CCC(=O)N(c1ccc(OC2CCC(N)C2)cc1)C(CC(C)(C)O)c1ccc(Cl)cc1",
   "targets": [
    "UNP:Q16548"
   ]
  },
  {
   "line": 20614,
   "comp_id": "OZI",
   "ikey_connectivity": "DBKURSLDNAKNLU",
   "smiles": "O=C(NCc1cccs1)C1CN(C(=O)CCl)CCN1c1ccc(Cl)c(Cl)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 4191,
   "comp_id": "6D6",
   "ikey_connectivity": "NHAKJKNYYCYZBR",
   "smiles": "NCCCN(CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:P37634",
    "UNP:Q9UI30",
    "UNP:Q9WVG6",
    "UNP:Q9Y5N5"
   ]
  },
  {
   "line": 3609,
   "comp_id": "5K8",
   "ikey_connectivity": "UXVAZCBFNZLQHS",
   "smiles": "COC(=O)C(C(=O)OC)C1CCCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 25602,
   "comp_id": "WOP",
   "ikey_connectivity": "HIXYFFRMRKDFAZ",
   "smiles": "CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)NC(C(=O)NCc1ccccc1)c1ccccc1",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 27639,
   "comp_id": "ZPD",
   "ikey_connectivity": "IWZOWMVCZCJZJF",
   "smiles": "CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)OC1CC(CO)C(O)C(O)C1O",
   "targets": [
    "UNP:P29016",
    "UNP:P29017",
    "UNP:P61769"
   ]
  },
  {
   "line": 24899,
   "comp_id": "VIX",
   "ikey_connectivity": "JPMCHPNNLFZQMS",
   "smiles": "O=C(O)C(c1ccc(Cl)cc1)N1CCOCC1",
   "targets": [
    "UNP:P32357",
    "UNP:P33334"
   ]
  },
  {
   "line": 21639,
   "comp_id": "QK8",
   "ikey_connectivity": "AQEAWDQQWHVFAX",
   "smiles": "CCOC(=O)N1CCCC(N2CCC(C(=O)NC3(C)CCC3)CC2)CC1",
   "targets": [
    "UNP:P00720",
    "UNP:P11229"
   ]
  },
  {
   "line": 13570,
   "comp_id": "EDE",
   "ikey_connectivity": "WEPSNLBXXUYQJF",
   "smiles": "N=C(N)CCCCNCCCNC(=O)CNC(=O)CC(O)C(N)CCCC(NC(=O)C(CN)NC(=O)C(O)CNC(=O)CC(N)c1ccc(O)cc1)C(=O)O",
   "targets": [
    "UNP:P02358",
    "UNP:P0A707",
    "UNP:P0A7R9",
    "UNP:P0A7S3",
    "UNP:P0A7T3",
    "UNP:P0A7T7",
    "UNP:P0A7U7",
    "UNP:P0A7V8",
    "UNP:P0A7W1",
    "UNP:P0A7W7",
    "UNP:P0ADZ4",
    "UNP:P0AG63",
    "UNP:P68679",
    "UNP:P69222"
   ]
  },
  {
   "line": 8437,
   "comp_id": "A1CCX",
   "ikey_connectivity": "NTXBDULODNTCKP",
   "smiles": "COc1ccc(Nc2nc(C(=O)N3CCc4ccccc4C3)cs2)cc1",
   "targets": [
    "UNP:Q13507"
   ]
  },
  {
   "line": 14297,
   "comp_id": "FH1",
   "ikey_connectivity": "XMUMASNXHDVGQJ",
   "smiles": "C=CC1CC1(NC(=O)C1CC(Oc2nc3cc(OC)ccc3nc2C)CN1C(=O)C(NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1",
   "targets": [
    "UNP:A0A0B4WYC6"
   ]
  },
  {
   "line": 18296,
   "comp_id": "L9G",
   "ikey_connectivity": "IECIDZDLEJWPAN",
   "smiles": "Cc1ccc(C(N)=O)cc1-c1nnc2ccc(CCc3ccc(F)cc3F)cn12",
   "targets": [
    "UNP:Q16539"
   ]
  },
  {
   "line": 13971,
   "comp_id": "EYR",
   "ikey_connectivity": "NNAMSNGZQLVMQY",
   "smiles": "CCC(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C",
   "targets": [
    "UNP:P0C5R9",
    "UNP:P23968",
    "UNP:P25515",
    "UNP:P32366",
    "UNP:P32563",
    "UNP:P32842",
    "UNP:P53262",
    "UNP:Q3E7B6"
   ]
  },
  {
   "line": 20607,
   "comp_id": "OZA",
   "ikey_connectivity": "LMABZAWQQDGLLN",
   "smiles": "CC1(C)c2[nH]c3cc(Br)ccc3c2CC23CN4CCCC4(CC21)C(=O)N3",
   "targets": [
    "UNP:L0E4H0"
   ]
  },
  {
   "line": 10687,
   "comp_id": "A1L6Q",
   "ikey_connectivity": "ZRTQSJFIDWNVJW",
   "smiles": "N#CC(=C1SCC(c2ccccc2Cl)S1)n1ccnc1",
   "targets": [
    "UNP:P18326"
   ]
  },
  {
   "line": 3825,
   "comp_id": "5VG",
   "ikey_connectivity": "ZUJVWZRAMJMXLF",
   "smiles": "CNCc1ccc2c(c1)CC(CNC(=N)N)C2NC(=O)C(=O)Nc1ccc(Cl)c(F)c1",
   "targets": [
    "UNP:C6G099",
    "UNP:Q2N0S6"
   ]
  },
  {
   "line": 2635,
   "comp_id": "44H",
   "ikey_connectivity": "GACTWZZMVMUKNG",
   "smiles": "O=P(O)(O)OCC(O)C(O)C(O)C(O)CO",
   "targets": [
    "UNP:D0C7J2"
   ]
  },
  {
   "line": 17340,
   "comp_id": "JWP",
   "ikey_connectivity": "HUQFNHQVVJRSBA",
   "smiles": "CC(C)(C(NC(=O)c1ccc(C#CC#CCCO)cc1)C(=O)NO)S(=O)(=O)CC1COC1",
   "targets": [
    "UNP:P47205"
   ]
  },
  {
   "line": 1502,
   "comp_id": "2CX",
   "ikey_connectivity": "OQAFDLPAPSSOHY",
   "smiles": "CS(=O)(=O)N(Cc1ccco1)CC(O)Cn1c2ccccc2c2ccccc21",
   "targets": [
    "UNP:Q9R194"
   ]
  },
  {
   "line": 4097,
   "comp_id": "68E",
   "ikey_connectivity": "IGHQXATTWZGDIH",
   "smiles": "COc1cc(C)c(C(=O)NS(=O)(=O)c2cccc3cccnc23)cc1-c1ccc(C#CCO)s1",
   "targets": [
    "UNP:Q6YMS4"
   ]
  },
  {
   "line": 9570,
   "comp_id": "A1I4E",
   "ikey_connectivity": "FJZJIETWMIFSNE",
   "smiles": "COc1cncc(-c2cn(C3(c4ccc(N5CCCC(NCC6CCC6)C5)cn4)COC3)nn2)c1",
   "targets": [
    "UNP:Q86U44",
    "UNP:Q9HCE5"
   ]
  },
  {
   "line": 17953,
   "comp_id": "KSN",
   "ikey_connectivity": "OWQDWQKWSLFFFR",
   "smiles": "NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O",
   "targets": [
    "UNP:A0NFU8"
   ]
  },
  {
   "line": 24729,
   "comp_id": "VB7",
   "ikey_connectivity": "HKKCQZRJLCIYQD",
   "smiles": "NS(=O)(=O)OCC1CC(Nc2ncncc2C(=O)c2cc(C3OCCc4ccccc43)cs2)CC1O",
   "targets": [
    "UNP:P63165",
    "UNP:Q9UBE0",
    "UNP:Q9UBT2"
   ]
  },
  {
   "line": 13655,
   "comp_id": "EI1",
   "ikey_connectivity": "XBMVVMYGKMGLJX",
   "smiles": "CCc1c2cc(O)ccc2nn1-c1ccc(O)cc1",
   "targets": [
    "UNP:P03372",
    "UNP:Q61026"
   ]
  },
  {
   "line": 320,
   "comp_id": "0KW",
   "ikey_connectivity": "CXKXTRRHRJSSBG",
   "smiles": "Cc1nc(C(NC(=O)C(=O)Nc2ccc(Cl)cc2)C2CCCCN2)sc1CCO",
   "targets": [
    "UNP:A0A0M3KKW9"
   ]
  },
  {
   "line": 3089,
   "comp_id": "4V6",
   "ikey_connectivity": "KKDTTWULFNGREK",
   "smiles": "CC1N(C)c2ccc(Cl)cc2S(=O)(=O)N1C",
   "targets": [
    "UNP:P19491"
   ]
  },
  {
   "line": 5445,
   "comp_id": "813",
   "ikey_connectivity": "REJAHZFROGUZPE",
   "smiles": "CC1=CCC(C)(C)C=CCC2(C)Oc3cc(O)c(=O)cc(C)c3CC2CC1O",
   "targets": [
    "UNP:A0A9Y2YAC0"
   ]
  },
  {
   "line": 12456,
   "comp_id": "CNZ",
   "ikey_connectivity": "JIZFTRGOFNRYSA",
   "smiles": "[NH3+]C(CCC(=O)NC(CSCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCC(=O)O)C(=O)O",
   "targets": [
    "UNP:A0A384E145",
    "UNP:D2X9R3"
   ]
  },
  {
   "line": 7684,
   "comp_id": "A1B47",
   "ikey_connectivity": "LWVTYFMYDOBVLG",
   "smiles": "C=Cc1ncccc1CC(=O)N1CCCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 9950,
   "comp_id": "A1IPP",
   "ikey_connectivity": "QZDNXZAERKELRX",
   "smiles": "O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccc(Cl)cc23)c(OCc2ccccc2)c1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 23744,
   "comp_id": "TT5",
   "ikey_connectivity": "BYQGDTXJSFJTRF",
   "smiles": "O=C(c1ccccc1)N1C(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CC12CC2",
   "targets": [
    "UNP:P03372"
   ]
  },
  {
   "line": 12669,
   "comp_id": "D0T",
   "ikey_connectivity": "RDFKANMJCXGBBA",
   "smiles": "CN(Cc1ccccc1C(=O)NCc1ccccc1)Cc1ccc2c(c1C(=O)O)OCC(CCC(=O)O)O2",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 25428,
   "comp_id": "WEX",
   "ikey_connectivity": "YIUXVFOFZWYOTC",
   "smiles": "N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(CC(=O)NCCc1ccccc1)Cc1ccc(F)cc1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 21741,
   "comp_id": "QPJ",
   "ikey_connectivity": "BUWHXMOYXFBKFR",
   "smiles": "O=P(O)(O)OCC(O)C(CCO)OP(=O)(O)O",
   "targets": [
    "UNP:P06746"
   ]
  },
  {
   "line": 9255,
   "comp_id": "A1ESD",
   "ikey_connectivity": "VQPFSIRUEPQQPP",
   "smiles": "CN(C)N(C)C(=O)C1(Cc2ccccc2)CCCN(C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1",
   "targets": [
    "UNP:P59768",
    "UNP:P62873",
    "UNP:Q92847"
   ]
  },
  {
   "line": 11737,
   "comp_id": "BHX",
   "ikey_connectivity": "GZNKYXXCKRYSFH",
   "smiles": "O=C(O)CCC(CP(=O)(O)CCC(=O)O)C(=O)O",
   "targets": [
    "UNP:Q04609"
   ]
  },
  {
   "line": 12776,
   "comp_id": "D61",
   "ikey_connectivity": "MMKNOJATXTZICP",
   "smiles": "O=C(O)COC(C(=O)O)C(OCCCCCc1ccc2ccccc2c1)C(=O)NCCCCCc1ccc2ccccc2c1",
   "targets": [
    "UNP:P37268"
   ]
  },
  {
   "line": 9914,
   "comp_id": "A1INZ",
   "ikey_connectivity": "XNYXIOZDJFQUQO",
   "smiles": "COc1cc2cc(c1OC)OCCCn1cc(nn1)CC(C)COC(=O)C1CCCCN1C(=O)C2C1CCCCC1",
   "targets": [
    "UNP:Q13451"
   ]
  },
  {
   "line": 15033,
   "comp_id": "GIE",
   "ikey_connectivity": "GSMRYQUEJCTMHR",
   "smiles": "CCc1c(-c2csc(N3CCNCC3)n2)[nH]c(C)c1C(C)=O",
   "targets": [
    "UNP:Q9UIF9"
   ]
  },
  {
   "line": 14463,
   "comp_id": "FPS",
   "ikey_connectivity": "MYMLCRQRXFRQGP",
   "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCSP(=O)(O)OP(=O)(O)O",
   "targets": [
    "UNP:A0A011",
    "UNP:A0A0A0RDR2",
    "UNP:A0A0F7CMZ4",
    "UNP:A0A364LX79",
    "UNP:A0A5S9I252",
    "UNP:A0AAJ6N5X9",
    "UNP:A7NH01",
    "UNP:A9JQL9",
    "UNP:B9UXM0",
    "UNP:I6T9U8",
    "UNP:J9VSJ6",
    "UNP:O34790",
    "UNP:O81086",
    "UNP:P0DY63",
    "UNP:P17256",
    "UNP:P37268",
    "UNP:P60472",
    "UNP:P60477",
    "UNP:Q12051",
    "UNP:Q4CWB4",
    "UNP:Q86SQ9",
    "UNP:Q8TPS4",
    "UNP:Q96E22",
    "UNP:Q9LUE2",
    "UNP:Q9UR08",
    "UNP:T2BPA1"
   ]
  },
  {
   "line": 3693,
   "comp_id": "5OE",
   "ikey_connectivity": "WURIOZMXFUGBMX",
   "smiles": "COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1",
   "targets": [
    "UNP:P33981"
   ]
  },
  {
   "line": 7836,
   "comp_id": "A1BBQ",
   "ikey_connectivity": "OWSMWSCWTSFDHR",
   "smiles": "CN(CC1(O)CCOCC1)c1ncnc2[nH]ccc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 3011,
   "comp_id": "4R3",
   "ikey_connectivity": "SEAMOYQPPFJZJR",
   "smiles": "Cc1[nH]c(C(=O)Nc2nc3cc(O)c(C(=O)O)cc3s2)c(Cl)c1Cl",
   "targets": [
    "UNP:P0AES6"
   ]
  },
  {
   "line": 17348,
   "comp_id": "JWZ",
   "ikey_connectivity": "BOKDSYBHRKGRCS",
   "smiles": "CN(CCCN1CN(c2ccccc2)C2(CCN(CCC3CCC4CC3C4(C)C)CC2)C1=O)CC1(O)CCN(C(=N)N)CC1",
   "targets": [
    "UNP:Q389T8"
   ]
  },
  {
   "line": 2441,
   "comp_id": "3US",
   "ikey_connectivity": "UMDWALJSYFZDHM",
   "smiles": "CC(=O)NCCCCNc1ncnc2c1ncn2C1OC(CN(CCCNC(=O)Nc2ccc(C(C)(C)C)cc2)C(C)C)C(O)C1O",
   "targets": [
    "UNP:Q8TEK3"
   ]
  },
  {
   "line": 13413,
   "comp_id": "E68",
   "ikey_connectivity": "JXAVAPDFALAUKN",
   "smiles": "NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCCc2c[nH]cn2)cc1",
   "targets": [
    "UNP:P00921"
   ]
  },
  {
   "line": 17761,
   "comp_id": "KI8",
   "ikey_connectivity": "BWFNMEVYLTWLDQ",
   "smiles": "COc1ccccc1N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 2436,
   "comp_id": "3UJ",
   "ikey_connectivity": "PNYRDVBFYVDJJI",
   "smiles": "Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12",
   "targets": [
    "UNP:Q9NRG4"
   ]
  },
  {
   "line": 15455,
   "comp_id": "H5Q",
   "ikey_connectivity": "JCTFFZFGAUIBIH",
   "smiles": "Cc1ccc(SC2OC(CO)C(O)C(n3cc(-c4c(F)c(F)c(N)c(F)c4F)nn3)C2O)cc1",
   "targets": [
    "UNP:P17931"
   ]
  },
  {
   "line": 9895,
   "comp_id": "A1INE",
   "ikey_connectivity": "AYVBXTCIPLYEBG",
   "smiles": "NC1CCCN(P(N)(=O)NS(=O)(=O)O)C1=O",
   "targets": [
    "UNP:Q86TI2"
   ]
  },
  {
   "line": 6134,
   "comp_id": "90P",
   "ikey_connectivity": "ROYAWJTXZUOQDE",
   "smiles": "CCN1CCC(Nc2nc(N(C)C3CCCCC3)nc3cc(OC)c(OC)cc23)CC1",
   "targets": [
    "UNP:Q96KQ7",
    "UNP:Q9H9B1"
   ]
  },
  {
   "line": 3642,
   "comp_id": "5LP",
   "ikey_connectivity": "OVROHYZIQZOIGO",
   "smiles": "Cc1ccc(C(=O)O)c(NC(=O)Nc2ccc(Cl)cc2N)c1",
   "targets": [
    "UNP:P27915"
   ]
  },
  {
   "line": 12577,
   "comp_id": "CVK",
   "ikey_connectivity": "LEFMIEUBWDMNAT",
   "smiles": "COc1cc(-c2cccc3c2OCCO3)ccc1Nc1cccc(CN(C)C)c1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 5044,
   "comp_id": "7JB",
   "ikey_connectivity": "LWNJBYGFPRLQHH",
   "smiles": "CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O",
   "targets": [
    "UNP:Q86W56"
   ]
  },
  {
   "line": 9558,
   "comp_id": "A1I36",
   "ikey_connectivity": "VROHSNXJHFDVLI",
   "smiles": "Cc1cc(N(CCC(O)CO)c2nc(C(=O)O)cs2)nnc1Nc1nc2ccccc2s1",
   "targets": [
    "UNP:P10415",
    "UNP:Q07817"
   ]
  },
  {
   "line": 20250,
   "comp_id": "OFI",
   "ikey_connectivity": "VCIZMGNKKFEEHA",
   "smiles": "CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)ccc12",
   "targets": [
    "UNP:O14965"
   ]
  },
  {
   "line": 7084,
   "comp_id": "A1A91",
   "ikey_connectivity": "UNNCCYZUZPXKGK",
   "smiles": "Cc1ccc(CC(CO)Nc2ncnc3[nH]ccc23)cc1C",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 5846,
   "comp_id": "8LT",
   "ikey_connectivity": "QQVYMLIPGZJSRF",
   "smiles": "COc1ccc(CN2CC(O)C(CCC(C)C)(c3ccc(S(C)(=O)=O)cc3OC(C)CO)C2=O)cc1",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 22480,
   "comp_id": "RQ4",
   "ikey_connectivity": "AXBBYZUKIKQBNR",
   "smiles": "Cc1nc(C(F)(F)F)c(C(=O)O)cc1-c1nc(-c2ccccc2)cs1",
   "targets": [
    "UNP:P9WNX1"
   ]
  },
  {
   "line": 90,
   "comp_id": "06U",
   "ikey_connectivity": "KEPLBUUTAQCZOE",
   "smiles": "CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(-c2ccncc2)c1",
   "targets": [
    "UNP:P00374",
    "UNP:P0A017"
   ]
  },
  {
   "line": 19765,
   "comp_id": "NPQ",
   "ikey_connectivity": "HGTIILKZSFKZMS",
   "smiles": "CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O",
   "targets": [
    "UNP:Q44244"
   ]
  },
  {
   "line": 20120,
   "comp_id": "O8O",
   "ikey_connectivity": "BAXWNPHATMCEIN",
   "smiles": "O=S(=O)(c1ccc(CN2c3cc(O)c(O)cc3-c3cc(O)c(O)cc3S2(=O)=O)cc1)c1ccc(O)c(O)c1",
   "targets": [
    "UNP:P30613"
   ]
  },
  {
   "line": 20598,
   "comp_id": "OYX",
   "ikey_connectivity": "COUGPWQMAYMVGH",
   "smiles": "O=C(Cc1cncc2ccccc12)N(CCC1CCCCC1)Cc1cccs1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 22891,
   "comp_id": "SBK",
   "ikey_connectivity": "REEQLXCGVXDJSQ",
   "smiles": "O=C(O)COc1nc(Cl)c(Cl)cc1Cl",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 1401,
   "comp_id": "27J",
   "ikey_connectivity": "DWTTZBARDOXEAM",
   "smiles": "CC1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15788"
   ]
  },
  {
   "line": 22657,
   "comp_id": "S04",
   "ikey_connectivity": "SMGIPPNIBFQJBW",
   "smiles": "NCc1ccc(Cl)cc1CNC(=O)C1CCCN1C(=O)C(CC1CCCCC1)NS(=O)(=O)Cc1ccccc1",
   "targets": [
    "UNP:P00734",
    "UNP:P09945"
   ]
  },
  {
   "line": 16297,
   "comp_id": "II3",
   "ikey_connectivity": "VAGYSFRRYPPSFX",
   "smiles": "CC(C#CC1=C(C)CC(O)CC1(C)C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CC(O)CC1(C)C",
   "targets": [
    "UNP:A0A222AI25",
    "UNP:A0A222AI28",
    "UNP:A0A222AI34",
    "UNP:A0A222AI35",
    "UNP:A0A222AI36",
    "UNP:A0A222AI37",
    "UNP:A0A222AI41",
    "UNP:A0A222AI51",
    "UNP:A0A222AI52",
    "UNP:A0A222AI54",
    "UNP:A0A222AI55",
    "UNP:A0A222AI58",
    "UNP:A0A222AI61",
    "UNP:A0A222AI68",
    "UNP:A0A222AI69",
    "UNP:A0A222AI74",
    "UNP:A0A222AI78",
    "UNP:A0A222AI80",
    "UNP:A0A222AI95",
    "UNP:A0A222AI96",
    "UNP:A0A222AIA0",
    "UNP:A0A222AIA6",
    "UNP:A0A222AIB4",
    "UNP:A0A222AID2",
    "UNP:A0A222AIE3",
    "UNP:A0A222AIE4",
    "UNP:A0A222AIF3",
    "UNP:A0AAU8MKF8",
    "UNP:A0AAU8ML48",
    "UNP:L1IFP3"
   ]
  },
  {
   "line": 18364,
   "comp_id": "LD1",
   "ikey_connectivity": "PAZOXNQSXSODTC",
   "smiles": "O=C1COc2ccc(C3=Nn4cnnc4SC3c3ccccc3)cc2N1",
   "targets": [
    "UNP:P08235"
   ]
  },
  {
   "line": 9458,
   "comp_id": "A1H76",
   "ikey_connectivity": "YXPLZOYUGUVWOT",
   "smiles": "O=C(NCc1ccc(F)cc1)C1c2ccccc2C(=O)N1Cc1cc2ncccc2[nH]1",
   "targets": [
    "UNP:O14744",
    "UNP:Q9BQA1"
   ]
  },
  {
   "line": 18219,
   "comp_id": "L5J",
   "ikey_connectivity": "QKXFMUHRVZWRPO",
   "smiles": "O=C(O)Cc1ccc(CC2CCCC2CC(=O)O)cc1",
   "targets": [
    "UNP:P9WPQ5"
   ]
  },
  {
   "line": 7172,
   "comp_id": "A1ADP",
   "ikey_connectivity": "ZGACUYALUWENPI",
   "smiles": "C=C1CSC(C(C=O)NC(=O)C(NC(=O)N2CCN(CC)C(=O)C2=O)c2ccc(O)cc2)NC1C(=O)O",
   "targets": [
    "UNP:F2Z7K9"
   ]
  },
  {
   "line": 11341,
   "comp_id": "AVD",
   "ikey_connectivity": "OEMJXSVJXPIFMA",
   "smiles": "O=C(O)c1ccccc1-n1cc(C(=O)O)c(=O)c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc21",
   "targets": [
    "UNP:P06737"
   ]
  },
  {
   "line": 6998,
   "comp_id": "A1A4E",
   "ikey_connectivity": "UMSJPISUMQOUKS",
   "smiles": "COc1c(Cl)cccc1Nc1c(-c2ccncc2C#CC2(C)CCCN2C(=O)C=CCN(C)C)[nH]c2c1C(=O)NCC2",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 19082,
   "comp_id": "MK1",
   "ikey_connectivity": "CBVCZFGXHXORBI",
   "smiles": "CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O",
   "targets": [
    "UNP:O12158",
    "UNP:P03367",
    "UNP:P04587",
    "UNP:P35963",
    "UNP:Q53RT3",
    "UNP:Q7SSI0",
    "UNP:Q82134"
   ]
  },
  {
   "line": 21795,
   "comp_id": "QRJ",
   "ikey_connectivity": "IOCRPFIKFQALKS",
   "smiles": "[NH3+]C1(C(=O)O)CC2(CC[NH2+]C2)CC1CCC[B-](O)(O)O",
   "targets": [
    "UNP:P05089"
   ]
  },
  {
   "line": 16370,
   "comp_id": "ILF",
   "ikey_connectivity": "CGNHUSCKOHDSMR",
   "smiles": "O=C(Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F)c1ccsc1C(=O)O",
   "targets": [
    "UNP:Q02127"
   ]
  },
  {
   "line": 26313,
   "comp_id": "XOV",
   "ikey_connectivity": "ZXSYTHGPTJFVMM",
   "smiles": "O=C1NC2(CO1)CC(C(=O)N1CCC(COc3ccc(F)cc3Cl)CC1)C2",
   "targets": [
    "UNP:Q99685"
   ]
  },
  {
   "line": 11038,
   "comp_id": "AA7",
   "ikey_connectivity": "ITZOKHKOFJOBFS",
   "smiles": "c1ccc2c(NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3",
   "targets": [
    "UNP:P04058"
   ]
  },
  {
   "line": 21341,
   "comp_id": "Q5O",
   "ikey_connectivity": "NFAGOVIQVGGRKR",
   "smiles": "Cc1cc(OC(F)F)ccc1NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(F)cc1Cl",
   "targets": [
    "UNP:P37231",
    "UNP:Q9Y618"
   ]
  },
  {
   "line": 8997,
   "comp_id": "A1EAP",
   "ikey_connectivity": "RQGCKMOCOOAGEG",
   "smiles": "CCc1nc2ccccn2c1C(=O)c1cc(Br)c(O)c(C#N)c1",
   "targets": [
    "UNP:Q3ZAV1"
   ]
  },
  {
   "line": 25984,
   "comp_id": "X85",
   "ikey_connectivity": "CJWWRAGBHVIPTP",
   "smiles": "NC(=O)c1cc([N+](=O)[O-])c(NCCCN2CCOCC2)cc1NCc1cccnc1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 15135,
   "comp_id": "GNQ",
   "ikey_connectivity": "LIOLGHUQUQDMDF",
   "smiles": "CC(CNc1ccc(OC(F)(F)F)cc1)NC(=O)C(CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1",
   "targets": [
    "UNP:P25774"
   ]
  },
  {
   "line": 662,
   "comp_id": "14Z",
   "ikey_connectivity": "AUPWODYXIHOKFV",
   "smiles": "CCNS(=O)(=O)c1ccc2c(c1)CN(C)C(=O)N2",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 6258,
   "comp_id": "964",
   "ikey_connectivity": "OMSKFAYIWROESZ",
   "smiles": "CC(=O)NCCSSCCNC(=O)C1CCC(NC(=O)c2nccnc2C(=O)O)CC1",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 1787,
   "comp_id": "2TV",
   "ikey_connectivity": "FUAVSDQKXSFRBB",
   "smiles": "CC(=O)OC=C1CSC(C(C=O)NC=O)N=C1C(=O)O",
   "targets": [
    "UNP:P00811"
   ]
  },
  {
   "line": 12,
   "comp_id": "020",
   "ikey_connectivity": "RLLQMCBJNDRXGR",
   "smiles": "O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccco1",
   "targets": [
    "UNP:P27540",
    "UNP:Q99814"
   ]
  },
  {
   "line": 14888,
   "comp_id": "GAR",
   "ikey_connectivity": "OBQMLSFOUZUIOB",
   "smiles": "NCC(=O)NC1OC(COP(=O)([O-])[O-])C(O)C1O",
   "targets": [
    "UNP:P08179",
    "UNP:P22102",
    "UNP:P33221"
   ]
  },
  {
   "line": 26800,
   "comp_id": "YBF",
   "ikey_connectivity": "AHZNVHKEQIDYLP",
   "smiles": "O=C(Nc1ccccc1)c1ccc(-c2cn(Cc3ccccc3)c3ncccc23)c([N+](=O)[O-])c1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 8386,
   "comp_id": "A1C8J",
   "ikey_connectivity": "UKGJZDSUJSPAJL",
   "smiles": "CCCc1nc(C(F)(F)F)ccc1C=CC(=O)NC(C)c1cc(F)c(NS(C)(=O)=O)c(F)c1",
   "targets": [
    "UNP:Q8NER1"
   ]
  },
  {
   "line": 23100,
   "comp_id": "SON",
   "ikey_connectivity": "KJNLSEOJEFDELT",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COC(=O)CP(=O)(O)O)C(O)C1O",
   "targets": [
    "UNP:P22887"
   ]
  },
  {
   "line": 13306,
   "comp_id": "E1F",
   "ikey_connectivity": "ZQEDEEFNLDNUEW",
   "smiles": "NS(=O)(=O)c1ccc(C(=O)CSc2ncccn2)cc1Cl",
   "targets": [
    "UNP:O43570",
    "UNP:P00918",
    "UNP:Q8N1Q1"
   ]
  },
  {
   "line": 27705,
   "comp_id": "ZTV",
   "ikey_connectivity": "WJWKTGFLLWKVGW",
   "smiles": "CC1COCCN1c1cc(N2CCOCC2C)c2[nH]c(-c3ccccn3)nc2n1",
   "targets": [
    "UNP:P27986",
    "UNP:P42336"
   ]
  },
  {
   "line": 15568,
   "comp_id": "HAU",
   "ikey_connectivity": "LDNVJBRMIHEEJK",
   "smiles": "CC(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1",
   "targets": [
    "UNP:O96017"
   ]
  },
  {
   "line": 4080,
   "comp_id": "67F",
   "ikey_connectivity": "NZFBENDBEOZJMI",
   "smiles": "CC(=O)NC1C(NC(=S)NCCN(C(C(=O)O)C(C)C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)OC(CO)C(O)C1O",
   "targets": [
    "UNP:P39900"
   ]
  },
  {
   "line": 19743,
   "comp_id": "NNM",
   "ikey_connectivity": "CTKMEBTWSXRRSJ",
   "smiles": "C=C(C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(C)CCOP(=O)(O)O",
   "targets": [
    "UNP:P31382",
    "UNP:P33775",
    "UNP:P46971",
    "UNP:P47001"
   ]
  },
  {
   "line": 11348,
   "comp_id": "AVV",
   "ikey_connectivity": "INVLSELIWGCOEO",
   "smiles": "Nc1nc(F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OCC(O)C2O)C(O)C1O",
   "targets": [
    "UNP:P29241"
   ]
  },
  {
   "line": 25193,
   "comp_id": "W1Q",
   "ikey_connectivity": "MYPYMHPGCIZXEW",
   "smiles": "Nc1ncnc2cc(-c3cccc(S(=O)(=O)NC(=O)C4CCCN4)c3)cc(F)c12",
   "targets": [
    "UNP:Q9I502"
   ]
  },
  {
   "line": 9846,
   "comp_id": "A1IL7",
   "ikey_connectivity": "QQCDLDDDFKLBFB",
   "smiles": "O=C1CC2CCCN2C(=O)c2cncc(c2)C=CCCCCCOC(=O)C(Cc2ccc(Cl)cc2)N1",
   "targets": [
    "UNP:P0DTC1"
   ]
  },
  {
   "line": 1605,
   "comp_id": "2IK",
   "ikey_connectivity": "HPGDXHOKQNTRIC",
   "smiles": "Cc1cc(N)nc(CCc2cccc(C(N)Cc3cc(C)cc(N)n3)c2)c1",
   "targets": [
    "UNP:P29476"
   ]
  },
  {
   "line": 7510,
   "comp_id": "A1AUE",
   "ikey_connectivity": "XOPFESVZMSQIKC",
   "smiles": "COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1",
   "targets": [
    "UNP:P17597"
   ]
  },
  {
   "line": 20722,
   "comp_id": "P4P",
   "ikey_connectivity": "USFPINLPPFWTJW",
   "smiles": "c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1",
   "targets": [
    "UNP:A0A0H3JRN6",
    "UNP:P39075"
   ]
  },
  {
   "line": 20370,
   "comp_id": "OMR",
   "ikey_connectivity": "UIDOGMGTRGOBRS",
   "smiles": "CCCCCCCCCCCCCC(=O)OC1C(O)OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1O",
   "targets": [
    "UNP:Q8IXJ6"
   ]
  },
  {
   "line": 27393,
   "comp_id": "Z79",
   "ikey_connectivity": "WLZISXXOYYGJNT",
   "smiles": "COc1ccc(S(=O)(=O)NCC(=O)NO)cc1",
   "targets": [
    "UNP:P08254",
    "UNP:P39900"
   ]
  },
  {
   "line": 21830,
   "comp_id": "QTF",
   "ikey_connectivity": "GUQNCACKKADRCK",
   "smiles": "O=C(O)C1(F)CN(c2ncnc3[nH]c4cc(F)ccc4c23)CC12CCC2",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 5697,
   "comp_id": "8F0",
   "ikey_connectivity": "UJLYWYBIZBFHNH",
   "smiles": "Cc1ccc(C(C)Nc2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 15277,
   "comp_id": "GW4",
   "ikey_connectivity": "WCJXONGEWJNZQV",
   "smiles": "CC(=O)NCC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Nc1ccccc1C(=O)c1ccccc1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 3856,
   "comp_id": "5X0",
   "ikey_connectivity": "OLSMYKUQDJESEU",
   "smiles": "CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC1CCOCC1",
   "targets": [
    "UNP:Q92831"
   ]
  },
  {
   "line": 5736,
   "comp_id": "8H6",
   "ikey_connectivity": "JDSOHAIZYDPIDP",
   "smiles": "CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO",
   "targets": [
    "UNP:Q93NW7"
   ]
  },
  {
   "line": 13618,
   "comp_id": "EFQ",
   "ikey_connectivity": "SVPUOZWGAJVQMQ",
   "smiles": "COc1ccc(CC(=O)Nc2cn(C3CC(O)C3)cn2)cc1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 8817,
   "comp_id": "A1D6J",
   "ikey_connectivity": "QNFGQQDKBYVNAS",
   "smiles": "Cc1cc(-c2nc3cnc(C4CCOCC4)cc3n2C(C)c2ccccc2)nn(C)c1=O",
   "targets": [
    "UNP:Q58F21"
   ]
  },
  {
   "line": 23536,
   "comp_id": "TFD",
   "ikey_connectivity": "BDLJLGRTYOMPEG",
   "smiles": "Cc1nc(-c2ccccn2)nc(NCCNc2cccc(C(F)(F)F)n2)c1Cl",
   "targets": [
    "UNP:P53582"
   ]
  },
  {
   "line": 25033,
   "comp_id": "VQR",
   "ikey_connectivity": "JGJNNQJIGUGNAT",
   "smiles": "COC(=O)CCC(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1",
   "targets": [
    "UNP:P03313",
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 11042,
   "comp_id": "AAF",
   "ikey_connectivity": "USDCNOQKDUFKRD",
   "smiles": "COC(=O)c1ccc(NC(=O)NCC2CCC(C(=O)N3CCCC3CN)N2)cc1",
   "targets": [
    "UNP:P27487"
   ]
  },
  {
   "line": 6014,
   "comp_id": "8V2",
   "ikey_connectivity": "GZPHGKMETPUDJS",
   "smiles": "COC(=O)C1CCC2C=CC3CCN(C(=O)C4CCC5C=CC6(CCCN6C(=O)C(Cc6ccccc6Cl)NC(C)=O)C(=O)N54)C3C(=O)N21",
   "targets": [
    "UNP:Q8N8S7"
   ]
  },
  {
   "line": 973,
   "comp_id": "1KT",
   "ikey_connectivity": "ODLXCGSAEOWAKV",
   "smiles": "COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1",
   "targets": [
    "UNP:Q13451"
   ]
  },
  {
   "line": 19301,
   "comp_id": "MZ4",
   "ikey_connectivity": "VEWOLYUNGFMYJI",
   "smiles": "COc1cccc(S(=O)(=O)N(Cc2cccs2)CC(O)C(Cc2ccccc2)NC(=O)c2ccc(O)c(O)c2)c1",
   "targets": [
    "UNP:P03369"
   ]
  },
  {
   "line": 11209,
   "comp_id": "AMZ",
   "ikey_connectivity": "NOTGFIUVDGNKRI",
   "smiles": "NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N",
   "targets": [
    "UNP:A0A384E0N4",
    "UNP:B5I4P8",
    "UNP:P09467",
    "UNP:P16250",
    "UNP:P27616",
    "UNP:P31335",
    "UNP:P31939",
    "UNP:P54619",
    "UNP:P9WHM7",
    "UNP:Q57600",
    "UNP:Q8U0R7"
   ]
  },
  {
   "line": 13870,
   "comp_id": "ESZ",
   "ikey_connectivity": "ICCJJRSEGGYXMX",
   "smiles": "CC12CCC3c4ccc(O)cc4CCC3C1CC(Br)C2O",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 9135,
   "comp_id": "A1EL1",
   "ikey_connectivity": "XNBPELUUEBZQEC",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC2C(CC(N)CCC(N)C(=O)O)OC(n3cnc4c(N)ncnc43)C2O)C(O)C1O",
   "targets": [
    "UNP:A5I3U9"
   ]
  },
  {
   "line": 6534,
   "comp_id": "9JZ",
   "ikey_connectivity": "HNXBUVYVPBCESY",
   "smiles": "CNC(C)C(=O)NC(C(=O)N1CCC(C)C1C(=O)Nc1ccccc1-c1ncccn1)C1CCCCC1",
   "targets": [
    "UNP:P98170"
   ]
  },
  {
   "line": 3287,
   "comp_id": "55Q",
   "ikey_connectivity": "POBZYODNVHQLFG",
   "smiles": "CCC(C)C(NC(=O)C1CCCCN1C)C(=O)N(C)C(CC(OC(C)=O)c1nc(C(=O)NC(Cc2ccccc2)CC(C)C(=O)O)cs1)C(C)C",
   "targets": [
    "UNP:A0A8V0Z8P0",
    "UNP:P02554",
    "UNP:P63043",
    "UNP:Q2XVP4"
   ]
  },
  {
   "line": 25761,
   "comp_id": "WX5",
   "ikey_connectivity": "LWHZTVPXBHYWTP",
   "smiles": "N=C(N)NCCCC(NS(=O)(=O)Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1cc(Cl)ccc1CO",
   "targets": [
    "UNP:P00734",
    "UNP:P09945"
   ]
  },
  {
   "line": 1276,
   "comp_id": "20T",
   "ikey_connectivity": "MBKCNGJHWVWHDL",
   "smiles": "O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cnc2c(cnn2C2OC(COP(=O)(O)O)C(O)C2O)c1",
   "targets": [
    "UNP:P43490"
   ]
  },
  {
   "line": 17274,
   "comp_id": "JTP",
   "ikey_connectivity": "LNQWELVSNCYKDU",
   "smiles": "CC(C)(NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1ccccc1-3)C(=O)O",
   "targets": [
    "UNP:P26663"
   ]
  },
  {
   "line": 12493,
   "comp_id": "CQ8",
   "ikey_connectivity": "OYYNQAPQYQZOFQ",
   "smiles": "CNC(=O)c1ccccc1Nc1cc(NC2CCOCC2)ncc1Cl",
   "targets": [
    "UNP:P28482"
   ]
  },
  {
   "line": 4878,
   "comp_id": "7BN",
   "ikey_connectivity": "AWGVVHYVQYXEMI",
   "smiles": "CC(=O)NC1C(O)CC(C(=O)O)(n2cc(CCC(=O)NCCC3OC(CO)C(O)C(O)C3O)nn2)OC1C(O)C(O)CO",
   "targets": [
    "UNP:P01556",
    "UNP:Q57193"
   ]
  },
  {
   "line": 21921,
   "comp_id": "QYJ",
   "ikey_connectivity": "HULQKGAWTDMSSA",
   "smiles": "O=C(Nc1ccc(C(=O)NC2c3cccc(O)c3CC2C(=O)O)cc1)NC1CC1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 19405,
   "comp_id": "N49",
   "ikey_connectivity": "LMYMWXJBPLXESU",
   "smiles": "CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(-c2cn(C)c(=O)c3ccccc23)c1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 25669,
   "comp_id": "WRT",
   "ikey_connectivity": "",
   "smiles": "O=C1[O-]->[Tb+3]23456<-[O-]C(=O)c7cccc(C[N]->28CC[N]->3(CCCO)CC[N]->4(Cc2cccc1[n]->52)CC8)[n]->67",
   "targets": [
    "UNP:P00698"
   ]
  },
  {
   "line": 3875,
   "comp_id": "5XZ",
   "ikey_connectivity": "JGTIIKRXHSZCBG",
   "smiles": "O=C(Cc1ccccc1)Nc1nnc(OC2CCN(c3nnc(NC(=O)Cc4ccccc4)s3)C2)s1",
   "targets": [
    "UNP:O94925"
   ]
  },
  {
   "line": 10952,
   "comp_id": "A5B",
   "ikey_connectivity": "ZLHFILGSQDJULK",
   "smiles": "COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O",
   "targets": [
    "UNP:P29317"
   ]
  },
  {
   "line": 6,
   "comp_id": "00J",
   "ikey_connectivity": "LGXVKMDGSIWEHL",
   "smiles": "CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCN5CCOCC5)ccc34)ccc12",
   "targets": [
    "UNP:P35968"
   ]
  },
  {
   "line": 17182,
   "comp_id": "JPP",
   "ikey_connectivity": "CJYMHKMECTVNSA",
   "smiles": "CCN1CCN(C(=O)NC(C(=O)NC(C=O)C2NC(C(=O)O)C(C)(C)S2)c2ccccc2)C(=O)C1=O",
   "targets": [
    "UNP:F2Z7K9",
    "UNP:G3XD46",
    "UNP:P0AD68"
   ]
  },
  {
   "line": 25714,
   "comp_id": "WU5",
   "ikey_connectivity": "YECICDGDDQGLJC",
   "smiles": "CC(CCC(=O)CF)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C",
   "targets": [
    "UNP:A0A833FHE1"
   ]
  },
  {
   "line": 21359,
   "comp_id": "Q6L",
   "ikey_connectivity": "ULGXMGDBVFOYRY",
   "smiles": "CC(C=CC=C(C)C=CC1C(C)=CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)CCC1=C(C)CC(O)CC1(C)C",
   "targets": [
    "UNP:A0A090LYE8",
    "UNP:A0A090M1L8",
    "UNP:A0A090M7B0",
    "UNP:A0A090N3J0",
    "UNP:A0A096P8E8",
    "UNP:A0A096P9N0",
    "UNP:A0A096PAU9",
    "UNP:A0A096PB86",
    "UNP:A0A1Y5IA87",
    "UNP:A0AA97PZ45",
    "UNP:A0AA97PZG2",
    "UNP:Q019T9",
    "UNP:Q01B61",
    "UNP:Q01DV3",
    "UNP:Q0P3J4",
    "UNP:Q0P3J8",
    "UNP:Q0P3K0",
    "UNP:Q0P3K1",
    "UNP:Q0P3K2",
    "UNP:Q0P3P1",
    "UNP:Q3B9U5",
    "UNP:Q3B9U6",
    "UNP:Q3B9U7"
   ]
  },
  {
   "line": 13750,
   "comp_id": "EMT",
   "ikey_connectivity": "",
   "smiles": "C[CH-][Hg]<-[S-]c1ccccc1C(=O)[O-]",
   "targets": [
    "UNP:O53223",
    "UNP:Q01738",
    "UNP:Q15652",
    "UNP:Q29551",
    "UNP:Q9X180"
   ]
  },
  {
   "line": 6896,
   "comp_id": "A0V",
   "ikey_connectivity": "AEBNZGMSDDIREX",
   "smiles": "O=C(O)c1cn(CB(O)OP(=O)(O)O)nn1",
   "targets": [
    "UNP:Q6DRA1"
   ]
  },
  {
   "line": 7044,
   "comp_id": "A1A75",
   "ikey_connectivity": "WMHUPEMJXQCZKY",
   "smiles": "CC(C)(C)C1CCC(CO)N(c2ncnc3[nH]ccc23)C1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 27435,
   "comp_id": "ZD3",
   "ikey_connectivity": "BWADWGMLGZVJNC",
   "smiles": "Cc1ccc2nc(C(F)(F)F)cc(N3CCNC(CO)C3)c2c1",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 25318,
   "comp_id": "W9F",
   "ikey_connectivity": "VFBNGIYTHHJIJA",
   "smiles": "CC1(c2ccc(Cl)c(Cl)c2)C(=O)NC(=S)NC1=O",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 12381,
   "comp_id": "CJX",
   "ikey_connectivity": "NZCOZAMBHLSNDW",
   "smiles": "NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O",
   "targets": [
    "UNP:Q6L737"
   ]
  },
  {
   "line": 2057,
   "comp_id": "38B",
   "ikey_connectivity": "XCLPDGVIHJQQOR",
   "smiles": "COc1ccccc1-c1noc2nc(C)[nH]c(=O)c12",
   "targets": [
    "UNP:B0Y2Y2"
   ]
  },
  {
   "line": 3154,
   "comp_id": "4YR",
   "ikey_connectivity": "ZKLQWWOVTJLLRS",
   "smiles": "O=C(NC1CCN(CC2CC2)C1)c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F",
   "targets": [
    "UNP:P09874"
   ]
  },
  {
   "line": 5109,
   "comp_id": "7LS",
   "ikey_connectivity": "GFASNZAXNSUSSV",
   "smiles": "O=c1c2ccccc2[nH]c2ccc(Nc3ccn(C4OC(CO)C(O)C(O)C4O)c(=O)n3)cc12",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 17355,
   "comp_id": "JXA",
   "ikey_connectivity": "QVWPLFTVMWIDFF",
   "smiles": "OC1CNC(Cn2cc(-c3cc(Cl)cc(Cl)c3)nn2)C1O",
   "targets": [
    "UNP:P04062"
   ]
  },
  {
   "line": 25903,
   "comp_id": "X40",
   "ikey_connectivity": "ZDFKJVWFYGHALK",
   "smiles": "Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1cccnc1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 3223,
   "comp_id": "52B",
   "ikey_connectivity": "ZFKBWSREWJOSSJ",
   "smiles": "O=C(O)C1=Cc2cc(Cl)cc(Cl)c2OC1C(F)(F)F",
   "targets": [
    "UNP:Q05769"
   ]
  },
  {
   "line": 7372,
   "comp_id": "A1ANV",
   "ikey_connectivity": "MVEPBFBWMFRKHV",
   "smiles": "CC(C)C(Nc1ncnc2[nH]c(S(C)(=O)=O)cc12)c1ccc2c(c1)S(=O)(=O)CCC2",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 11566,
   "comp_id": "B7K",
   "ikey_connectivity": "KGLWYCXNVRPKIE",
   "smiles": "C=CC(=O)N1CCC(n2cc(C3=Nc4c(C#N)cnn4C(=O)C3C(C)C)cn2)CC1",
   "targets": [
    "UNP:Q9UGL1"
   ]
  },
  {
   "line": 2342,
   "comp_id": "3PO",
   "ikey_connectivity": "UNXRWKVEANCORM",
   "smiles": "O=P(O)(O)OP(=O)(O)OP(=O)(O)O",
   "targets": [
    "UNP:A0A0S4TKQ5",
    "UNP:B2UM52",
    "UNP:P03311",
    "UNP:P04896",
    "UNP:P05769",
    "UNP:P25500",
    "UNP:P26769",
    "UNP:P30803",
    "UNP:P30871",
    "UNP:P40046",
    "UNP:P47075",
    "UNP:P9WP99",
    "UNP:Q02725",
    "UNP:Q4E2I1",
    "UNP:Q4JAT2",
    "UNP:Q50EJ2",
    "UNP:Q58605",
    "UNP:Q5FAC0",
    "UNP:Q8A443",
    "UNP:Q8KE09",
    "UNP:Q96EY8",
    "UNP:Q9BU02",
    "UNP:Q9K5E4",
    "UNP:Q9RX98",
    "UNP:Q9RY20",
    "UNP:Q9SIY3",
    "UNP:Q9Y3Z3",
    "UNP:X2KZJ9"
   ]
  },
  {
   "line": 27116,
   "comp_id": "YNU",
   "ikey_connectivity": "JUKPWJGBANNWMW",
   "smiles": "COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC24CCC(=O)O4)C13",
   "targets": [
    "UNP:P08235",
    "UNP:Q15788"
   ]
  },
  {
   "line": 22848,
   "comp_id": "S97",
   "ikey_connectivity": "WRRLIUHCTMZNNL",
   "smiles": "Cc1cc(N)nc(CCc2cc(CN)cc(CCc3ccc4cc[nH]c4n3)c2)c1",
   "targets": [
    "UNP:O34453"
   ]
  },
  {
   "line": 12734,
   "comp_id": "D49",
   "ikey_connectivity": "QQYJHKTWHJAQJJ",
   "smiles": "O=C(O)c1ccc2[nH]c(-c3ccc(OCC(O)CCOc4ccc(-c5nc6ccc(C(=O)O)cc6[nH]5)cc4)cc3)nc2c1",
   "targets": [
    "UNP:P00383"
   ]
  },
  {
   "line": 22179,
   "comp_id": "RA1",
   "ikey_connectivity": "RYNWTIXQTVFOEO",
   "smiles": "NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 2869,
   "comp_id": "4I1",
   "ikey_connectivity": "CNVZJPUDSLNTQU",
   "smiles": "CCCCCCCCCCCC=CCCCCC(=O)O",
   "targets": [
    "UNP:A0A0U1MWF9",
    "UNP:P05413",
    "UNP:Q5U3C3"
   ]
  },
  {
   "line": 1130,
   "comp_id": "1T1",
   "ikey_connectivity": "SWOLRYFPKWBFHG",
   "smiles": "CCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:B1XKC6"
   ]
  },
  {
   "line": 598,
   "comp_id": "114",
   "ikey_connectivity": "BOZILQFLQYBIIY",
   "smiles": "CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C21",
   "targets": [
    "UNP:P04035",
    "UNP:P18326"
   ]
  },
  {
   "line": 20006,
   "comp_id": "O42",
   "ikey_connectivity": "TXDAONSRHLRCLF",
   "smiles": "NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 26392,
   "comp_id": "XSS",
   "ikey_connectivity": "OJOOKWRLZOVJGU",
   "smiles": "COc1ccc2nc(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6(C)CC6)CC5C=CCCCCCC(NC(=O)OC(C)(C)C(F)(F)F)C(=O)N4C3)c(C(F)(F)F)nc2c1",
   "targets": [
    "UNP:A0A0B4WYC6"
   ]
  },
  {
   "line": 4581,
   "comp_id": "6XF",
   "ikey_connectivity": "QZJNXTJRNWXSBP",
   "smiles": "COc1ccc(-c2noc(CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1",
   "targets": [
    "UNP:P9WPN8"
   ]
  },
  {
   "line": 6664,
   "comp_id": "9PN",
   "ikey_connectivity": "KBNJHYMTJQZFJJ",
   "smiles": "OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(n4cc(CCC[n+]5ccccc5)nn4)C3O)C2O)C(O)C(O)C1O",
   "targets": [
    "UNP:Q06135"
   ]
  },
  {
   "line": 18031,
   "comp_id": "KW5",
   "ikey_connectivity": "ANTNWJRSPNQTEF",
   "smiles": "CC1CCCN(S(=O)(=O)c2cc(NC(=O)CN3C(=O)CNC3=O)ccc2Br)C1",
   "targets": [
    "UNP:Q6PL18"
   ]
  },
  {
   "line": 19499,
   "comp_id": "N90",
   "ikey_connectivity": "DERZBLKQOCDDDZ",
   "smiles": "C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1",
   "targets": [
    "UNP:P54284",
    "UNP:P54289",
    "UNP:Q01668"
   ]
  },
  {
   "line": 11879,
   "comp_id": "BPX",
   "ikey_connectivity": "CGGNZMVODZPHHK",
   "smiles": "O=C(O)C(Cc1ccccc1)CC(O)(O)C[N+](=O)[O-]",
   "targets": [
    "UNP:P00730"
   ]
  },
  {
   "line": 17921,
   "comp_id": "KR7",
   "ikey_connectivity": "LTSUMTMGJHPGFX",
   "smiles": "O=C(O)Cc1ccc(Cc2cc(-c3cccc(Cl)c3)nc(C(F)(F)F)c2)cc1",
   "targets": [
    "UNP:Q08499"
   ]
  },
  {
   "line": 18477,
   "comp_id": "LJG",
   "ikey_connectivity": "BMXYVKCLBAGXOY",
   "smiles": "CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1",
   "targets": [
    "UNP:P03366",
    "UNP:P04587"
   ]
  },
  {
   "line": 7469,
   "comp_id": "A1AS6",
   "ikey_connectivity": "VBUCAAQVTLWTNJ",
   "smiles": "NCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cc(NS(=O)(=O)c5ccc(Cl)s5)ccc4o3)cc2)cc1",
   "targets": [
    "UNP:P0A6F5"
   ]
  },
  {
   "line": 2580,
   "comp_id": "422",
   "ikey_connectivity": "WBKUBPBCFYCSRT",
   "smiles": "N#Cc1ccc2c(-c3cc4cc(CN5CCC(CN)CC5)ccc4[nH]3)n[nH]c2c1",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 7765,
   "comp_id": "A1B7Q",
   "ikey_connectivity": "IAZCUJGKQOHEPZ",
   "smiles": "C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCN(C(=O)C(F)Cc6nccs6)CC5)nc(OCC56CCCN5CC(F)C6)nc4c3F)c12",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 6015,
   "comp_id": "8V5",
   "ikey_connectivity": "SEWMPRFPDFLTDN",
   "smiles": "NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCOCC3)o2)s1",
   "targets": [
    "UNP:P00918",
    "UNP:P00921"
   ]
  },
  {
   "line": 2562,
   "comp_id": "415",
   "ikey_connectivity": "UCQXABGZXQUVHG",
   "smiles": "COc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1",
   "targets": [
    "UNP:Q38C91"
   ]
  },
  {
   "line": 9411,
   "comp_id": "A1H4K",
   "ikey_connectivity": "WZTIBBQJLYUYSO",
   "smiles": "Nc1ccnc2c1N=C(C(=O)Nc1cccnc1)C2",
   "targets": [
    "UNP:Q06124"
   ]
  },
  {
   "line": 15735,
   "comp_id": "HKS",
   "ikey_connectivity": "SXISMOAILJWTID",
   "smiles": "NC(CSc1cc(CC(N)C(=O)O)cc(O)c1O)C(=O)O",
   "targets": [
    "UNP:Q88QV5"
   ]
  },
  {
   "line": 1667,
   "comp_id": "2NE",
   "ikey_connectivity": "YTKKDFTVSNSVEE",
   "smiles": "CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O",
   "targets": [
    "UNP:P73495",
    "UNP:P9WNP5"
   ]
  },
  {
   "line": 14538,
   "comp_id": "FTX",
   "ikey_connectivity": "FTUNSSCAXJNFIZ",
   "smiles": "COc1cc2c(cc1OC)C(Cc1c[nH]c3c(Cl)cccc13)N(C=O)CC2",
   "targets": [
    "UNP:Q08499"
   ]
  },
  {
   "line": 18496,
   "comp_id": "LK8",
   "ikey_connectivity": "SGDYSAAUPQPUSM",
   "smiles": "CNC(=O)C1CCCN1C(=O)c1ccc(Cl)c(COc2cccc3c(C(F)(F)F)cc(C)nc23)c1Cl",
   "targets": [
    "UNP:P51449"
   ]
  },
  {
   "line": 14325,
   "comp_id": "FII",
   "ikey_connectivity": "JAOBYUCYSAOLHS",
   "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCONC(=O)CP(=O)(O)O",
   "targets": [
    "UNP:J9VSJ6",
    "UNP:P01116",
    "UNP:P49354",
    "UNP:P49356",
    "UNP:Q02293",
    "UNP:Q04631",
    "UNP:Q4WP27",
    "UNP:Q4WPS9",
    "UNP:T2BPA1"
   ]
  },
  {
   "line": 11034,
   "comp_id": "A9V",
   "ikey_connectivity": "JEPZJYPEDPLQFU",
   "smiles": "OCCC(O)c1cccc(OCC2CCCCC2)c1",
   "targets": [
    "UNP:Q28175"
   ]
  },
  {
   "line": 18945,
   "comp_id": "M9T",
   "ikey_connectivity": "MFVOIPKDSOFMQO",
   "smiles": "COc1ccc(Nc2ncc3c(n2)n(C2CCC(O)CC2)c(=O)n3C)c(C)c1",
   "targets": [
    "UNP:P07333"
   ]
  },
  {
   "line": 4771,
   "comp_id": "76Q",
   "ikey_connectivity": "XXIAQHKXGSSEJL",
   "smiles": "CNCCCCc1c(-c2cc(C)cc(C)c2)cnc2ccc(-c3cncc(O)c3)cc12",
   "targets": [
    "UNP:Q9NWZ3"
   ]
  },
  {
   "line": 17263,
   "comp_id": "JT4",
   "ikey_connectivity": "PGEVTSPIPOQOQQ",
   "smiles": "COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1",
   "targets": [
    "UNP:A0A024X378"
   ]
  },
  {
   "line": 7130,
   "comp_id": "A1ABY",
   "ikey_connectivity": "FEMVTOSQVHQYPQ",
   "smiles": "CC(=O)N1CC(Oc2ccccn2)C2CC1CCC2O",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 6186,
   "comp_id": "92V",
   "ikey_connectivity": "JVRFSWXFNVLIFF",
   "smiles": "COc1ccc(-n2ncc(C(=O)NCCCS)c2C(F)(F)F)cc1",
   "targets": [
    "UNP:P01112",
    "UNP:P01116"
   ]
  },
  {
   "line": 15198,
   "comp_id": "GRA",
   "ikey_connectivity": "SYKWLIJQEHRDNH",
   "smiles": "CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O",
   "targets": [
    "UNP:C3UVB0",
    "UNP:Q7CTU0"
   ]
  },
  {
   "line": 26553,
   "comp_id": "Y10",
   "ikey_connectivity": "XTHOIFAGDPGJPZ",
   "smiles": "COC(C(=O)NC1Cc2ccccc2C1)C(O)C(O)C(O)C=CC(C)(C)C",
   "targets": [
    "UNP:P53582",
    "UNP:P9WK19"
   ]
  },
  {
   "line": 21059,
   "comp_id": "POT",
   "ikey_connectivity": "YEIXDWIEYXZUBR",
   "smiles": "CCC(COc1ccccc1)OP(C)(=O)Cl",
   "targets": [
    "UNP:P22088"
   ]
  },
  {
   "line": 25269,
   "comp_id": "W78",
   "ikey_connectivity": "DAWAAQFAHQWLHI",
   "smiles": "Nc1ncnc2c1ncn2C1OC2COP(=O)(S)OC3C(O)C(COP(=O)(S)OC2C1F)OC3n1cnc2c(=O)[nH]ncc21",
   "targets": [
    "UNP:Q86WV6"
   ]
  },
  {
   "line": 8857,
   "comp_id": "A1D8M",
   "ikey_connectivity": "LRXRIKVDAVVQCP",
   "smiles": "CCC(Oc1ccc(C(=O)C2CC2)cc1)c1nc(-c2ccc(C(=O)NC(C)CO)c(F)c2)no1",
   "targets": [
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63092",
    "UNP:Q8TDV5"
   ]
  },
  {
   "line": 26498,
   "comp_id": "XY2",
   "ikey_connectivity": "YSVJZZZGPPWEIC",
   "smiles": "CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])c2nonc12",
   "targets": [
    "UNP:P01112"
   ]
  },
  {
   "line": 9675,
   "comp_id": "A1IBP",
   "ikey_connectivity": "FNCHZOWWNSAAOH",
   "smiles": "CN(CC(N)c1ccccc1)S(=O)(=O)c1cc(F)cc(F)c1",
   "targets": [
    "UNP:P04062"
   ]
  },
  {
   "line": 14003,
   "comp_id": "F0K",
   "ikey_connectivity": "JYEQLXOWWLNVDX",
   "smiles": "Cn1cnc(Cn2ccc3ccc(CNCc4[nH]c5ccccc5c4C4NC(=O)c5ccc(O)cc54)cc32)c1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 241,
   "comp_id": "0GX",
   "ikey_connectivity": "SZKGHXMOYDKXPX",
   "smiles": "CCCOc1sc(C(=O)N2C3CCC2CC(c2cc(CN)ccc2F)C3)c(C)c1Br",
   "targets": [
    "UNP:P20231"
   ]
  },
  {
   "line": 26434,
   "comp_id": "XUX",
   "ikey_connectivity": "PCCLEZGTWJCUIH",
   "smiles": "Cn1c(C#N)cnc1COc1cc(Cl)c(C#N)cc1C(C)(C)C",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 10800,
   "comp_id": "A1LX3",
   "ikey_connectivity": "QSLMDECMDJKHMQ",
   "smiles": "CNCCCC12CCC(c3ccccc31)c1ccccc12",
   "targets": [
    "UNP:P23975"
   ]
  },
  {
   "line": 23724,
   "comp_id": "TQX",
   "ikey_connectivity": "FPVPQIOUSAJQDM",
   "smiles": "Cc1nc2ccccc2c(-c2cc(F)c3c(c2C)CCCO3)c1C(OC(C)(C)C)C(=O)O",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 22002,
   "comp_id": "R21",
   "ikey_connectivity": "MALIONKMKPITBV",
   "smiles": "NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 22893,
   "comp_id": "SBQ",
   "ikey_connectivity": "PDLRSZVVAYSCAH",
   "smiles": "COC(=O)c1cccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(Cl)c2)c1",
   "targets": [
    "UNP:P08191"
   ]
  },
  {
   "line": 24233,
   "comp_id": "UJU",
   "ikey_connectivity": "XHHXGKRFUPEPFM",
   "smiles": "CCc1[nH]nc(C(=O)Nc2ccc(C3CNCCO3)cc2)c1C",
   "targets": [
    "UNP:P0ABE7",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63092",
    "UNP:P63096",
    "UNP:Q5JWF2",
    "UNP:Q96RJ0"
   ]
  },
  {
   "line": 21302,
   "comp_id": "Q3B",
   "ikey_connectivity": "ABVBWRLOEHXZBY",
   "smiles": "COc1ccc(NC(=O)Nc2cccc(-c3ncn(CC4CCCO4)c3-c3nc4c(N)ncnc4s3)c2)cc1",
   "targets": [
    "UNP:P34913"
   ]
  },
  {
   "line": 22543,
   "comp_id": "RTO",
   "ikey_connectivity": "DBABZHXKTCFAPX",
   "smiles": "CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1",
   "targets": [
    "UNP:O35956",
    "UNP:Q4U2R8",
    "UNP:Q63120",
    "UNP:Q9WUD2"
   ]
  },
  {
   "line": 18465,
   "comp_id": "LIQ",
   "ikey_connectivity": "IOTPZWJUHSYLHJ",
   "smiles": "CCCCCS(=O)(=O)CC(NC(=O)c1cccnc1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNCc1cccc(CC)c1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 20220,
   "comp_id": "ODP",
   "ikey_connectivity": "PIXSDSMVQQICPA",
   "smiles": "NC(=O)C1C=[N+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1=O",
   "targets": [
    "UNP:P9WIQ3"
   ]
  },
  {
   "line": 19245,
   "comp_id": "MVS",
   "ikey_connectivity": "BLWQIEISIMYCHD",
   "smiles": "COc1cc(Nc2ccnc3cc(C#N)ccc23)cc(OC)c1OC",
   "targets": [
    "UNP:Q8NI60"
   ]
  },
  {
   "line": 16905,
   "comp_id": "JBV",
   "ikey_connectivity": "CWMLTXRCWAKBSJ",
   "smiles": "Cc1ncc(C)n2nc(CCc3nc(N4CCC(C(F)F)C4)nn3C)nc12",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 26364,
   "comp_id": "XRA",
   "ikey_connectivity": "IENZQIKPVFGBNW",
   "smiles": "COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC",
   "targets": [
    "UNP:P16083"
   ]
  },
  {
   "line": 7240,
   "comp_id": "A1AGV",
   "ikey_connectivity": "QOJHUOHZVTVTCS",
   "smiles": "CC(C)CC(NC(=O)OCC1CC(=O)N(CC2CC3C=CC2C3)C1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O",
   "targets": [
    "UNP:K9N7C7"
   ]
  },
  {
   "line": 5115,
   "comp_id": "7M0",
   "ikey_connectivity": "DULRVLLMOREPRG",
   "smiles": "Brc1cc2nn[nH]c2cc1Br",
   "targets": [
    "UNP:P19784",
    "UNP:P28523",
    "UNP:P68400"
   ]
  },
  {
   "line": 12411,
   "comp_id": "CL3",
   "ikey_connectivity": "ALBWBHNFOJJMCV",
   "smiles": "CC(=O)N(C)c1cccc(-c2nnc3ccc(-c4ccccc4)nn23)c1",
   "targets": [
    "UNP:P77173"
   ]
  },
  {
   "line": 1715,
   "comp_id": "2QK",
   "ikey_connectivity": "XEADJJXUBNVGAN",
   "smiles": "CCC(NC(=O)c1ccc2[nH]nc(-c3ccc(OC4CCN(C)CC4)cc3)c2c1)c1ccccc1Cl",
   "targets": [
    "UNP:P33981"
   ]
  },
  {
   "line": 10488,
   "comp_id": "A1JU3",
   "ikey_connectivity": "GAQBENBCMLVYGK",
   "smiles": "CC1(O)CNCCN(c2nc(OCC34CCCN3CC(F)C4)nc3c(F)c(-c4cc(O)cc5cccc(Cl)c45)c(F)cc23)C1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 3799,
   "comp_id": "5U8",
   "ikey_connectivity": "NLGUSOLKPNWPKR",
   "smiles": "CN(CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1)Cc1ccc(F)cc1",
   "targets": [
    "UNP:O75164"
   ]
  },
  {
   "line": 1661,
   "comp_id": "2MV",
   "ikey_connectivity": "CDTXSCLKUNDXBZ",
   "smiles": "C=C1C(=CC=C2CCCC3(C)C2CCC3C2(C)CC(CC(C)(C)O)CO2)CC(O)C(C)C1O",
   "targets": [
    "UNP:P11473"
   ]
  },
  {
   "line": 495,
   "comp_id": "0V4",
   "ikey_connectivity": "ZKINNMSFCCOPQI",
   "smiles": "COCC1CCC2C1=CC1(C)CCC(C(C)C)=C1C(OC1OC(CO)C(O)C(O)C1O)C(O)C2C",
   "targets": [
    "UNP:P31947",
    "UNP:Q04206",
    "UNP:Q9NPC2"
   ]
  },
  {
   "line": 22168,
   "comp_id": "R9E",
   "ikey_connectivity": "KXCZEZCRICVIKU",
   "smiles": "COc1cc2c(NC(=O)Cc3cccc(Cl)c3)cncc2cc1F",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 1325,
   "comp_id": "22X",
   "ikey_connectivity": "PPGUIDOUTGLYCO",
   "smiles": "CNCC(CC1CCCCC1)NC(=O)N1CCCC(C(O)(CCCNC(C)=O)c2cccc(Cl)c2)C1",
   "targets": [
    "UNP:P00797"
   ]
  },
  {
   "line": 25804,
   "comp_id": "WYI",
   "ikey_connectivity": "GBYIGABHIVTTLD",
   "smiles": "Cn1nc(Nc2nc(NC(COC(=O)N3CCOC(CN)C3)c3ccccc3)nc3[nH]ncc23)cc1C(C)(C)C",
   "targets": [
    "UNP:Q9HW02"
   ]
  },
  {
   "line": 697,
   "comp_id": "16S",
   "ikey_connectivity": "SRNPMQHYWVKBAV",
   "smiles": "O=c1cc(-c2ccc(O)c(O)c2)oc2ccccc12",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 6956,
   "comp_id": "A1A1Y",
   "ikey_connectivity": "JAQKIQJBWFVAMC",
   "smiles": "Nc1nc2cc(CCNC(=O)C3CCN3C(=O)C3CC(c4ccccc4)CCN3)ccc2[nH]1",
   "targets": [
    "UNP:O00187"
   ]
  },
  {
   "line": 24518,
   "comp_id": "UZ6",
   "ikey_connectivity": "NLIDPGPXZZCUQI",
   "smiles": "CCNC(=O)NCC1OC(n2c(C#CCN(CCCN)CC3OC(n4cnc5c(N)ncnc54)C(O)C3O)nc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q8Y8D7"
   ]
  },
  {
   "line": 24420,
   "comp_id": "UU6",
   "ikey_connectivity": "JCQABEJXHUSDMF",
   "smiles": "CC(C)(O)C1CCN(c2cc(-n3ncc4ccc(C5(C#N)CC56CC6)cc43)ncn2)C1",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 21145,
   "comp_id": "PUS",
   "ikey_connectivity": "LKTMSPZJJUSLRR",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(C=NC(CONC(N)=O)C(=O)O)c1O",
   "targets": [
    "UNP:D2Z027"
   ]
  },
  {
   "line": 15223,
   "comp_id": "GSN",
   "ikey_connectivity": "HYHSBSXUHZOYLX",
   "smiles": "NC(CCC(=O)NC(CSN=O)C(=O)NCC(=O)[O-])C(=O)[O-]",
   "targets": [
    "UNP:P08263",
    "UNP:P09211"
   ]
  },
  {
   "line": 24907,
   "comp_id": "VJ8",
   "ikey_connectivity": "ZYFFWDLDVKYDIX",
   "smiles": "CCC(=O)NCCNC(=O)OC1C(COP(=O)(O)OP(=O)(O)O)OC(n2cnc3c(=O)[nH]c(N)nc32)C1O",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 1546,
   "comp_id": "2FC",
   "ikey_connectivity": "QTWWLOSRVGQGNN",
   "smiles": "CN1CCN(C(=O)Nc2ccc3c(c2)C(NC(=O)c2ccccc2)CCC3)CC1",
   "targets": [
    "UNP:P25774"
   ]
  },
  {
   "line": 7858,
   "comp_id": "A1BCZ",
   "ikey_connectivity": "QDTAROKXABZFSB",
   "smiles": "COc1cccc2[nH]c(C(=O)NC(CC3CC3)C(=O)NC(C=N)CC3CCNC3=O)cc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 17248,
   "comp_id": "JSD",
   "ikey_connectivity": "",
   "smiles": "CC1(C)SC(CNC(=O)CCC(=O)[C]23->[Ru]456789%10([C]%11=[C]4[C-]5[C]6=[C]%117)[C](=[C]28)[C-]9[C]=3%10)NC1C(=O)O",
   "targets": [
    "UNP:Q9L5C7"
   ]
  },
  {
   "line": 16593,
   "comp_id": "IXF",
   "ikey_connectivity": "CRSDIJKYSOUKQH",
   "smiles": "CC(C)c1ccc(N(C)c2cnc3nc(N)nc(N)c3c2)cc1",
   "targets": [
    "UNP:P00374",
    "UNP:P16184"
   ]
  },
  {
   "line": 14618,
   "comp_id": "FYG",
   "ikey_connectivity": "NDCUAPJVLWFHHB",
   "smiles": "NC(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O",
   "targets": [
    "UNP:A0A160YKM3",
    "UNP:G3G192"
   ]
  },
  {
   "line": 16861,
   "comp_id": "J9P",
   "ikey_connectivity": "CNWGPXZGIIOYDL",
   "smiles": "CCCCC(C)(O)CC=CC1C(O)CC(=O)C1CCCCCCC(=O)O",
   "targets": [
    "UNP:P00720",
    "UNP:P43115"
   ]
  },
  {
   "line": 13035,
   "comp_id": "DM5",
   "ikey_connectivity": "XDXDZDZNSLXDNA",
   "smiles": "CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1ccccc1C3=O",
   "targets": [
    "UNP:Q9AMP1"
   ]
  },
  {
   "line": 13045,
   "comp_id": "DN6",
   "ikey_connectivity": "DVYVZPGHRBVPAG",
   "smiles": "O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cccc(C(F)(F)F)c1",
   "targets": [
    "UNP:Q9L5C8"
   ]
  },
  {
   "line": 7167,
   "comp_id": "A1ADG",
   "ikey_connectivity": "JEYCTXHKTXCGPB",
   "smiles": "Cc1ccccc1-n1c(C)nc2ccccc2c1=O",
   "targets": [
    "UNP:P14867",
    "UNP:P18507",
    "UNP:P47870"
   ]
  },
  {
   "line": 20487,
   "comp_id": "OSR",
   "ikey_connectivity": "ZFXGQLLQQPADFS",
   "smiles": "CCC(C)C1C(=O)N(Cc2ccc(OC)c3ccccc23)CC2N(C(=O)NCc3ccc(Br)cc3)CCC(=O)N12",
   "targets": [
    "UNP:Q16740"
   ]
  },
  {
   "line": 4747,
   "comp_id": "75T",
   "ikey_connectivity": "ABQOLQKFNLZDIM",
   "smiles": "Cc1ncccc1COc1ccc(-c2cccc(C3CCNCC3)c2)cc1",
   "targets": [
    "UNP:Q9UVX3"
   ]
  },
  {
   "line": 14572,
   "comp_id": "FVZ",
   "ikey_connectivity": "CKNIHKIYCHYOOG",
   "smiles": "O=C(O)CCC(NC(=O)NC(CCCC(=O)Nc1ccc(F)cc1)C(=O)O)C(=O)O",
   "targets": [
    "UNP:Q04609"
   ]
  },
  {
   "line": 25964,
   "comp_id": "X74",
   "ikey_connectivity": "XDOKSTKEPWQDPB",
   "smiles": "CC(C)(C)OC(=O)NC(CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)Cc1cccc2ccccc12",
   "targets": [
    "UNP:P08684"
   ]
  },
  {
   "line": 2807,
   "comp_id": "4DZ",
   "ikey_connectivity": "BVFLHOOKHPFDCT",
   "smiles": "N#Cc1cccc(C#N)c1-c1nc2c3ccccc3c3cc(Cl)ccc3c2[nH]1",
   "targets": [
    "UNP:O14684"
   ]
  },
  {
   "line": 21537,
   "comp_id": "QG0",
   "ikey_connectivity": "TWWWWNNKPGGRSE",
   "smiles": "CCn1c(S)nnc1CNc1ccccc1Cl",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 13855,
   "comp_id": "ES8",
   "ikey_connectivity": "PLACMAVVPYGZGF",
   "smiles": "O=C(O)CON=C1c2ccccc2-c2ccccc21",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 18367,
   "comp_id": "LD9",
   "ikey_connectivity": "OMQCVWMJZNPZAM",
   "smiles": "O=C(O)Cc1coc2cc(Nc3ccccc3)ccc12",
   "targets": [
    "UNP:P0AEG4"
   ]
  },
  {
   "line": 8059,
   "comp_id": "A1BOZ",
   "ikey_connectivity": "MJMYLTAWMFARRM",
   "smiles": "Cc1cccc(CC(=O)N2CCCC(C(N)=O)C2)c1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 23113,
   "comp_id": "SPN",
   "ikey_connectivity": "GWQAMGYOEYXWJF",
   "smiles": "COC(C)(C)C(=O)CC=C(C)CCC=C(C)CCC=C(C)CCCCC(C)=CCCC(C)CCC=C(C)CCC=C(C)C",
   "targets": [
    "UNP:A8LIU2",
    "UNP:A8LQ14",
    "UNP:A8LQ15",
    "UNP:A8LQ16",
    "UNP:A8LQ17",
    "UNP:A8LQ18",
    "UNP:A8LQ33",
    "UNP:P0C0Y7",
    "UNP:P0C0Y8",
    "UNP:P0C0Y9",
    "UNP:Q3J170",
    "UNP:Q3J1A5",
    "UNP:Q3J1A6"
   ]
  },
  {
   "line": 8972,
   "comp_id": "A1E5B",
   "ikey_connectivity": "DTTJKLNXNZAVSM",
   "smiles": "CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2cncc3[nH]ccc23)n1",
   "targets": [
    "UNP:Q13535",
    "UNP:Q8WXE1"
   ]
  },
  {
   "line": 21620,
   "comp_id": "QJL",
   "ikey_connectivity": "XTRUZCCFIYMEIT",
   "smiles": "CN(C)CC(=O)NCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 10482,
   "comp_id": "A1JTR",
   "ikey_connectivity": "SQZKEEYHZISICG",
   "smiles": "O=C(Cc1ccccc1)NC1Cc2cccc(c2)CCCCCNC(=O)C(O)C(CC2CCNC2=O)NC1=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 22562,
   "comp_id": "RUZ",
   "ikey_connectivity": "YZMBOMBSTSCXHY",
   "smiles": "Nc1cc(CO)cc2ncn(C3OC(COS(=O)(=O)NC(=O)C(N)CO)C(O)C3O)c12",
   "targets": [
    "UNP:A6T6Z0"
   ]
  },
  {
   "line": 10041,
   "comp_id": "A1IU5",
   "ikey_connectivity": "NMBXMVUGPDIKRX",
   "smiles": "O=C(CCNC(=O)Nc1cc(C2CCC2)on1)Nc1ccncc1",
   "targets": [
    "UNP:Q14376"
   ]
  },
  {
   "line": 5433,
   "comp_id": "80L",
   "ikey_connectivity": "KHVDBPVTFXQMEB",
   "smiles": "O=C(O)CCNc1cc(Nc2ccc3[nH]c(=O)[nH]c3c2)c(Cl)cc1[N+](=O)[O-]",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 1543,
   "comp_id": "2F9",
   "ikey_connectivity": "OEWFGJXRSPYZTR",
   "smiles": "CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NC(COP(=O)(O)NC(CCC(=O)O)C(=O)O)C(=O)O",
   "targets": [
    "UNP:Q04609"
   ]
  },
  {
   "line": 4123,
   "comp_id": "69H",
   "ikey_connectivity": "GJZJMPMJSFDTJH",
   "smiles": "CCCCCCc1cc(O)c(Oc2ccccc2C)cc1F",
   "targets": [
    "UNP:A0A0H3HP34"
   ]
  },
  {
   "line": 11759,
   "comp_id": "BIV",
   "ikey_connectivity": "WTQXZYVWLNPNEX",
   "smiles": "C=C1C(=CC=C2CCCC3(C)C2CCC3C(CCCC(C)(C)O)CCCC(C)(C)O)CC(O)CC1O",
   "targets": [
    "UNP:Q15596",
    "UNP:Q9PTN2"
   ]
  },
  {
   "line": 3785,
   "comp_id": "5TD",
   "ikey_connectivity": "BLOJSAYUWXASOD",
   "smiles": "N#Cc1ccc(N2CCC(CCC(=O)N3CCCC3)CC2)cc1",
   "targets": [
    "UNP:P9WMC1"
   ]
  },
  {
   "line": 4356,
   "comp_id": "6LC",
   "ikey_connectivity": "FHVPFJNCKGYEAI",
   "smiles": "N=C(N)NCC=CC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q3UKX1"
   ]
  },
  {
   "line": 11443,
   "comp_id": "B15",
   "ikey_connectivity": "",
   "smiles": "NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(CN3CC(=O)[O-]->[Cu]<-[O-]C(=O)C3)cc2)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 11736,
   "comp_id": "BHV",
   "ikey_connectivity": "VGHVCBNZEGIXOJ",
   "smiles": "CC(C)=CC(=O)NCc1cc(-c2nn(CCCN3CCOCC3)c3c2CN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC3)ccc1C(F)(F)F",
   "targets": [
    "UNP:P25774"
   ]
  },
  {
   "line": 3665,
   "comp_id": "5MV",
   "ikey_connectivity": "DNTVJEMGHBIUMW",
   "smiles": "COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1",
   "targets": [
    "UNP:P00720",
    "UNP:P47871"
   ]
  },
  {
   "line": 1788,
   "comp_id": "2TX",
   "ikey_connectivity": "QYIMSPSDBYKPPY",
   "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC1OC1(C)C",
   "targets": [
    "UNP:O76054"
   ]
  },
  {
   "line": 2708,
   "comp_id": "48E",
   "ikey_connectivity": "FHKBVNPNDGIXHL",
   "smiles": "O=C(NCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)C(CO)n1cc(-c2ccccc2)nn1",
   "targets": [
    "UNP:P16442"
   ]
  },
  {
   "line": 17485,
   "comp_id": "K4C",
   "ikey_connectivity": "BPLSPMYRGHFGHI",
   "smiles": "CCCc1nc2ncnn2c(-c2ccncc2)c1C(=O)OCC",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 8732,
   "comp_id": "A1CU8",
   "ikey_connectivity": "YAUUTZDTESJUSO",
   "smiles": "CCOC(=O)CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccccc3C3CC3)cc2)n2nnnc21",
   "targets": [
    "UNP:A0A6D2YBI2",
    "UNP:P59768",
    "UNP:P62873"
   ]
  },
  {
   "line": 905,
   "comp_id": "1H6",
   "ikey_connectivity": "ALKHFUPBQSAGMS",
   "smiles": "CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)OCC1F",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 17706,
   "comp_id": "KFK",
   "ikey_connectivity": "SOXNKJCQBRQUMS",
   "smiles": "Cc1nn(C)c(C)c1CCOc1c(-c2ccc3c(c2)c(CN(C)C)nn3C)ccc(F)c1F",
   "targets": [
    "UNP:A5K1A2",
    "UNP:P30419"
   ]
  },
  {
   "line": 6246,
   "comp_id": "95O",
   "ikey_connectivity": "MHYBWRVBBIRKIQ",
   "smiles": "Cc1nnc2c(N)cc(C(=O)N3C4Cc5ccccc5C3CNC4=O)cn12",
   "targets": [
    "UNP:Q6PL18"
   ]
  },
  {
   "line": 20331,
   "comp_id": "OKI",
   "ikey_connectivity": "DZGNRZLPMHOISU",
   "smiles": "O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21",
   "targets": [
    "UNP:Q15788",
    "UNP:Q96RI1"
   ]
  },
  {
   "line": 2570,
   "comp_id": "41L",
   "ikey_connectivity": "LGOMVYVBROQGHX",
   "smiles": "O=C(Cc1ccccc1)Nn1cnc2ccccc21",
   "targets": [
    "UNP:P11838"
   ]
  },
  {
   "line": 18599,
   "comp_id": "LQ6",
   "ikey_connectivity": "PBLOKSLGZKWIQI",
   "smiles": "O=C(NCc1cccs1)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CCN1c1ccc(Cl)c(Cl)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 3740,
   "comp_id": "5RA",
   "ikey_connectivity": "MJTWJYMXCDQAOT",
   "smiles": "CN1CCCN(Cc2ccc(-c3ccc(CN4CCCN(C)CC4)cc3C#N)cc2)CC1",
   "targets": [
    "UNP:P35790"
   ]
  },
  {
   "line": 21520,
   "comp_id": "QF5",
   "ikey_connectivity": "IBEFUXAVGLACIF",
   "smiles": "O=C(Cc1ccccc1)Nc1cncc2ccccc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 8492,
   "comp_id": "A1CGZ",
   "ikey_connectivity": "GMBQZIIUCVWOCD",
   "smiles": "CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C",
   "targets": [
    "UNP:A0A5P9VSM8",
    "UNP:S5UH55"
   ]
  },
  {
   "line": 12507,
   "comp_id": "CQT",
   "ikey_connectivity": "DTCDEBDILWHQER",
   "smiles": "O=C(NCCCN1CCOCC1)c1cc(-c2nn[nH]n2)ccn1",
   "targets": [
    "UNP:Q6B0I6"
   ]
  },
  {
   "line": 23138,
   "comp_id": "SQT",
   "ikey_connectivity": "UKIJUFIFFKYHSH",
   "smiles": "N=C(N)c1ccc(N2CCN(c3ccccc3)CC2)nc1",
   "targets": [
    "UNP:P09871"
   ]
  },
  {
   "line": 12662,
   "comp_id": "D0I",
   "ikey_connectivity": "SEKWWCPJXPJZKJ",
   "smiles": "OCC1(c2ccccc2)CCN(Cc2ccccc2)C1",
   "targets": [
    "UNP:Q9ZAG3"
   ]
  },
  {
   "line": 16146,
   "comp_id": "I98",
   "ikey_connectivity": "GFJYPJDGRCZNDI",
   "smiles": "Nc1ccc(CNC(=O)c2ccc(Cl)cc2OCC(=O)O)c(F)c1",
   "targets": [
    "UNP:P15121"
   ]
  },
  {
   "line": 24874,
   "comp_id": "VHQ",
   "ikey_connectivity": "LTKFHNPECDMZIC",
   "smiles": "Cn1c(=O)ccc2cc(Nc3ccnc(Cl)c3C#N)ccc21",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 14296,
   "comp_id": "FH0",
   "ikey_connectivity": "OCSGNUMYNBZDDW",
   "smiles": "CN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccnc5)nn5c4COCC5)n3)cc2)CC1",
   "targets": [
    "UNP:Q04771"
   ]
  },
  {
   "line": 1894,
   "comp_id": "2ZL",
   "ikey_connectivity": "ZVJSGLFNUKONDD",
   "smiles": "Cc1cc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)ccc1F",
   "targets": [
    "UNP:P15917"
   ]
  },
  {
   "line": 17030,
   "comp_id": "JI1",
   "ikey_connectivity": "SJAGNBCHAAJNEQ",
   "smiles": "Nc1cccc(CC2CNCC2NCCCO)n1",
   "targets": [
    "UNP:P29476"
   ]
  },
  {
   "line": 13424,
   "comp_id": "E6N",
   "ikey_connectivity": "ZKCRNRMMYMOGBM",
   "smiles": "COc1ccccc1COc1cc(C2=NN(C3CCN(c4ccc5ncc([N+](=O)[O-])n5n4)CC3)C(=O)C3CCCCC23)ccc1OC",
   "targets": [
    "UNP:Q08499"
   ]
  },
  {
   "line": 23663,
   "comp_id": "TNN",
   "ikey_connectivity": "DJOMZYYFFHCVSQ",
   "smiles": "COc1ccc2c(c1O)C(=O)c1c3c(cc(O)c1C2=O)C12OC1(C(C)O)C(C#CC=CC#CC2O)N3",
   "targets": [
    "UNP:A0A125SA29"
   ]
  },
  {
   "line": 5911,
   "comp_id": "8P9",
   "ikey_connectivity": "GQQJZVWZPCHJLA",
   "smiles": "COc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Cl)ccc1OC",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 25398,
   "comp_id": "WDK",
   "ikey_connectivity": "TYVGHVUYGAWXBC",
   "smiles": "CN(C)CCCNC(=O)CC(Cc1ccc(F)cc1)NC(=O)C(Cc1ccc(Cl)cc1Cl)NC(=O)C(N)Cc1ccccc1C#N",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 3054,
   "comp_id": "4TL",
   "ikey_connectivity": "WUJRZUJJQZMYBN",
   "smiles": "CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1",
   "targets": [
    "UNP:A0A0L7M119",
    "UNP:O96935"
   ]
  },
  {
   "line": 26887,
   "comp_id": "YFC",
   "ikey_connectivity": "HDRZEYNYUNDCGE",
   "smiles": "Cc1ccc(C(=O)CN2C(=O)CSc3ccc(C(O)=C4C(=O)CCCC4=O)cc32)cc1",
   "targets": [
    "UNP:P93836"
   ]
  },
  {
   "line": 11191,
   "comp_id": "AKY",
   "ikey_connectivity": "USZYSDMBJDPRIF",
   "smiles": "CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC",
   "targets": [
    "UNP:Q0PCD7"
   ]
  },
  {
   "line": 27148,
   "comp_id": "YP5",
   "ikey_connectivity": "FMXQAKFCTVPOGB",
   "smiles": "CC1(O)CC2(CCN2C(=O)c2cnc(NC3Cc4ccc(Cl)cc4C3)nc2)C1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 9444,
   "comp_id": "A1H65",
   "ikey_connectivity": "APNQQQRDLMWNLM",
   "smiles": "CCCCCCCCCCC1=CC(=O)C(C)=C(C)C1=O",
   "targets": [
    "UNP:A0A9R0IV89",
    "UNP:P00165",
    "UNP:P00166",
    "UNP:P08980",
    "UNP:P16013",
    "UNP:P61045",
    "UNP:P69461",
    "UNP:Q8GT36",
    "UNP:Q9M3L0"
   ]
  },
  {
   "line": 20530,
   "comp_id": "OV4",
   "ikey_connectivity": "KOZCSUYCMLWBNN",
   "smiles": "CN(C)c1ccc(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 5797,
   "comp_id": "8JV",
   "ikey_connectivity": "WVLQTFUZRYRSBE",
   "smiles": "Cc1ccc(C2CCC(C(=O)O)N2C(=O)CNC(CCc2ccccc2)C(=O)O)cc1",
   "targets": [
    "UNP:P12821"
   ]
  },
  {
   "line": 23873,
   "comp_id": "U15",
   "ikey_connectivity": "BMHZOSJVDHAFEE",
   "smiles": "COC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(O)C(N)c1ccc(C)cc1",
   "targets": [
    "UNP:P0AE18"
   ]
  },
  {
   "line": 14091,
   "comp_id": "F56",
   "ikey_connectivity": "XOAZFUVQLCZQIQ",
   "smiles": "CC=CCC(C)CC(C)C(=O)c1c(O)cc[nH]c1=O",
   "targets": [
    "UNP:A0A1F8A906"
   ]
  },
  {
   "line": 8099,
   "comp_id": "A1BQE",
   "ikey_connectivity": "CJGWUQPZRLLSPL",
   "smiles": "CSc1ccc(Br)cc1CC(=O)N1CCCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 10987,
   "comp_id": "A73",
   "ikey_connectivity": "URZUAHXELZUWFE",
   "smiles": "O=c1cc(-c2ccc(Br)cc2)oc2ccccc12",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 10004,
   "comp_id": "A1IRV",
   "ikey_connectivity": "QRPJLVINULAAJE",
   "smiles": "N=C(N)NC(=N)NCCc1ccc(S(N)(=O)=O)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 14326,
   "comp_id": "FIJ",
   "ikey_connectivity": "VSHLILKLIDPGCI",
   "smiles": "CC1(C)CC(C)(c2cc(Cl)c(O)cc2O)Oc2cc(O)c(Cl)cc21",
   "targets": [
    "UNP:Q9C0B1"
   ]
  },
  {
   "line": 15334,
   "comp_id": "GZR",
   "ikey_connectivity": "PUOAETJYKQITMO",
   "smiles": "COc1cc(C=C2CCCN(C(C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1",
   "targets": [
    "UNP:P49768",
    "UNP:Q92542",
    "UNP:Q96BI3",
    "UNP:Q9NZ42"
   ]
  },
  {
   "line": 522,
   "comp_id": "0WN",
   "ikey_connectivity": "JSENTLOBWVHLNR",
   "smiles": "CN(C)CCCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1",
   "targets": [
    "UNP:O15178"
   ]
  },
  {
   "line": 402,
   "comp_id": "0OW",
   "ikey_connectivity": "GOYBCUMANOWCAY",
   "smiles": "NC(=O)c1c(N)nc(OC2CCCC2)nc1OC1CCCC1O",
   "targets": [
    "UNP:Q837V6"
   ]
  },
  {
   "line": 20147,
   "comp_id": "O9W",
   "ikey_connectivity": "VZLIOCMTERNIPD",
   "smiles": "Cc1nnn(Cc2cc(Cl)ccc2C=CC(=O)N2CCN(Cc3ccc(F)cc3)CC2C)n1",
   "targets": [
    "UNP:Q9R1E6"
   ]
  },
  {
   "line": 22032,
   "comp_id": "R3L",
   "ikey_connectivity": "BZJAAQAQRWJHJG",
   "smiles": "Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1",
   "targets": [
    "UNP:P29317"
   ]
  },
  {
   "line": 1814,
   "comp_id": "2VA",
   "ikey_connectivity": "UPIKYXOKKJTWAH",
   "smiles": "CC(C)C(N)C(=O)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc21",
   "targets": [
    "UNP:P56690"
   ]
  },
  {
   "line": 5918,
   "comp_id": "8PL",
   "ikey_connectivity": "ZSKCTPXPUOLSKO",
   "smiles": "CC(CS)C(=O)NC(C(=O)O)c1ccc(F)cc1",
   "targets": [
    "UNP:Q9K2N0"
   ]
  },
  {
   "line": 11177,
   "comp_id": "AK6",
   "ikey_connectivity": "NNMDRKWRQGOYCR",
   "smiles": "COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CCSCc1cnc2[nH]ccc2c1",
   "targets": [
    "UNP:P97477"
   ]
  },
  {
   "line": 10519,
   "comp_id": "A1JVW",
   "ikey_connectivity": "VQESLRCHTNGWIY",
   "smiles": "Cc1ccc2c(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)ncnc2c1",
   "targets": [
    "UNP:P10721"
   ]
  },
  {
   "line": 23415,
   "comp_id": "T7Q",
   "ikey_connectivity": "NPALYBYZIAGBTE",
   "smiles": "[NH3+]C(Cc1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)O",
   "targets": [
    "UNP:A0A3G3IHP7"
   ]
  },
  {
   "line": 15765,
   "comp_id": "HN5",
   "ikey_connectivity": "QXPSLCODOUKVQZ",
   "smiles": "CC(C)(C)c1ccc(CCC2CCC(O)C3C(O)C(O)CN23)cc1",
   "targets": [
    "UNP:Q24451"
   ]
  },
  {
   "line": 26165,
   "comp_id": "XHU",
   "ikey_connectivity": "IOUGAUHAXLNXLM",
   "smiles": "N#Cc1cc(-c2cc(OC3CC3)ccc2F)c(OCc2n[nH]c3ncccc23)cc1Cl",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 13653,
   "comp_id": "EHW",
   "ikey_connectivity": "FOQLCYIBXICLES",
   "smiles": "Cc1noc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12",
   "targets": [
    "UNP:Q9BZ95"
   ]
  },
  {
   "line": 6441,
   "comp_id": "9FM",
   "ikey_connectivity": "BINKCYCULJAFGO",
   "smiles": "CCCCCCOCCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(NC)c2nonc12",
   "targets": [
    "UNP:P0A3G2"
   ]
  },
  {
   "line": 18727,
   "comp_id": "LY7",
   "ikey_connectivity": "HOQAVGZLYRYHSO",
   "smiles": "CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(C#N)cc2)cc1",
   "targets": [
    "UNP:P19491"
   ]
  },
  {
   "line": 27322,
   "comp_id": "YXW",
   "ikey_connectivity": "GPSLYTIDVZDODP",
   "smiles": "O=C(NCC1(O)CCC(COc2ccccc2F)CC1)c1ccc(O)c(F)c1",
   "targets": [
    "UNP:A0A8I3RYU0"
   ]
  },
  {
   "line": 16138,
   "comp_id": "I8T",
   "ikey_connectivity": "BYYDVPCOJAQWPZ",
   "smiles": "Nc1nc2nc(C(=O)NC(Cc3ccc(O)cc3)C(=O)O)cnc2c(=O)[nH]1",
   "targets": [
    "UNP:P02879"
   ]
  },
  {
   "line": 9237,
   "comp_id": "A1ERB",
   "ikey_connectivity": "ILDPOZRYIMKOAE",
   "smiles": "O=C(CCl)N(Cc1cccc(-c2ccccc2)c1)C1CCS(=O)(=O)C1",
   "targets": [
    "UNP:Q13526"
   ]
  },
  {
   "line": 16131,
   "comp_id": "I8E",
   "ikey_connectivity": "ZROLHBHDLIHEMS",
   "smiles": "CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21",
   "targets": [
    "UNP:Q8NET8",
    "UNP:Q9H1D0"
   ]
  },
  {
   "line": 3862,
   "comp_id": "5XF",
   "ikey_connectivity": "QCIJLRJBZDBVDB",
   "smiles": "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C",
   "targets": [
    "UNP:P55201"
   ]
  },
  {
   "line": 19286,
   "comp_id": "MY8",
   "ikey_connectivity": "ZWHLYXQJICTUSD",
   "smiles": "CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(O)C=CC=CC1C",
   "targets": [
    "UNP:Q83WF5"
   ]
  },
  {
   "line": 5766,
   "comp_id": "8IP",
   "ikey_connectivity": "NQSBHBFOOVYRNM",
   "smiles": "Nc1ncccc1NCc1cccc(-c2cccnc2)c1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 20213,
   "comp_id": "ODB",
   "ikey_connectivity": "IXLKCOMKHVAIOV",
   "smiles": "N=C(N)NCCCC1NC(=O)CC2CCCN2C(=O)CN(Cc2ccccc2CO)Cc2ccccc2CSCC(C(N)=O)NC1=O",
   "targets": [
    "UNP:P00734"
   ]
  },
  {
   "line": 13097,
   "comp_id": "DQH",
   "ikey_connectivity": "CXQWRCVTCMQVQX",
   "smiles": "O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O",
   "targets": [
    "UNP:C5YGL7",
    "UNP:P16559",
    "UNP:P93799",
    "UNP:Q96323"
   ]
  },
  {
   "line": 2430,
   "comp_id": "3UC",
   "ikey_connectivity": "MUYRTPUNBLMMOR",
   "smiles": "O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(F)(F)C3(F)F)C(O)C2O)c(=O)[nH]1",
   "targets": [
    "UNP:P9WIQ1"
   ]
  },
  {
   "line": 5692,
   "comp_id": "8EO",
   "ikey_connectivity": "FAOXQWUECSMMCY",
   "smiles": "CC1=[N+](Cc2cnc(C)nc2N)CSC1CCOP(=O)(O)OP(=O)(O)O",
   "targets": [
    "UNP:P34736"
   ]
  },
  {
   "line": 24001,
   "comp_id": "U7S",
   "ikey_connectivity": "BGJMKHPWCFXMOW",
   "smiles": "C=C(F)c1sc(CNCCCNc2cc(=O)c3ccccc3[nH]2)c(C)c1Br",
   "targets": [
    "UNP:Q8PMP0"
   ]
  },
  {
   "line": 17069,
   "comp_id": "JJX",
   "ikey_connectivity": "MJSBQGLWAKMDDF",
   "smiles": "CC1=C(C#N)C(c2ccc(C#N)cc2)N(CC(=O)N2CCN(C(C)C)CC2)C(=O)N1c1cccc(C(F)(F)F)c1",
   "targets": [
    "UNP:P08246"
   ]
  },
  {
   "line": 2070,
   "comp_id": "38Y",
   "ikey_connectivity": "SFZDVNHRQSVZOB",
   "smiles": "CCOc1ccc(Br)c(C(CN)OB2OC3C(COP(=O)(O)O)OC(n4cnc5c(N)ncnc54)C3O2)c1",
   "targets": [
    "UNP:P9WFV1"
   ]
  },
  {
   "line": 13198,
   "comp_id": "DWA",
   "ikey_connectivity": "WCJQDRXUNINKDD",
   "smiles": "COc1ccc(C2(c3cccc(-c4cccnc4F)c3)COC(N)=N2)cc1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 5543,
   "comp_id": "86A",
   "ikey_connectivity": "FCWKSOJGKKFIAW",
   "smiles": "CC(C)C(NC(=O)CCc1ccccc1)P(=O)(O)OC(C(=O)O)c1cccc(NC(=N)N)c1",
   "targets": [
    "UNP:P09955"
   ]
  },
  {
   "line": 3399,
   "comp_id": "5AD",
   "ikey_connectivity": "XGYIMTFOTBMPFP",
   "smiles": "CC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:A0A174NUT3",
    "UNP:A0A349B205",
    "UNP:A0A3A8HCN5",
    "UNP:A0A5Q0H231",
    "UNP:A0A6B9HEI0",
    "UNP:A0KGU9",
    "UNP:A1HPQ5",
    "UNP:C6FX51",
    "UNP:E3PY95",
    "UNP:E3PY96",
    "UNP:I3VE74",
    "UNP:I3VE77",
    "UNP:O33839",
    "UNP:O43766",
    "UNP:O82392",
    "UNP:O95163",
    "UNP:P0AEJ6",
    "UNP:P11652",
    "UNP:P11653",
    "UNP:P19636",
    "UNP:P22033",
    "UNP:P23434",
    "UNP:P36979",
    "UNP:P42935",
    "UNP:P69848",
    "UNP:P80077",
    "UNP:P80078",
    "UNP:P9WJK5",
    "UNP:P9WJK7",
    "UNP:P9WK91",
    "UNP:P9WN55",
    "UNP:P9WP99",
    "UNP:Q02908",
    "UNP:Q06706",
    "UNP:Q50EJ2",
    "UNP:Q53W62",
    "UNP:Q58036",
    "UNP:Q59470",
    "UNP:Q59471",
    "UNP:Q59472",
    "UNP:Q6IA86",
    "UNP:Q70GK9",
    "UNP:Q746J7",
    "UNP:Q8CBB9",
    "UNP:Q8RBT2",
    "UNP:Q8RBT3",
    "UNP:Q8U2I5",
    "UNP:Q96EY8",
    "UNP:Q9H9T3",
    "UNP:Q9X0Z6",
    "UNP:Q9Y4U1"
   ]
  },
  {
   "line": 16009,
   "comp_id": "I18",
   "ikey_connectivity": "VLUCXJXOZXEFPA",
   "smiles": "CC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1",
   "targets": [
    "UNP:P56273"
   ]
  },
  {
   "line": 19050,
   "comp_id": "MI5",
   "ikey_connectivity": "GZPYWHILDNLCNY",
   "smiles": "Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)sn1",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 6282,
   "comp_id": "97F",
   "ikey_connectivity": "KJEVFPWGGUKRKQ",
   "smiles": "Cc1nnc2c(NC(C)C(N)=O)cc(-c3ccccc3Oc3ccccc3)nn12",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 25400,
   "comp_id": "WDO",
   "ikey_connectivity": "MQBYOBGLLNZOMZ",
   "smiles": "O[S+](O)c1ccc(Oc2ccc(Cl)cc2)cc1",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 6021,
   "comp_id": "8VI",
   "ikey_connectivity": "WFXIHQFRQPGCCR",
   "smiles": "CCN(C(=O)c1ccccc1OC)c1cc2c(cc1N1CCNCC1C)n(C)c(=O)n2C",
   "targets": [
    "UNP:P55201",
    "UNP:Q8IK82"
   ]
  },
  {
   "line": 14505,
   "comp_id": "FRZ",
   "ikey_connectivity": "XVECMUKVOMUNLE",
   "smiles": "Nc1n[nH]c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12",
   "targets": [
    "UNP:P04608",
    "UNP:P28482",
    "UNP:Q15418"
   ]
  },
  {
   "line": 8827,
   "comp_id": "A1D6X",
   "ikey_connectivity": "JNGZXGGOCLZBFB",
   "smiles": "CC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O",
   "targets": [
    "UNP:P49768",
    "UNP:Q92542",
    "UNP:Q96BI3",
    "UNP:Q9NZ42"
   ]
  },
  {
   "line": 25900,
   "comp_id": "X3U",
   "ikey_connectivity": "DCXFIOLWWRXEQH",
   "smiles": "COCc1nn2c(CN3CC(CC(F)(F)Cl)CC3=O)c(C(F)(F)F)nc2s1",
   "targets": [
    "UNP:Q7L0J3",
    "UNP:Q7L1I2"
   ]
  },
  {
   "line": 4057,
   "comp_id": "66H",
   "ikey_connectivity": "SOHROZVXKZYZIE",
   "smiles": "CN1C(=N)NC(c2ccccc2)(c2cccc(NC(=O)c3ccco3)c2)C1=O",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 26994,
   "comp_id": "YJT",
   "ikey_connectivity": "",
   "smiles": "O=C1[O-]->[Ru]2([OH])<-[N](=C[N-](c3ccc(F)cc3)->[Ru]2([OH])<-[O-]1)c1ccc(F)cc1",
   "targets": [
    "UNP:P00698"
   ]
  },
  {
   "line": 4992,
   "comp_id": "7GY",
   "ikey_connectivity": "MSKMVINDTCVTEK",
   "smiles": "CCc1cc(O)ccc1-c1ccc2c(C(N)=O)n[nH]c2c1",
   "targets": [
    "UNP:O60674"
   ]
  },
  {
   "line": 8037,
   "comp_id": "A1BO7",
   "ikey_connectivity": "YPPPQJNCBBACKM",
   "smiles": "COc1cccc(NC(=O)N2CCCC(C(N)=O)C2)n1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 20942,
   "comp_id": "PI6",
   "ikey_connectivity": "RFUKEYSMPSCDLJ",
   "smiles": "CCC(C)C1NC(=O)C(NCC(O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)OCCCNC1=O",
   "targets": [
    "UNP:P03369"
   ]
  },
  {
   "line": 24415,
   "comp_id": "UTP",
   "ikey_connectivity": "PGAVKCOVUIYSFO",
   "smiles": "O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1",
   "targets": [
    "UNP:A0A161CFW5",
    "UNP:A0A161CM65",
    "UNP:A0A2H4T2H0",
    "UNP:A0A2V2XQ88",
    "UNP:A0A345ILN6",
    "UNP:A0A3L6KRX7",
    "UNP:A0A6A5PYW3",
    "UNP:A3DJ38",
    "UNP:B1YNX3",
    "UNP:C7AJA4",
    "UNP:C7EWL9",
    "UNP:C9E870",
    "UNP:C9E871",
    "UNP:C9E872",
    "UNP:C9E874",
    "UNP:C9ZJA0",
    "UNP:C9ZLR9",
    "UNP:D0A5R7",
    "UNP:D0EZK6",
    "UNP:D3G6S4",
    "UNP:D9J2T9",
    "UNP:G0YZJ9",
    "UNP:G0YZK0",
    "UNP:I3LM39",
    "UNP:O05338",
    "UNP:O13833",
    "UNP:O28126",
    "UNP:P03300",
    "UNP:P0A776",
    "UNP:P0A786",
    "UNP:P0A7E9",
    "UNP:P0A7F3",
    "UNP:P0A7Z4",
    "UNP:P0A800",
    "UNP:P0A8T7",
    "UNP:P0A8V2",
    "UNP:P0DPG3",
    "UNP:P0DPG4",
    "UNP:P0DSP3",
    "UNP:P0DTD1",
    "UNP:P0DX98",
    "UNP:P13569",
    "UNP:P13699",
    "UNP:P17812",
    "UNP:P24499",
    "UNP:P25874",
    "UNP:P26663",
    "UNP:P33038",
    "UNP:P38627",
    "UNP:P51582",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63092",
    "UNP:P70303",
    "UNP:P70698",
    "UNP:P9WHK5",
    "UNP:P9WHK7",
    "UNP:P9WPQ5",
    "UNP:Q0MX25",
    "UNP:Q2FZ22",
    "UNP:Q2G0S3",
    "UNP:Q381M1",
    "UNP:Q382E8",
    "UNP:Q382U6",
    "UNP:Q383D1",
    "UNP:Q383G5",
    "UNP:Q383N9",
    "UNP:Q383R4",
    "UNP:Q384N9",
    "UNP:Q385L8",
    "UNP:Q386Q7",
    "UNP:Q387C7",
    "UNP:Q387J1",
    "UNP:Q387Q6",
    "UNP:Q388L7",
    "UNP:Q388R7",
    "UNP:Q389F9",
    "UNP:Q389L3",
    "UNP:Q389T7",
    "UNP:Q389Z3",
    "UNP:Q38A63",
    "UNP:Q38AG1",
    "UNP:Q38AS2",
    "UNP:Q38AX6",
    "UNP:Q38BP1",
    "UNP:Q38BS2",
    "UNP:Q38BW5",
    "UNP:Q38C84",
    "UNP:Q38C96",
    "UNP:Q38CI8",
    "UNP:Q38D60",
    "UNP:Q38DK4",
    "UNP:Q38DK6",
    "UNP:Q38DP8",
    "UNP:Q38DR3",
    "UNP:Q38E61",
    "UNP:Q38ET1",
    "UNP:Q38F25",
    "UNP:Q4CPX3",
    "UNP:Q4CSF0",
    "UNP:Q4CT44",
    "UNP:Q4CTU7",
    "UNP:Q4CVW1",
    "UNP:Q4CW80",
    "UNP:Q4D014",
    "UNP:Q4D0Q8",
    "UNP:Q4D4C7",
    "UNP:Q4D4G1",
    "UNP:Q4D583",
    "UNP:Q4D651",
    "UNP:Q4D6Y0",
    "UNP:Q4D7F8",
    "UNP:Q4D7Y5",
    "UNP:Q4D913",
    "UNP:Q4DA51",
    "UNP:Q4DBB7",
    "UNP:Q4DD80",
    "UNP:Q4DEM5",
    "UNP:Q4DET1",
    "UNP:Q4DEW9",
    "UNP:Q4DIY1",
    "UNP:Q4DJ95",
    "UNP:Q4DLH4",
    "UNP:Q4DMI0",
    "UNP:Q4DNX8",
    "UNP:Q4DRC8",
    "UNP:Q4DRG2",
    "UNP:Q4DRR8",
    "UNP:Q4DRU1",
    "UNP:Q4DS13",
    "UNP:Q4DTE7",
    "UNP:Q4DUA8",
    "UNP:Q4DV41",
    "UNP:Q4DVD2",
    "UNP:Q4DW24",
    "UNP:Q4DWR5",
    "UNP:Q4DX04",
    "UNP:Q4DX19",
    "UNP:Q4DX83",
    "UNP:Q4DY17",
    "UNP:Q4DYR0",
    "UNP:Q4DZA7",
    "UNP:Q4DZS3",
    "UNP:Q4E0X6",
    "UNP:Q4E1X5",
    "UNP:Q4E2D1",
    "UNP:Q4E2I9",
    "UNP:Q4E2R4",
    "UNP:Q4E4E0",
    "UNP:Q4E4S6",
    "UNP:Q4GZ99",
    "UNP:Q4WAR0",
    "UNP:Q57UA2",
    "UNP:Q57UJ2",
    "UNP:Q57UK0",
    "UNP:Q57UW6",
    "UNP:Q57UZ6",
    "UNP:Q57VB2",
    "UNP:Q57VQ9",
    "UNP:Q57VT0",
    "UNP:Q57W62",
    "UNP:Q57WE3",
    "UNP:Q57WU2",
    "UNP:Q57WW0",
    "UNP:Q57XL2",
    "UNP:Q57YB5",
    "UNP:Q57YC0",
    "UNP:Q57YD4",
    "UNP:Q57Z45",
    "UNP:Q57Z84",
    "UNP:Q57ZE2",
    "UNP:Q57ZM4",
    "UNP:Q57ZP1",
    "UNP:Q57ZP8",
    "UNP:Q57ZW9",
    "UNP:Q580I0",
    "UNP:Q580M9",
    "UNP:Q580V1",
    "UNP:Q582T1",
    "UNP:Q582T9",
    "UNP:Q583U4",
    "UNP:Q584T8",
    "UNP:Q584U8",
    "UNP:Q585C2",
    "UNP:Q585I1",
    "UNP:Q585K5",
    "UNP:Q586A1",
    "UNP:Q586G5",
    "UNP:Q586H1",
    "UNP:Q586P5",
    "UNP:Q587C2",
    "UNP:Q587C4",
    "UNP:Q59QT3",
    "UNP:Q5SHR6",
    "UNP:Q5SKW1",
    "UNP:Q5VYS8",
    "UNP:Q6TS43",
    "UNP:Q7VTV0",
    "UNP:Q86MV5",
    "UNP:Q8CBB9",
    "UNP:Q8RQE7",
    "UNP:Q8RQE8",
    "UNP:Q8RQE9",
    "UNP:Q8U122",
    "UNP:Q94M05",
    "UNP:Q993A4",
    "UNP:Q9AGY4",
    "UNP:Q9GPE9",
    "UNP:Q9GS23",
    "UNP:Q9HUM0",
    "UNP:Q9I5U0",
    "UNP:Q9IR43",
    "UNP:Q9M9P3",
    "UNP:Q9NP87",
    "UNP:Q9NRF8",
    "UNP:Q9UKV8",
    "UNP:Q9VI58",
    "UNP:Q9VUL1"
   ]
  },
  {
   "line": 7523,
   "comp_id": "A1AV5",
   "ikey_connectivity": "JODVTPBBFRHZCY",
   "smiles": "COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CO)Cc3cocn3)cc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 5917,
   "comp_id": "8PH",
   "ikey_connectivity": "HGWZIIXYBMYRRK",
   "smiles": "CCCCCCCCCC[n+]1ccn(CC(O)(P(=O)([O-])O)P(=O)(O)O)c1",
   "targets": [
    "UNP:P37268"
   ]
  },
  {
   "line": 11604,
   "comp_id": "B9P",
   "ikey_connectivity": "AKVNOAJJWXUFFK",
   "smiles": "O=C1NC2CSC(CCCCC(=O)c3ccc4ccc5cccc6ccc3c4c56)C2N1",
   "targets": [
    "UNP:P02701"
   ]
  },
  {
   "line": 14184,
   "comp_id": "FAL",
   "ikey_connectivity": "GNLAGGCSJGJECE",
   "smiles": "CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 12224,
   "comp_id": "C9U",
   "ikey_connectivity": "FOCILHGCJYYBPA",
   "smiles": "CCn1cc(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)c(-c2cccnc2)n1",
   "targets": [
    "UNP:Q04771"
   ]
  },
  {
   "line": 22783,
   "comp_id": "S6D",
   "ikey_connectivity": "MDUYWDNWFXSMJJ",
   "smiles": "CC1CCN1c1nc(N2CC3C(CC(=O)O)C3C2)cc(C(F)(F)F)n1",
   "targets": [
    "UNP:P50053"
   ]
  },
  {
   "line": 18748,
   "comp_id": "LZH",
   "ikey_connectivity": "FMLMGXAAZAZCMG",
   "smiles": "O=C(CN1CC(NC(=O)c2ccc(Cl)s2)CC1CO)Nc1ccc(-n2ccccc2=O)cc1F",
   "targets": [
    "UNP:P00742"
   ]
  },
  {
   "line": 6406,
   "comp_id": "9DE",
   "ikey_connectivity": "NLJFWGABSSGIJO",
   "smiles": "NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 14156,
   "comp_id": "F8N",
   "ikey_connectivity": "CBOYVLWCZVCRSZ",
   "smiles": "COc1cccc(-c2cccc(CC3(C(=O)NCCCn4ccnc4)CCOCC3)c2)c1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 26956,
   "comp_id": "YI7",
   "ikey_connectivity": "RQXSLNDYCDRXAC",
   "smiles": "CCc1c2c(nn1C)C(CCN1CCOCC1)OCCCCn1c(C(=O)O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c31",
   "targets": [
    "UNP:P0AEX9",
    "UNP:Q07820"
   ]
  },
  {
   "line": 5934,
   "comp_id": "8QB",
   "ikey_connectivity": "XDGNKNAACCOKKA",
   "smiles": "O=C1NCCn2cc(-c3ccnc(NC4CCOCC4)n3)cc21",
   "targets": [
    "UNP:P28482"
   ]
  },
  {
   "line": 9670,
   "comp_id": "A1IB5",
   "ikey_connectivity": "UEHOXEWBUJAXSW",
   "smiles": "Cc1cc(-c2nc(Cl)cn2CC2CCOCC2)cn(C)c1=O",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 8152,
   "comp_id": "A1BSA",
   "ikey_connectivity": "IYNYXVSXGLZHPJ",
   "smiles": "NC(=O)C1CCCN(C(=O)C(F)(F)c2cccc(F)c2Br)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 10590,
   "comp_id": "A1L13",
   "ikey_connectivity": "OEOPVJYUCSQVMJ",
   "smiles": "Cc1ccc2nc(-c3ccc(N(C)C)cc3)sc2c1",
   "targets": [
    "UNP:P37840"
   ]
  },
  {
   "line": 5842,
   "comp_id": "8LL",
   "ikey_connectivity": "ZQDZHRAPTBKCCR",
   "smiles": "CCCCCCOCCOCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12",
   "targets": [
    "UNP:P0A3G3"
   ]
  },
  {
   "line": 11857,
   "comp_id": "BOB",
   "ikey_connectivity": "CLEVVMDJDMEQKG",
   "smiles": "CCCCCC(O)C(CCO)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O",
   "targets": [
    "UNP:O15217",
    "UNP:P08263"
   ]
  },
  {
   "line": 1084,
   "comp_id": "1QO",
   "ikey_connectivity": "JTYLHRZXSYVYMO",
   "smiles": "c1ccc(CNc2nccc(-c3cccnc3)n2)cc1",
   "targets": [
    "UNP:P48730"
   ]
  },
  {
   "line": 4302,
   "comp_id": "6IV",
   "ikey_connectivity": "XACYLYKJMUQKEJ",
   "smiles": "O=C1NS(=O)(=O)c2cc(-n3cc(CCOC4OC(CO)C(O)C(O)C4O)nn3)ccc21",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 23929,
   "comp_id": "U46",
   "ikey_connectivity": "LQANGKSBLPMBTJ",
   "smiles": "CCCCCC(O)C=CC1C2CC(CO2)C1CC=CCCCC(=O)O",
   "targets": [
    "UNP:Q95NY5"
   ]
  },
  {
   "line": 22181,
   "comp_id": "RA3",
   "ikey_connectivity": "XIVZXMMBMNXYDY",
   "smiles": "O=C(O)CC1CN(c2ncnc3[nH]c4cc(F)ccc4c23)CC(CO)O1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 15147,
   "comp_id": "GOC",
   "ikey_connectivity": "XTWGDUKLCYCIKR",
   "smiles": "Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C(=O)c4ccccc4)cc2)CSC3)c(C)c1",
   "targets": [
    "UNP:P97784"
   ]
  },
  {
   "line": 4015,
   "comp_id": "64J",
   "ikey_connectivity": "HDFJEMJYJKUGRK",
   "smiles": "Cc1c(Sc2ccc(OC(F)(F)F)cc2)sc2nc(N)nc(N)c12",
   "targets": [
    "UNP:P00374"
   ]
  },
  {
   "line": 27732,
   "comp_id": "ZVY",
   "ikey_connectivity": "AKNGILSRJWORBU",
   "smiles": "N#Cc1ccc(-c2ccc(OCC(=O)O)cc2CN2CCN(c3ccccn3)CC2)cc1",
   "targets": [
    "UNP:P9WPA7"
   ]
  },
  {
   "line": 19601,
   "comp_id": "NFF",
   "ikey_connectivity": "XDLYHUOUOKHAMD",
   "smiles": "CCOc1ccc2ccccc2c1C(=O)NC(C=O)C1NC(C(=O)O)C(C)(C)S1",
   "targets": [
    "UNP:A0A0H2WY27"
   ]
  },
  {
   "line": 20305,
   "comp_id": "OJA",
   "ikey_connectivity": "LZHXZCVDLATFAR",
   "smiles": "CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1",
   "targets": [
    "UNP:P55072"
   ]
  },
  {
   "line": 27200,
   "comp_id": "YRI",
   "ikey_connectivity": "FMIALMAOMCXKFR",
   "smiles": "COC1CCC(n2c(C3CCCC(=O)N3c3ccc(Br)c(Br)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1",
   "targets": [
    "UNP:Q92793"
   ]
  },
  {
   "line": 21975,
   "comp_id": "R0R",
   "ikey_connectivity": "SKYVYAVECIKOMJ",
   "smiles": "O=C(O)C1(F)CN(c2ncnc3[nH]c4cc(F)ccc4c23)CC12COC2",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 7930,
   "comp_id": "A1BJ3",
   "ikey_connectivity": "NBDCRVNEXGIXAL",
   "smiles": "NC(=O)C1CCCCC1Nc1ncnc2ccsc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 9940,
   "comp_id": "A1IP4",
   "ikey_connectivity": "OSFUNYOHKCIHLP",
   "smiles": "O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccc(Cl)cc23)c(CNc2ccccc2)c1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 2669,
   "comp_id": "465",
   "ikey_connectivity": "IRLASAQBVTZKMT",
   "smiles": "C=Nc1c(Cl)c(N)c2c3c(cc(C(N)=O)nc13)C(=O)N2C",
   "targets": [
    "UNP:P16083"
   ]
  },
  {
   "line": 6952,
   "comp_id": "A1A1S",
   "ikey_connectivity": "FHEYPSZFLCZUKW",
   "smiles": "CC(=O)N1c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N(C)CC1c1c(Cl)cccc1Cl",
   "targets": [
    "UNP:P30291"
   ]
  },
  {
   "line": 26457,
   "comp_id": "XVS",
   "ikey_connectivity": "GKYSQDWEWYGVFQ",
   "smiles": "CCOP(=O)(COc1ccc(CC(NC(=O)OC2COC3OCCC23)C(O)CN(CC(CC)CC)S(=O)(=O)c2ccc(OC)cc2)cc1)OCC",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 8822,
   "comp_id": "A1D6Q",
   "ikey_connectivity": "YUSWMAULDXZHPY",
   "smiles": "O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12",
   "targets": [
    "UNP:Q08499"
   ]
  },
  {
   "line": 10165,
   "comp_id": "A1J46",
   "ikey_connectivity": "",
   "smiles": "CC1=[O]->[Ru]23<-[O-]C(C)=[O]->[Ru]2(<-[O-]1)<-[N](=C[N-]->3c1ccccc1C)c1ccccc1C",
   "targets": [
    "UNP:P00698"
   ]
  },
  {
   "line": 19398,
   "comp_id": "N3Z",
   "ikey_connectivity": "DQVCQNGCZCOGHU",
   "smiles": "C=C1COc2cc3c(cc21)-c1c(cc(OC)c(OC)c1OC)CCC3NC(C)=O",
   "targets": [
    "UNP:D0VWY9",
    "UNP:D0VWZ0",
    "UNP:P63043"
   ]
  },
  {
   "line": 27672,
   "comp_id": "ZRL",
   "ikey_connectivity": "YFBJHINTWOTPAK",
   "smiles": "O=c1[nH]cc(Br)c2sc(-c3ccncc3)cc12",
   "targets": [
    "UNP:P49841",
    "UNP:Q92837"
   ]
  },
  {
   "line": 10844,
   "comp_id": "A1LZU",
   "ikey_connectivity": "QVNNONOFASOXQV",
   "smiles": "CC(C)c1cccc(C(C)C)c1OCOP(=O)(O)O",
   "targets": [
    "UNP:P0ABE7",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:Q96LA9"
   ]
  },
  {
   "line": 7981,
   "comp_id": "A1BL0",
   "ikey_connectivity": "UXFNAPYRMJRLSO",
   "smiles": "O=C(O)Cc1occc1C(=O)Nc1ccc(C(F)(F)F)cc1",
   "targets": [
    "UNP:Q14191"
   ]
  },
  {
   "line": 26666,
   "comp_id": "Y5V",
   "ikey_connectivity": "KEGVYPYJMJWBAI",
   "smiles": "COc1cc(CCNC(=O)c2nc(-c3ccccc3C)[nH]c(=O)c2O)ccc1O",
   "targets": [
    "UNP:C3W5S0"
   ]
  },
  {
   "line": 15187,
   "comp_id": "GQN",
   "ikey_connectivity": "MRHRACKJKBOJEI",
   "smiles": "COc1ccc(C(=O)NO)cc1NC(=O)c1ccc(-c2ccccc2)cc1",
   "targets": [
    "UNP:A5H660"
   ]
  },
  {
   "line": 674,
   "comp_id": "15T",
   "ikey_connectivity": "LLRNGFSFYHDPKW",
   "smiles": "CC(O)c1nc2cnc3[nH]ccc3c2n1C1CCC(CCC#N)CC1",
   "targets": [
    "UNP:P23458"
   ]
  },
  {
   "line": 15914,
   "comp_id": "HWU",
   "ikey_connectivity": "JPRVHSQHWXZSNC",
   "smiles": "CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)SC(CO)C(O)C1O",
   "targets": [
    "UNP:O00622",
    "UNP:Q10471"
   ]
  },
  {
   "line": 1234,
   "comp_id": "1XV",
   "ikey_connectivity": "AJWKZOOIFOHKSK",
   "smiles": "O=C(NS(=O)(=O)c1ccc(NC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CCOC3)CC2)cc1",
   "targets": [
    "UNP:P10415"
   ]
  },
  {
   "line": 1258,
   "comp_id": "1YZ",
   "ikey_connectivity": "JGGFBQCPFJAHOH",
   "smiles": "CCOc1ccc2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2c1",
   "targets": [
    "UNP:Q08881"
   ]
  },
  {
   "line": 356,
   "comp_id": "0MC",
   "ikey_connectivity": "JLRDMSUQFUWACS",
   "smiles": "CCC1CCCCC1(O)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)O)c1",
   "targets": [
    "UNP:Q13451"
   ]
  },
  {
   "line": 8881,
   "comp_id": "A1D9W",
   "ikey_connectivity": "PIOPFRGKOMYGFX",
   "smiles": "O=[N+]([O-])c1cnc(Cl)nc1NC1CCS(=O)(=O)C1",
   "targets": [
    "UNP:Q13526"
   ]
  },
  {
   "line": 14168,
   "comp_id": "F9B",
   "ikey_connectivity": "KRBDCALBFRZJTM",
   "smiles": "OCC(CO)NCC(O)COc1cccc2ccccc12",
   "targets": [
    "UNP:P62694"
   ]
  },
  {
   "line": 25978,
   "comp_id": "X7X",
   "ikey_connectivity": "YMCWUEVNKWTDOD",
   "smiles": "O=C(c1cc(OCC2CCOCC2)nc(C2CC2)c1)N1CC2CN(C(=O)c3ccc4[nH]nnc4c3)CC2C1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 5500,
   "comp_id": "845",
   "ikey_connectivity": "AIYASLHMGKXCHQ",
   "smiles": "CC(N)C(=O)NCc1cccc(N2NC(C(F)(F)F)=CC2=C2NN=C(c3cccc4[nH]ccc34)O2)c1",
   "targets": [
    "UNP:Q86X55"
   ]
  },
  {
   "line": 5915,
   "comp_id": "8PE",
   "ikey_connectivity": "RFJQNULIDFTTLL",
   "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC",
   "targets": [
    "UNP:P00044",
    "UNP:P00045",
    "UNP:P00127",
    "UNP:P00128",
    "UNP:P00163",
    "UNP:P00401",
    "UNP:P00410",
    "UNP:P00420",
    "UNP:P00424",
    "UNP:P00427",
    "UNP:P04037",
    "UNP:P04039",
    "UNP:P07143",
    "UNP:P07255",
    "UNP:P07256",
    "UNP:P07257",
    "UNP:P08067",
    "UNP:P08525",
    "UNP:P10174",
    "UNP:P22289",
    "UNP:P32799",
    "UNP:P37299",
    "UNP:P39109",
    "UNP:Q01519",
    "UNP:Q2V2P9",
    "UNP:Q8RNT4",
    "UNP:Q9UBH6",
    "UNP:Q9UU86"
   ]
  },
  {
   "line": 13080,
   "comp_id": "DPS",
   "ikey_connectivity": "ULOTXPTWJAUGGE",
   "smiles": "O=C(O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1",
   "targets": [
    "UNP:P08254"
   ]
  },
  {
   "line": 16162,
   "comp_id": "IA4",
   "ikey_connectivity": "RDTAUTSQXMIWOP",
   "smiles": "CN(CCc1c[nH]c2ccccc12)CCC1CCCCCC1",
   "targets": [
    "UNP:P06276"
   ]
  },
  {
   "line": 13166,
   "comp_id": "DUL",
   "ikey_connectivity": "TYROLWYYLFWJEG",
   "smiles": "CCSc1cccc(-c2ccc(C(N)=O)s2)c1",
   "targets": [
    "UNP:P34913"
   ]
  },
  {
   "line": 1340,
   "comp_id": "23L",
   "ikey_connectivity": "NTBLOIDJWKXDON",
   "smiles": "CC(C)C1Cc2cc(F)ccc2S(=O)(=O)N(CC(O)C(Cc2ccccc2)NC(=O)OC2CCOC2)C1",
   "targets": [
    "UNP:P0C6F2"
   ]
  },
  {
   "line": 3632,
   "comp_id": "5L7",
   "ikey_connectivity": "PHGVAPZBZABAJF",
   "smiles": "Cc1c(O)cccc1OCc1cccnc1-c1ccnn1C(C)C",
   "targets": [
    "UNP:P68871",
    "UNP:P69905"
   ]
  },
  {
   "line": 10532,
   "comp_id": "A1JXD",
   "ikey_connectivity": "SGDBJNVCNZNWTA",
   "smiles": "CC1CSC(C(C=O)NC(=O)C(N)c2ccccc2)N=C1C(=O)O",
   "targets": [
    "UNP:O70038"
   ]
  },
  {
   "line": 27181,
   "comp_id": "YQQ",
   "ikey_connectivity": "CANFWKOSIVKKCK",
   "smiles": "O=C(O)Cc1csc(Nc2cccc(CNC(=O)c3cc(Br)ccc3O)c2)n1",
   "targets": [
    "UNP:Q8N884"
   ]
  },
  {
   "line": 7202,
   "comp_id": "A1AF6",
   "ikey_connectivity": "PKPAUALIHFTDDG",
   "smiles": "O=c1ccc2cccc(-n3nc(C4CCCN(CCC5CCCCC5)C4)[nH]c3=O)c2[nH]1",
   "targets": [
    "UNP:P40261"
   ]
  },
  {
   "line": 11267,
   "comp_id": "AQD",
   "ikey_connectivity": "KRVOJOCLBAAKSJ",
   "smiles": "CNc1cc(OC)c(C(=O)NC2CCN(Cc3ccccc3)C2C)cc1Cl",
   "targets": [
    "UNP:P0ABE7",
    "UNP:P21917"
   ]
  },
  {
   "line": 15996,
   "comp_id": "I0Q",
   "ikey_connectivity": "GOXVJENOKGAJKU",
   "smiles": "CC(=O)NCC1CC[NH+](Cc2cc(Oc3cnc(N4CC[NH+](CCC(C)C(=O)[O-])CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1",
   "targets": [
    "UNP:P09958"
   ]
  },
  {
   "line": 13058,
   "comp_id": "DO3",
   "ikey_connectivity": "IQUHNCOJRJBMSU",
   "smiles": "CC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1",
   "targets": [
    "UNP:P00698",
    "UNP:Q8TZW4",
    "UNP:Q9V2D6"
   ]
  },
  {
   "line": 8733,
   "comp_id": "A1CUA",
   "ikey_connectivity": "LVDXFNSWLHIFKB",
   "smiles": "N#Cc1c(C(F)(F)F)cc(-c2cccnc2N2CCOCC2)[nH]c1=O",
   "targets": [
    "UNP:Q8NFD5"
   ]
  },
  {
   "line": 22461,
   "comp_id": "RP1",
   "ikey_connectivity": "SMPNJFHAPJOHPP",
   "smiles": "Nc1ncnc2c1ncn2C1OC2COP(O)(=S)OC2C1O",
   "targets": [
    "UNP:P00514"
   ]
  },
  {
   "line": 19730,
   "comp_id": "NN0",
   "ikey_connectivity": "NXRNXJJBHSMWKA",
   "smiles": "Cn1c(=O)n(C2CCCC2)c(=O)c2cc(Cl)c(C(=O)C3=C(O)C=CCC3=O)cc21",
   "targets": [
    "UNP:P93836"
   ]
  },
  {
   "line": 22306,
   "comp_id": "RH7",
   "ikey_connectivity": "CTKPJJRUGQCIDS",
   "smiles": "COC(=O)N1CC2CC3OC2(Cc2nccnc23)C1",
   "targets": [
    "UNP:Q6PL18"
   ]
  },
  {
   "line": 16568,
   "comp_id": "IWE",
   "ikey_connectivity": "HMEDEBAJARCKCT",
   "smiles": "NS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2cccs2)cc1Cl",
   "targets": [
    "UNP:P00915",
    "UNP:P00918"
   ]
  },
  {
   "line": 25005,
   "comp_id": "VOZ",
   "ikey_connectivity": "FOEUSFMNKKBIIE",
   "smiles": "O=C(c1cc2ccc(C3CC3)cc2[nH]1)N1CCCc2cnccc2C1",
   "targets": [
    "UNP:P14780"
   ]
  },
  {
   "line": 19754,
   "comp_id": "NOS",
   "ikey_connectivity": "UGQMRVRMYYASKQ",
   "smiles": "O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O",
   "targets": [
    "UNP:A2EU62",
    "UNP:P0ABP9",
    "UNP:P29724",
    "UNP:P33022",
    "UNP:P50247",
    "UNP:P50251",
    "UNP:P84138",
    "UNP:Q2SZE4",
    "UNP:Q5EEL8",
    "UNP:Q7NZ90",
    "UNP:Q86RB0",
    "UNP:Q8IDM6",
    "UNP:Q8IJA9",
    "UNP:Q94BU8",
    "UNP:Q99312",
    "UNP:Q9BMI9",
    "UNP:Q9GPQ4",
    "UNP:Q9GU80"
   ]
  },
  {
   "line": 4487,
   "comp_id": "6SI",
   "ikey_connectivity": "SIHVOGFUBUCGRF",
   "smiles": "N=CN1CCC(C(=O)Nc2nc3c(s2)CN(C(=O)CN[NH2+]N)CC3)C1",
   "targets": [
    "UNP:Q99497"
   ]
  },
  {
   "line": 3214,
   "comp_id": "521",
   "ikey_connectivity": "LCPRWBWCEGWNKF",
   "smiles": "O=C1CN(c2csc(-c3ccccc3)c2Cl)S(=O)(=O)N1",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 14381,
   "comp_id": "FKY",
   "ikey_connectivity": "XJIIVPVOGYFVME",
   "smiles": "Cn1cnc(-c2cnc(OC3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3F)c(C(N)=O)c2)c1",
   "targets": [
    "UNP:Q13882"
   ]
  },
  {
   "line": 4415,
   "comp_id": "6P1",
   "ikey_connectivity": "ABGBHHDSOIOYML",
   "smiles": "COc1ccc(C(C)c2cc(-c3sc(C)nc3C)[nH]n2)cc1",
   "targets": [
    "UNP:P22734"
   ]
  },
  {
   "line": 20617,
   "comp_id": "OZN",
   "ikey_connectivity": "FDWQWRCUIAECJN",
   "smiles": "Cc1nn(C2CCN(CC(=O)N(C)C)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1",
   "targets": [
    "UNP:P08069"
   ]
  },
  {
   "line": 8341,
   "comp_id": "A1C3G",
   "ikey_connectivity": "XXRKRPJUCVNNCH",
   "smiles": "NCC1OC(OC(C(NCCCC(=O)NCc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)C(N)=O)C2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C1O",
   "targets": [
    "UNP:Q9H3H5"
   ]
  },
  {
   "line": 23154,
   "comp_id": "SRN",
   "ikey_connectivity": "OTABDKFPJQZJRD",
   "smiles": "CC(=CC(C)CCCCC(=O)O)C1OC2C=CC1OC(=O)C=CC=CC=CC1OC3CC1OC(C=CCC1OC(CC(O)C1C)C(O)C(O)C=CCCC=CC2)C3C",
   "targets": [
    "UNP:P9WGI1",
    "UNP:P9WGY5",
    "UNP:P9WGY7",
    "UNP:P9WGY9",
    "UNP:P9WGZ1",
    "UNP:P9WHJ5",
    "UNP:P9WJG3"
   ]
  },
  {
   "line": 110,
   "comp_id": "082",
   "ikey_connectivity": "FOYKYLQAKICGEN",
   "smiles": "COc1ccc2c(-n3c(=O)n(Cc4cccc(C5(C)OC(=O)NC5=O)c4)c4ccccc43)noc2c1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 12407,
   "comp_id": "CKW",
   "ikey_connectivity": "NIARDQNUDKGRGO",
   "smiles": "OCC1OC(c2nnc(-c3ccc(-c4ccccc4)cc3)[nH]2)C(O)C(O)C1O",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 9596,
   "comp_id": "A1I6F",
   "ikey_connectivity": "SAKYCLOJOJKCIC",
   "smiles": "Cc1oc(-c2cc(F)cc(NC(=N)N3CCC(C)(C)CC3)c2)cc1C(=O)N1CCCCC1",
   "targets": [
    "UNP:Q8IVV7"
   ]
  },
  {
   "line": 5234,
   "comp_id": "7RQ",
   "ikey_connectivity": "JKNRGQRJDMEUPO",
   "smiles": "CN(C)c1ccc2c(c1)Oc1cc(NCCCCCCNC(=O)c3ccc(C(=O)C4=C(O)CCCC4=O)c([N+](=O)[O-])c3)c3ccccc3c1N2",
   "targets": [
    "UNP:P93836"
   ]
  },
  {
   "line": 18449,
   "comp_id": "LHX",
   "ikey_connectivity": "DFUOJBWSSSODTR",
   "smiles": "COc1cc(C(O)C(CO)c2ccc(O)c(OC)c2)ccc1O",
   "targets": [
    "UNP:A0ABR6NDA1"
   ]
  },
  {
   "line": 8243,
   "comp_id": "A1BWO",
   "ikey_connectivity": "CCYKSCLMFZLAJH",
   "smiles": "COC(=O)NCC1CN(c2cc(F)c(N3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1",
   "targets": [
    "UNP:A0A2U9Q0X2",
    "UNP:A0QR10",
    "UNP:A0QS39",
    "UNP:A0QS45",
    "UNP:A0QS96",
    "UNP:A0QS97",
    "UNP:A0QSD0",
    "UNP:A0QSD1",
    "UNP:A0QSD2",
    "UNP:A0QSD3",
    "UNP:A0QSD4",
    "UNP:A0QSD5",
    "UNP:A0QSD6",
    "UNP:A0QSD7",
    "UNP:A0QSD8",
    "UNP:A0QSD9",
    "UNP:A0QSE0",
    "UNP:A0QSF9",
    "UNP:A0QSG0",
    "UNP:A0QSG1",
    "UNP:A0QSG2",
    "UNP:A0QSG3",
    "UNP:A0QSG4",
    "UNP:A0QSG5",
    "UNP:A0QSG6",
    "UNP:A0QSG7",
    "UNP:A0QSG8",
    "UNP:A0QSL4",
    "UNP:A0QSL5",
    "UNP:A0QSL6",
    "UNP:A0QSL7",
    "UNP:A0QSL9",
    "UNP:A0QSP8",
    "UNP:A0QSP9",
    "UNP:A0QTP4",
    "UNP:A0QV03",
    "UNP:A0QV37",
    "UNP:A0QV42",
    "UNP:A0QVB8",
    "UNP:A0QVQ3",
    "UNP:A0QYU6",
    "UNP:A0QYU7",
    "UNP:A0R102",
    "UNP:A0R150",
    "UNP:A0R151",
    "UNP:A0R215",
    "UNP:A0R3D2",
    "UNP:A0R3I9",
    "UNP:A0R7F6",
    "UNP:A0R7F7",
    "UNP:A0R7K0"
   ]
  },
  {
   "line": 19189,
   "comp_id": "MSC",
   "ikey_connectivity": "BVPTXJDSYPTXMO",
   "smiles": "O=C(NCc1c(F)cccc1Cl)C(OCc1ccccc1)C(O)C(O)C(OCc1ccccc1)C(=O)NC1c2ccccc2CC1O",
   "targets": [
    "UNP:P03366"
   ]
  },
  {
   "line": 22729,
   "comp_id": "S3O",
   "ikey_connectivity": "HKZLJFYLGVHCCO",
   "smiles": "CC(=O)Nc1cc2c(c(-c3cccc(C)c3C)n1)CCCN2",
   "targets": [
    "UNP:P36639"
   ]
  },
  {
   "line": 24702,
   "comp_id": "V9R",
   "ikey_connectivity": "FRACPXUHUTXLCX",
   "smiles": "CC(C)(C)OC(=O)Nc1cccn(C(CC2CC2)C(=O)NC(CC2CCNC2=O)C(O)C(=O)NCc2ccccc2)c1=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 20054,
   "comp_id": "O5Y",
   "ikey_connectivity": "ZVWBSEHSMCJHSP",
   "smiles": "CCC(=O)N1CC(NC(=O)Cn2cc(C(=O)N3CCc4c(cccc4OC)C3)c3cc(Br)ccc32)C1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 18509,
   "comp_id": "LKX",
   "ikey_connectivity": "IADLNEMEFCQDCX",
   "smiles": "O=C(Cc1cccc(Cl)c1)Nn1cn[nH]c1=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 23467,
   "comp_id": "TB3",
   "ikey_connectivity": "ARCZKZYKNUNGNI",
   "smiles": "O=C(O)C=CC(=O)Nc1ccc(Br)cc1Cl",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 7580,
   "comp_id": "A1B0H",
   "ikey_connectivity": "MEGVZXPQKGWUAG",
   "smiles": "O=C(O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccncc12",
   "targets": [
    "UNP:P68400"
   ]
  },
  {
   "line": 14007,
   "comp_id": "F0T",
   "ikey_connectivity": "PBAIODNVOMWARE",
   "smiles": "CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)CC1CC1",
   "targets": [
    "UNP:P62937"
   ]
  },
  {
   "line": 15548,
   "comp_id": "H9B",
   "ikey_connectivity": "HMCDKUBGFVFWGK",
   "smiles": "CCC(N)C(=O)NC1(CN)CC1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1",
   "targets": [
    "UNP:P53634"
   ]
  },
  {
   "line": 4855,
   "comp_id": "7AH",
   "ikey_connectivity": "UQJDOYKPKPJIFW",
   "smiles": "O=C(Cc1ccc(F)cc1)Nc1ccc2[nH]cc(C3CCNCC3)c2c1",
   "targets": [
    "UNP:Q4Q5S8"
   ]
  },
  {
   "line": 3797,
   "comp_id": "5U6",
   "ikey_connectivity": "BJFSUDWKXGMUKA",
   "smiles": "COc1cc(-c2cn(C)c(=O)c3cnccc23)c(OC)cc1CN(C)C",
   "targets": [
    "UNP:O60885",
    "UNP:Q04771",
    "UNP:Q9H8M2",
    "UNP:Q9NPI1"
   ]
  },
  {
   "line": 16507,
   "comp_id": "ITY",
   "ikey_connectivity": "MGLDCXPLYOWQRP",
   "smiles": "CCCCCC#CCC#CCC#CCC#CCCCC(=O)O",
   "targets": [
    "UNP:Q07869"
   ]
  },
  {
   "line": 24807,
   "comp_id": "VEU",
   "ikey_connectivity": "JJZLDWBCAMPSMG",
   "smiles": "CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccn(C2CC2)c1=O",
   "targets": [
    "UNP:Q9NWZ3"
   ]
  },
  {
   "line": 10072,
   "comp_id": "A1IVJ",
   "ikey_connectivity": "FGXWKSZFVQUSTL",
   "smiles": "O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1",
   "targets": [
    "UNP:Q9BZV2"
   ]
  },
  {
   "line": 22152,
   "comp_id": "R8R",
   "ikey_connectivity": "BNVOKYLFRJDXFX",
   "smiles": "O=C(O)C1CN(c2ncnc3[nH]c4cc(F)ccc4c23)CCC12CCC2",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 24832,
   "comp_id": "VG5",
   "ikey_connectivity": "ARWMRRUIIHCDKG",
   "smiles": "CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)CNC(C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 24514,
   "comp_id": "UYZ",
   "ikey_connectivity": "BJJFIFKPWWSNGM",
   "smiles": "CC1(C)CCN(Cc2ccc(N3CC(=O)NC4(CCN(c5ncnc6[nH]ccc56)CC4)C3)cc2)CC1",
   "targets": [
    "UNP:Q86U44",
    "UNP:Q9HCE5"
   ]
  },
  {
   "line": 17426,
   "comp_id": "K17",
   "ikey_connectivity": "LOEIRDBRYBHAJB",
   "smiles": "Brc1c(Br)c(Br)c2[nH]cnc2c1Br",
   "targets": [
    "UNP:P16083",
    "UNP:P28523"
   ]
  },
  {
   "line": 27448,
   "comp_id": "ZEM",
   "ikey_connectivity": "",
   "smiles": "C=CC1=C(C)c2c(O)c3c(C)c(CCC(=O)O)c4cc5[n]6->[Zn+2]7(<-[n]2c1cc1c(C)c(C=C)c(cc6C(C)=C5CCC(=O)O)[n-]->71)<-[n-]43",
   "targets": [
    "UNP:P00431"
   ]
  },
  {
   "line": 5784,
   "comp_id": "8JA",
   "ikey_connectivity": "XGGQCNFMILXRKW",
   "smiles": "O=C(CCCCCCC(=O)Nc1c[nH]c(=O)[nH]c1=O)NO",
   "targets": [
    "UNP:Q96T88"
   ]
  },
  {
   "line": 21733,
   "comp_id": "QP3",
   "ikey_connectivity": "MCHNUYTWURIGNT",
   "smiles": "COc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O",
   "targets": [
    "UNP:Q7MY08"
   ]
  },
  {
   "line": 9992,
   "comp_id": "A1IRE",
   "ikey_connectivity": "GIXVZWVAKMICTO",
   "smiles": "CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(S(=O)(=O)C(F)(F)F)C3)cc1",
   "targets": [
    "UNP:A0A2U9PNL2",
    "UNP:A0QQQ1",
    "UNP:A0QVH4",
    "UNP:A0R049",
    "UNP:A0R050",
    "UNP:A0R051",
    "UNP:A0R052",
    "UNP:A0R056",
    "UNP:A0R057",
    "UNP:A0R1B5",
    "UNP:A0R1B6"
   ]
  },
  {
   "line": 16307,
   "comp_id": "IIW",
   "ikey_connectivity": "FNGUXMMZSCMHDU",
   "smiles": "COCCNc1cc(NC(=O)c2cn(CCN3CCOCC3)c3cc(Br)c(C=O)nc23)ncc1C#N",
   "targets": [
    "UNP:P22455"
   ]
  },
  {
   "line": 27321,
   "comp_id": "YXT",
   "ikey_connectivity": "XPPBBJCBDOEXDN",
   "smiles": "CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 19685,
   "comp_id": "NK7",
   "ikey_connectivity": "UMJXENCLPLBDKV",
   "smiles": "NC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CNCC2NCc2ccc(C(F)(F)F)cc2)cc1",
   "targets": [
    "UNP:P03367"
   ]
  },
  {
   "line": 10668,
   "comp_id": "A1L5L",
   "ikey_connectivity": "XZISSTDXPBUCJA",
   "smiles": "O=C1CCc2c(OCC3(O)CCN(c4c(F)cc(Cl)cc4F)CC3O)ccc(F)c2N1",
   "targets": [
    "UNP:P9WGS9",
    "UNP:P9WJF1"
   ]
  },
  {
   "line": 7012,
   "comp_id": "A1A52",
   "ikey_connectivity": "AMRWUDNUTGWQIA",
   "smiles": "Cc1c(C(=O)NC2CC2)nn(C)c1Cc1ccc(C(F)(F)F)nc1",
   "targets": [
    "UNP:Q08210"
   ]
  },
  {
   "line": 5382,
   "comp_id": "7YK",
   "ikey_connectivity": "YFHOMYWNYOHHDS",
   "smiles": "CC1CC(=O)N(C2CCOCC2)N=C1c1ccc(NC(=O)N2Cc3ccncc3C2)cc1",
   "targets": [
    "UNP:P43490"
   ]
  },
  {
   "line": 24652,
   "comp_id": "V6G",
   "ikey_connectivity": "USUWIEBBBWHKNI",
   "smiles": "Cc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C)c4F)c2=O)C(C)N(C(=O)c2cc4cc(C5CCOC(C)(C)C5)ccc4n2C2(c4noc(=O)[nH]4)CC2C)CC3)cc(C)c1F",
   "targets": [
    "UNP:P43220",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63092"
   ]
  },
  {
   "line": 25576,
   "comp_id": "WMX",
   "ikey_connectivity": "KDOYDBOXSWPABK",
   "smiles": "CCOCOc1cc(O)c2c(c1)CCCCC(O)C(O)C(=O)CCCC(C)OC2=O",
   "targets": [
    "UNP:P63086"
   ]
  },
  {
   "line": 2835,
   "comp_id": "4G0",
   "ikey_connectivity": "RDIFHHLWNIKHIH",
   "smiles": "CN(C)c1cccc(CNc2ccc(C(N)=O)cn2)c1",
   "targets": [
    "UNP:P43912"
   ]
  },
  {
   "line": 7568,
   "comp_id": "A1AZV",
   "ikey_connectivity": "MKRNLNKKKZHBNP",
   "smiles": "CCn1c(-c2cccnc2C(C)OC)c2c3cc(ccc31)-c1cc(O)cc(c1)CC(NC(=O)C(C1CCCC1)N(C)C(C)=O)C(=O)N1CCCC(N1)C(=O)OCC(C)(C)C2",
   "targets": [
    "UNP:P01116",
    "UNP:P62937"
   ]
  },
  {
   "line": 26411,
   "comp_id": "XTQ",
   "ikey_connectivity": "WKFOGPZROGWINE",
   "smiles": "CC(C)CC(CN)n1ccc2c(-c3cccnc3)cccc2c1=O",
   "targets": [
    "UNP:P49366"
   ]
  },
  {
   "line": 24614,
   "comp_id": "V4B",
   "ikey_connectivity": "IZDCFUQZXAMRMC",
   "smiles": "Cc1nc(C(F)(F)F)ccc1C(=O)Oc1cc(C=O)ccc1[N+](=O)[O-]",
   "targets": [
    "UNP:P31947",
    "UNP:Q04206"
   ]
  },
  {
   "line": 26782,
   "comp_id": "YAK",
   "ikey_connectivity": "PAEBVIJMNXTTAT",
   "smiles": "CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(C1=C(O)C3CCCC3N(Cc3ccc(F)cc3)C1=O)=N2",
   "targets": [
    "UNP:P26663"
   ]
  },
  {
   "line": 17289,
   "comp_id": "JUA",
   "ikey_connectivity": "DFDOZFPFRRTBOJ",
   "smiles": "COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3S(=O)(=O)CCCNC(=O)C(N)CCCCN)n2)c1",
   "targets": [
    "UNP:A0A024X378"
   ]
  },
  {
   "line": 12822,
   "comp_id": "D84",
   "ikey_connectivity": "DNTKSNFCNRDJAC",
   "smiles": "O=C1CCCN1c1cccc(OCc2nc3ccc(-c4ccc(=O)[nH]c4)cc3n2Cc2ccccc2OC(F)F)c1",
   "targets": [
    "UNP:P01375"
   ]
  },
  {
   "line": 25778,
   "comp_id": "WXO",
   "ikey_connectivity": "LLNQFWFHQRNMTN",
   "smiles": "O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCCCCC3)cnc2[nH]1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 4193,
   "comp_id": "6DC",
   "ikey_connectivity": "VBLJFIYCXZTIPN",
   "smiles": "CCCS(=O)(=O)Nc1cccc(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N",
   "targets": [
    "UNP:P15056"
   ]
  },
  {
   "line": 1582,
   "comp_id": "2H8",
   "ikey_connectivity": "OTOZLTSLQBBOIB",
   "smiles": "CCC(CC)OC1CC(C(=O)O)=CC(N)C1NC(C)=O",
   "targets": [
    "UNP:Q07599"
   ]
  },
  {
   "line": 14670,
   "comp_id": "G0O",
   "ikey_connectivity": "ZUTCRKIDPCRTLZ",
   "smiles": "CC(CS)C(=O)Nc1cccc(-c2nn[nH]n2)c1",
   "targets": [
    "UNP:Q9K2N0"
   ]
  },
  {
   "line": 25635,
   "comp_id": "WQB",
   "ikey_connectivity": "SASBEAQTFLSSHQ",
   "smiles": "CCCCCCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1",
   "targets": [
    "UNP:O75469"
   ]
  },
  {
   "line": 15781,
   "comp_id": "HO8",
   "ikey_connectivity": "AAEATOJNNUJMHY",
   "smiles": "Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(N2CCOCC2)nc(-n2ccnc2)n1",
   "targets": [
    "UNP:P29317"
   ]
  },
  {
   "line": 24504,
   "comp_id": "UYH",
   "ikey_connectivity": "DCLTVZLYPPIIID",
   "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC",
   "targets": [
    "UNP:A0A143BHR2",
    "UNP:A0A143BHR6",
    "UNP:A0A143BHS7",
    "UNP:A0A143BHS8",
    "UNP:A0A143BJ28",
    "UNP:A0A143BK87"
   ]
  },
  {
   "line": 19894,
   "comp_id": "NX8",
   "ikey_connectivity": "QORMXDVXCHKGRB",
   "smiles": "Nc1ncnc2c1ncn2C1OC(C(=O)NCC2CCNCC2)C(O)C1O",
   "targets": [
    "UNP:Q86U44",
    "UNP:Q9HCE5"
   ]
  },
  {
   "line": 5620,
   "comp_id": "8A7",
   "ikey_connectivity": "HAAXAFNSRADSMK",
   "smiles": "Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 18685,
   "comp_id": "LUV",
   "ikey_connectivity": "HDCOHCMVDIFBPR",
   "smiles": "O=C(CCCCC1SCC2NC(=O)NC21)NCCNC(=O)c1c(-c2ccccc2)cccc1-c1ccccc1",
   "targets": [
    "UNP:P22629"
   ]
  },
  {
   "line": 3431,
   "comp_id": "5BW",
   "ikey_connectivity": "INAICWLVUAKEPB",
   "smiles": "O=C(C=CN1CC2CC1CN2c1ccccn1)c1ccccc1O",
   "targets": [
    "UNP:P51531"
   ]
  },
  {
   "line": 20513,
   "comp_id": "OU4",
   "ikey_connectivity": "JUUSNAFIFJKARW",
   "smiles": "Cc1cc(N)nc2cc(-c3ccc(OCc4cocn4)c(CN)c3)ccc12",
   "targets": [
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 137,
   "comp_id": "098",
   "ikey_connectivity": "UACUZULRKJKTHE",
   "smiles": "O=C(NC1c2ccccc2CC1O)C(Cc1cccc(O)c1)C(NCC1CC1)C(=O)NO",
   "targets": [
    "UNP:Q9UNA0"
   ]
  },
  {
   "line": 12494,
   "comp_id": "CQ9",
   "ikey_connectivity": "APLKWZASYUZSBL",
   "smiles": "CN1C(=O)c2ccccc2NC(=O)C12OC2c1ccccc1",
   "targets": [
    "UNP:Q5AR53"
   ]
  },
  {
   "line": 21632,
   "comp_id": "QJY",
   "ikey_connectivity": "QXYZQWZEXVYYJE",
   "smiles": "CC(C)CN(CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)OC1CCOC2OCCC12)S(=O)(=O)c1ccc2nc(NC(C)C)sc2c1",
   "targets": [
    "UNP:P03367"
   ]
  },
  {
   "line": 27177,
   "comp_id": "YQM",
   "ikey_connectivity": "AKLMFDDQCHURPW",
   "smiles": "CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4CC3CC12",
   "targets": [
    "UNP:A0A009I821",
    "UNP:A0A009L7S8",
    "UNP:A0A062DJ58",
    "UNP:A0A062DNQ5",
    "UNP:A0A062FAE9",
    "UNP:A0A062FDM9",
    "UNP:A0A062FG91",
    "UNP:A0A062FI44",
    "UNP:A0A062FRJ6",
    "UNP:A0A1V3DIZ9",
    "UNP:A0A372FJT1",
    "UNP:A0A7U3Y808",
    "UNP:A0A7U3Y815",
    "UNP:A0A7U3Y9I4",
    "UNP:A0A7U4DFF9",
    "UNP:A0A7U4DI31",
    "UNP:B7I2K7",
    "UNP:B7I3U0",
    "UNP:B7I4T0",
    "UNP:B7I5N9",
    "UNP:B7I693",
    "UNP:B7I694",
    "UNP:B7I6V8",
    "UNP:B7I6V9",
    "UNP:B7I7A4",
    "UNP:B7I7B6",
    "UNP:B7I7R9",
    "UNP:B7I7S0",
    "UNP:B7I9B0",
    "UNP:B7IA13",
    "UNP:B7IA15",
    "UNP:B7IA16",
    "UNP:B7IA17",
    "UNP:B7IA18",
    "UNP:B7IA20",
    "UNP:B7IA21",
    "UNP:B7IA22",
    "UNP:B7IA23",
    "UNP:B7IA24",
    "UNP:B7IA25",
    "UNP:B7IA26",
    "UNP:B7IA27",
    "UNP:B7IA28",
    "UNP:B7IA29",
    "UNP:B7IA30",
    "UNP:B7IA31",
    "UNP:B7IA32",
    "UNP:B7IA33",
    "UNP:B7IA35",
    "UNP:B7IA36",
    "UNP:B7IA37",
    "UNP:B7IA38",
    "UNP:B7IA39",
    "UNP:B7IA40",
    "UNP:B7IAS9",
    "UNP:B7IAT2",
    "UNP:B7IBC1",
    "UNP:B7IBC2",
    "UNP:B7IBC3",
    "UNP:B7IBH8",
    "UNP:N9JUR3",
    "UNP:P02359",
    "UNP:P0A7R5",
    "UNP:P0A7S9",
    "UNP:P0A7U3",
    "UNP:P0A7V0",
    "UNP:P0A7V3",
    "UNP:P0A7X3",
    "UNP:P0AG59",
    "UNP:Q2FD94",
    "UNP:V5V9N0",
    "UNP:V5VBA5",
    "UNP:V5VBC2",
    "UNP:V5VGC9"
   ]
  },
  {
   "line": 1932,
   "comp_id": "31S",
   "ikey_connectivity": "KXEKGLNMBLODQT",
   "smiles": "O=C(O)C=C(CCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1",
   "targets": [
    "UNP:O15530"
   ]
  },
  {
   "line": 27021,
   "comp_id": "YKP",
   "ikey_connectivity": "YRNJEPAFOLVHMN",
   "smiles": "CC(C)CC(NC(=O)OC(C)C1CCC(F)(F)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 7724,
   "comp_id": "A1B5I",
   "ikey_connectivity": "OUROYAJWZKVYSV",
   "smiles": "NC(=O)C1CCC(=O)N(C2CCCc3ccccc32)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 5252,
   "comp_id": "7SO",
   "ikey_connectivity": "LGXHFVDKQXJKGL",
   "smiles": "Cn1cc(C#CCn2cnc3c(c(-c4cccc(C#N)c4)cn3CC(=O)Nc3ccncc3Cl)c2=O)cn1",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 7856,
   "comp_id": "A1BCX",
   "ikey_connectivity": "GUJIFRXGODKXNA",
   "smiles": "COc1cccc2[nH]c(C(=O)NC(CC3CC3)C(=O)NC(CO)CC3CCNC3=O)cc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 19402,
   "comp_id": "N44",
   "ikey_connectivity": "GNIJPYFYNUUVOY",
   "smiles": "C=CCN(Cc1ccccc1C(=O)NCc1ccccc1)Cc1ccc2c(c1C(=O)[O-])OCO2",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 9513,
   "comp_id": "A1I06",
   "ikey_connectivity": "NMXPPJNMGXWERA",
   "smiles": "CCc1sc2ncnc(NC(Cc3ccccc3OC)C(=O)O)c2c1-c1cccc(Cl)c1C",
   "targets": [
    "UNP:Q07820"
   ]
  },
  {
   "line": 7710,
   "comp_id": "A1B52",
   "ikey_connectivity": "FMBXRAUPCZLXGY",
   "smiles": "CSc1ccc(Br)cc1CC(=O)N1CC(C(N)=O)CCC1C",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 3196,
   "comp_id": "50Z",
   "ikey_connectivity": "UJHTWFHWKSDNFF",
   "smiles": "C=CCNc1nc(N)c(C(=O)c2ccccn2)s1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 22338,
   "comp_id": "RIU",
   "ikey_connectivity": "XNJZKRXHKUJCAT",
   "smiles": "CN(C)CCOc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 14071,
   "comp_id": "F42",
   "ikey_connectivity": "GEHSZWRGPHDXJO",
   "smiles": "CC(OP(=O)(O)OCC(O)C(O)C(O)Cn1c2nc(=O)[nH]c(=O)c-2cc2ccc(O)cc21)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O",
   "targets": [
    "UNP:A0A561UC02",
    "UNP:A0R6F1",
    "UNP:D9PYF6",
    "UNP:D9PYF7",
    "UNP:D9PYF9",
    "UNP:O06553",
    "UNP:O28028",
    "UNP:O29370",
    "UNP:O93734",
    "UNP:P94951",
    "UNP:P96809",
    "UNP:P9WNE1",
    "UNP:P9WP11",
    "UNP:P9WP15",
    "UNP:P9WP79",
    "UNP:Q58929",
    "UNP:Q5YUF0",
    "UNP:Q5YYT7"
   ]
  },
  {
   "line": 3708,
   "comp_id": "5P6",
   "ikey_connectivity": "FMNWOBLAZAYOSG",
   "smiles": "CC(C)CC(N)c1cc(C#N)c2cc(-c3ccncc3)ccc2n1",
   "targets": [
    "UNP:Q3UHJ0"
   ]
  },
  {
   "line": 2376,
   "comp_id": "3RO",
   "ikey_connectivity": "QORUWPNKQKIBAJ",
   "smiles": "O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1cccc(Cl)c1",
   "targets": [
    "UNP:Q4D3W2"
   ]
  },
  {
   "line": 6527,
   "comp_id": "9JO",
   "ikey_connectivity": "WVLWGBZNXIVAKC",
   "smiles": "CCC(=O)NC1CCC(N2C(=O)N(c3ccccc3Cl)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)CC1",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 9862,
   "comp_id": "A1ILW",
   "ikey_connectivity": "NLVAPRIBNJZHAA",
   "smiles": "CCC(=O)N(c1ccc(OC2CCC(NC(=O)NC3CCS(=O)(=O)C3)C2)c(F)c1)C(CC(N)=O)c1ccc(Cl)cc1",
   "targets": [
    "UNP:Q16548"
   ]
  },
  {
   "line": 14563,
   "comp_id": "FVJ",
   "ikey_connectivity": "SVULJAPKAMXBBJ",
   "smiles": "Cc1cc(Cn2c(N3CCNCC3)nc3c(-c4c(C)n[nH]c4C)cc(Cl)cc32)cc(C)c1F",
   "targets": [
    "UNP:P01112",
    "UNP:Q07889"
   ]
  },
  {
   "line": 24747,
   "comp_id": "VC2",
   "ikey_connectivity": "IKSIYRPSHTUWIX",
   "smiles": "CC1(C)SC2CSC(CS)N2C1C(=O)O",
   "targets": [
    "UNP:P52700"
   ]
  },
  {
   "line": 16293,
   "comp_id": "IHZ",
   "ikey_connectivity": "SAAYRHKJHDIDPH",
   "smiles": "Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)=O)c1",
   "targets": [
    "UNP:Q15375"
   ]
  },
  {
   "line": 1926,
   "comp_id": "31A",
   "ikey_connectivity": "WTWXRFGIIFJWMN",
   "smiles": "COc1cccc(CC(=N)NC(=O)c2ccccc2OC2CCNCC2)c1",
   "targets": [
    "UNP:A5K1A2",
    "UNP:P30419",
    "UNP:Q4Q5S8"
   ]
  },
  {
   "line": 3461,
   "comp_id": "5D8",
   "ikey_connectivity": "LDXVRBOROSJVJC",
   "smiles": "CCOC(=O)c1csc(-c2nc(-c3csc(C(N)CCCNC(=N)N)n3)oc2C)n1",
   "targets": [
    "UNP:A7Z2A9"
   ]
  },
  {
   "line": 4765,
   "comp_id": "76J",
   "ikey_connectivity": "RFJREUSTWBSNNC",
   "smiles": "CCCCC[NH2+]C(CCC([NH3+])C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q9BYW2"
   ]
  },
  {
   "line": 3141,
   "comp_id": "4Y6",
   "ikey_connectivity": "ICXVPFPYYBKMTL",
   "smiles": "CC1(C(=O)O)CC=C(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)CC1",
   "targets": [
    "UNP:P51449"
   ]
  },
  {
   "line": 17525,
   "comp_id": "K62",
   "ikey_connectivity": "GNJDFMNCMAQPGN",
   "smiles": "CC(=O)c1cccc(N2CC(C(=O)NC(Cc3ccccc3)C(O)CN(CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)OC2=O)c1",
   "targets": [
    "UNP:P03369"
   ]
  },
  {
   "line": 17780,
   "comp_id": "KJ5",
   "ikey_connectivity": "HHQRZAKPYDZJGB",
   "smiles": "CCc1c(F)c(F)c(S(N)(=O)=O)c(F)c1F",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 3081,
   "comp_id": "4UW",
   "ikey_connectivity": "DTAKVQMQJSRZPC",
   "smiles": "COC1=CC(C=CC(=O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)=CCC1=O",
   "targets": [
    "UNP:O24146"
   ]
  },
  {
   "line": 27337,
   "comp_id": "YZY",
   "ikey_connectivity": "DOZKMFVMCATMEH",
   "smiles": "CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC",
   "targets": [
    "UNP:A0A076JQ90",
    "UNP:P08754",
    "UNP:P48995",
    "UNP:Q9QX29",
    "UNP:Q9RFC8",
    "UNP:Q9UL62",
    "UNP:Q9VJJ7"
   ]
  },
  {
   "line": 2222,
   "comp_id": "3II",
   "ikey_connectivity": "TWOVSEVREOPZGM",
   "smiles": "COc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)CN3c2ccccc2)c(OC)c1",
   "targets": [
    "UNP:P9WHH9"
   ]
  },
  {
   "line": 4629,
   "comp_id": "6ZT",
   "ikey_connectivity": "YBMQYNARIZUNIO",
   "smiles": "COc1ccccc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OCCN(C)C)C2=O",
   "targets": [
    "UNP:Q00987"
   ]
  },
  {
   "line": 12866,
   "comp_id": "DAN",
   "ikey_connectivity": "JINJZWSZQKHCIP",
   "smiles": "CC(=O)NC1C(O)C=C(C(=O)O)OC1C(O)C(O)CO",
   "targets": [
    "UNP:A0A0H2UQE4",
    "UNP:A0A4S2B4D9",
    "UNP:A0A8B2VIR8",
    "UNP:A7B557",
    "UNP:B2ULI1",
    "UNP:K5BUM2",
    "UNP:O44049",
    "UNP:P03472",
    "UNP:P04850",
    "UNP:P0C6E9",
    "UNP:P29768",
    "UNP:P32884",
    "UNP:P44542",
    "UNP:P62575",
    "UNP:P62576",
    "UNP:Q02834",
    "UNP:Q07599",
    "UNP:Q0PA47",
    "UNP:Q26966",
    "UNP:Q27701",
    "UNP:Q4WQS0",
    "UNP:Q54727",
    "UNP:Q59310",
    "UNP:Q6WJ03",
    "UNP:Q6XV27",
    "UNP:Q73QH2",
    "UNP:Q7MX62",
    "UNP:Q82500",
    "UNP:Q9Q2W5",
    "UNP:Q9Y3R4"
   ]
  },
  {
   "line": 16337,
   "comp_id": "IK8",
   "ikey_connectivity": "OFJRNBWSFXEHSA",
   "smiles": "CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1",
   "targets": [
    "UNP:P00742"
   ]
  },
  {
   "line": 24994,
   "comp_id": "VO6",
   "ikey_connectivity": "JCYZMTMYPZHVBF",
   "smiles": "Nc1nc(N)nc(Nc2ccc([As]3SCC(CO)S3)cc2)n1",
   "targets": [
    "UNP:Q6ZXT3"
   ]
  },
  {
   "line": 26376,
   "comp_id": "XRU",
   "ikey_connectivity": "HXBOSXZAYFFVMO",
   "smiles": "CCN(CC)CCNC(=O)c1cc(NC(=O)N2CCC(N(CC)CC)C2)ccc1Cl",
   "targets": [
    "UNP:Q15047"
   ]
  },
  {
   "line": 2940,
   "comp_id": "4MJ",
   "ikey_connectivity": "ONNNUKUOTDQQGL",
   "smiles": "Cc1cc2c3c(c1C)C(C)(C)CC(C(=O)Cc1ccccc1)N3c1c([nH]c(=O)[nH]c1=O)N2CC(O)C(O)C(O)COP(=O)(O)O",
   "targets": [
    "UNP:A2QHE5"
   ]
  },
  {
   "line": 3634,
   "comp_id": "5L9",
   "ikey_connectivity": "HHUQPWODPBDTLI",
   "smiles": "OC(Cc1ccccc1Cl)(Cn1cncn1)C1(Cl)CC1",
   "targets": [
    "UNP:A6ZSR0"
   ]
  },
  {
   "line": 263,
   "comp_id": "0I6",
   "ikey_connectivity": "WMOBOLCMHUIFRY",
   "smiles": "COc1cc([Te]CC(O)C[Se]c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 10424,
   "comp_id": "A1JN1",
   "ikey_connectivity": "LWGGNTWUQKSVCY",
   "smiles": "CNC(=O)c1cncc(N2CCC(c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)C2)c1",
   "targets": [
    "UNP:Q08345"
   ]
  },
  {
   "line": 21270,
   "comp_id": "Q1Y",
   "ikey_connectivity": "KGSBEYKVWODBRD",
   "smiles": "O=C(NCc1[nH]nc2ccccc12)c1cc(C2CCNCC2COc2ccc3c(c2)OCO3)ccc1F",
   "targets": [
    "UNP:P25098",
    "UNP:P62871",
    "UNP:P63212"
   ]
  },
  {
   "line": 18010,
   "comp_id": "KVA",
   "ikey_connectivity": "FESMMSZGNQNLCH",
   "smiles": "O=C(O)c1cc(I)c(-n2cc(F)c(F)c2)c(I)c1O",
   "targets": [
    "UNP:P04637"
   ]
  },
  {
   "line": 24770,
   "comp_id": "VD2",
   "ikey_connectivity": "OZPNRDQPQFOURL",
   "smiles": "CC(CCCC(C)(C)O)C1CCC2C(=CC=C3CC(O)C(C)C(O)C3)CCCC21C",
   "targets": [
    "UNP:P13053",
    "UNP:Q15648"
   ]
  },
  {
   "line": 16456,
   "comp_id": "IQP",
   "ikey_connectivity": "BDVFVCGFMNCYPV",
   "smiles": "CC1CNCCN1S(=O)(=O)c1cccc2cnccc12",
   "targets": [
    "UNP:P25321",
    "UNP:P61925"
   ]
  },
  {
   "line": 4504,
   "comp_id": "6TD",
   "ikey_connectivity": "ZXLRTUDCUYHDLP",
   "smiles": "COc1ccc(Cc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1",
   "targets": [
    "UNP:P08581"
   ]
  },
  {
   "line": 19118,
   "comp_id": "MMM",
   "ikey_connectivity": "ASXDVUDIJQGHKR",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(C=NC(C)(CO)C(=O)O)c1O",
   "targets": [
    "UNP:Q5SLX0"
   ]
  },
  {
   "line": 24188,
   "comp_id": "UHC",
   "ikey_connectivity": "HGKMRNVHDOTSFB",
   "smiles": "CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O",
   "targets": [
    "UNP:O25286",
    "UNP:Q5EDC8"
   ]
  },
  {
   "line": 19199,
   "comp_id": "MTI",
   "ikey_connectivity": "CEGIKIXYDFDYDN",
   "smiles": "CSCC1[NH2+]C(c2c[nH]c3c(=O)[nH]cnc23)C(O)C1O",
   "targets": [
    "UNP:Q8I3X4"
   ]
  },
  {
   "line": 14482,
   "comp_id": "FQN",
   "ikey_connectivity": "XYBBSEAKIBCXQV",
   "smiles": "O=c1[nH]cnc2c(-n3cc(C4CCN(C5CCCC5)CC4)cn3)nccc12",
   "targets": [
    "UNP:O75164",
    "UNP:Q9UGL1"
   ]
  },
  {
   "line": 12349,
   "comp_id": "CHW",
   "ikey_connectivity": "OFCDDOBCQZHXDK",
   "smiles": "CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC=C(C)C(C)O",
   "targets": [
    "UNP:Q02127"
   ]
  },
  {
   "line": 3742,
   "comp_id": "5RH",
   "ikey_connectivity": "GBOGMAARMMDZGR",
   "smiles": "C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23OC(=O)C=CC(O)CCCC(C)CC=CC3C1O",
   "targets": [
    "UNP:P14672"
   ]
  },
  {
   "line": 11596,
   "comp_id": "B98",
   "ikey_connectivity": "TXYKBKYDFZQOCB",
   "smiles": "COc1ccc2sc3c(c2c1)NCC(CN)NC3=O",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 1170,
   "comp_id": "1V3",
   "ikey_connectivity": "IFNDLWHUYFSXBK",
   "smiles": "O=c1cc(-c2ccccc2)oc2ccc(Cl)cc12",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 4588,
   "comp_id": "6XO",
   "ikey_connectivity": "XUMUUEQXPBWJGZ",
   "smiles": "CC(C)CC(NP(=O)(O)CNC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)O",
   "targets": [
    "UNP:P00800"
   ]
  },
  {
   "line": 694,
   "comp_id": "16L",
   "ikey_connectivity": "DRLFABBDFNCSSQ",
   "smiles": "C=CC(=O)Nc1cccc(C=Cc2cc(C)c(O)c(C)c2)c1",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 7624,
   "comp_id": "A1B2A",
   "ikey_connectivity": "FQLFBKZMFUCKAK",
   "smiles": "CN1c2ccccc2CC1C(=O)N1CCCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 5805,
   "comp_id": "8K9",
   "ikey_connectivity": "ITCUJNFERKWPKY",
   "smiles": "CCC(C)(C)c1ccc(OCC(O)CN2CC3CC(C2)c2cccc(=O)n2C3)c(C(C)(C)CC)c1",
   "targets": [
    "UNP:Q8IXJ6"
   ]
  },
  {
   "line": 517,
   "comp_id": "0WC",
   "ikey_connectivity": "OKFYOOFXVBCIIP",
   "smiles": "CC(O)(C#Cc1ccc2c(c1)N(c1nc(N)ncc1Cl)CC2)c1nccs1",
   "targets": [
    "UNP:Q9WUL6"
   ]
  },
  {
   "line": 14674,
   "comp_id": "G0T",
   "ikey_connectivity": "HEOWDABLEHTSBE",
   "smiles": "COc1ccc(CNC(=O)c2ccccc2CN(C)Cc2ccc3c(c2C(=O)O)OCC(CCC(=O)O)O3)cc1",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 16391,
   "comp_id": "IMH",
   "ikey_connectivity": "IWKXDMQDITUYRK",
   "smiles": "O=c1[nH]cnc2c(C3NC(CO)C(O)C3O)c[nH]c12",
   "targets": [
    "UNP:A0A0H2YR30",
    "UNP:A2EYV3",
    "UNP:B6T563",
    "UNP:B6THD4",
    "UNP:K9TVX3",
    "UNP:P55859",
    "UNP:P9WP01",
    "UNP:Q2HXR2",
    "UNP:Q5LAA3",
    "UNP:Q8I3X4",
    "UNP:Q9GPQ4"
   ]
  },
  {
   "line": 13017,
   "comp_id": "DL4",
   "ikey_connectivity": "PSXQJZDFWDKBIP",
   "smiles": "CC(CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(=O)O",
   "targets": [
    "UNP:A0A4E9F2L4",
    "UNP:Q15788",
    "UNP:Q9UBK2",
    "UNP:Q9XZJ5"
   ]
  },
  {
   "line": 15686,
   "comp_id": "HHW",
   "ikey_connectivity": "LCXLBLQWTJEACF",
   "smiles": "O=C(O)C=Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 7194,
   "comp_id": "A1AEQ",
   "ikey_connectivity": "LFXNQATVKSUQRE",
   "smiles": "CC(=CC=O)c1ccc(-c2ccc(N(C)C)cc2)s1",
   "targets": [
    "UNP:P50120"
   ]
  },
  {
   "line": 11135,
   "comp_id": "AHK",
   "ikey_connectivity": "KRBLCAFSNUMAQS",
   "smiles": "CCc1ccccc1-c1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1Cl",
   "targets": [
    "UNP:P68400"
   ]
  },
  {
   "line": 5908,
   "comp_id": "8OY",
   "ikey_connectivity": "PIPBPJWDZSBLMQ",
   "smiles": "O=C(O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Nc2ccccc2)c1",
   "targets": [
    "UNP:O40922"
   ]
  },
  {
   "line": 8019,
   "comp_id": "A1BN7",
   "ikey_connectivity": "GAJBKOBGGSAGFE",
   "smiles": "NC(=O)C1CCCN(C(=O)C(F)(F)c2cnsc2Cl)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 9574,
   "comp_id": "A1I4J",
   "ikey_connectivity": "BXXIEIRBQPUUPB",
   "smiles": "c1cc(C2(n3cc(-c4cncc(N5CCCC5)n4)nn3)COC2)ncc1N1CCCC(NCC2CC2)C1",
   "targets": [
    "UNP:Q86U44",
    "UNP:Q9HCE5"
   ]
  },
  {
   "line": 13253,
   "comp_id": "DZ3",
   "ikey_connectivity": "HHFKUQZPNITQLU",
   "smiles": "Cc1cc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc(C)c1O",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 16561,
   "comp_id": "IW6",
   "ikey_connectivity": "HGWBUXCGPMRHAS",
   "smiles": "COc1cccc(OC)c1C=Cc1cc(Br)c(N)c(Br)c1",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 16902,
   "comp_id": "JBO",
   "ikey_connectivity": "NOOCSNJCXJYGPE",
   "smiles": "Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F",
   "targets": [
    "UNP:P30043"
   ]
  },
  {
   "line": 601,
   "comp_id": "117",
   "ikey_connectivity": "XUKUURHRXDUEBC",
   "smiles": "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O",
   "targets": [
    "UNP:P04035",
    "UNP:P11716",
    "UNP:P16960",
    "UNP:P62166",
    "UNP:P68106",
    "UNP:Q9Y6L6"
   ]
  },
  {
   "line": 21594,
   "comp_id": "QII",
   "ikey_connectivity": "HVEHZOYFHBQABO",
   "smiles": "Nc1ncnc2c1ncn2C1OC(CN(CCC2CCCN2)CCC(N)C(=O)O)C(O)C1O",
   "targets": [
    "UNP:Q9UI30",
    "UNP:Q9Y5N5"
   ]
  },
  {
   "line": 17084,
   "comp_id": "JKR",
   "ikey_connectivity": "ZWBSUQKVIPHNOV",
   "smiles": "O=P(O)(OCCCOc1cccc2c(O)cccc12)OCCCOc1cccc2c(OCCCOP(O)O)cccc12",
   "targets": [
    "UNP:P00734"
   ]
  },
  {
   "line": 24626,
   "comp_id": "V51",
   "ikey_connectivity": "JWHCFABOVLDALW",
   "smiles": "NS(=O)(=O)c1c(F)c(F)c(NC23CC4CC(CC(C4)C2)C3)c(F)c1F",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 20531,
   "comp_id": "OV5",
   "ikey_connectivity": "GRSCUMLWKVMZMN",
   "smiles": "CCNC(=O)c1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c2C(=O)N=C3)nc1",
   "targets": [
    "UNP:P52333"
   ]
  },
  {
   "line": 16737,
   "comp_id": "J3F",
   "ikey_connectivity": "LTRSSWCLZRFXEC",
   "smiles": "CCN(CC)c1ccc2c(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)cc(=O)oc2c1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 24697,
   "comp_id": "V9J",
   "ikey_connectivity": "UDBMVVLTKJMPCJ",
   "smiles": "Oc1ccc(Oc2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 2865,
   "comp_id": "4HX",
   "ikey_connectivity": "CTHMJCQUZVLLJU",
   "smiles": "N=C(NCCCC(N)C(=O)N(O)C1CNC(C(N)=O)C1)N[N+](=O)[O-]",
   "targets": [
    "UNP:P29476"
   ]
  },
  {
   "line": 20943,
   "comp_id": "PI7",
   "ikey_connectivity": "GGJVAHWDPSGNIX",
   "smiles": "CCC(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(O)CNC1Cc2ccc(cc2)OCCCNC(=O)C(C(C)CC)NC1=O)C(C)C",
   "targets": [
    "UNP:P03369"
   ]
  },
  {
   "line": 23540,
   "comp_id": "TFO",
   "ikey_connectivity": "SGOIRFVFHAKUTI",
   "smiles": "CC(Cn1cnc2c(N)ncnc21)OCP(=O)(O)O",
   "targets": [
    "UNP:O35956"
   ]
  },
  {
   "line": 26598,
   "comp_id": "Y2V",
   "ikey_connectivity": "RWJVYBNMCXCYMJ",
   "smiles": "Cc1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)o1",
   "targets": [
    "UNP:Q8WWQ0"
   ]
  },
  {
   "line": 8187,
   "comp_id": "A1BTP",
   "ikey_connectivity": "XABRTHMDLNMZPM",
   "smiles": "C=CCn1c(C)c(-n2nnc3ccccc32)c(=O)n(-c2cncc3ccccc23)c1=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 13822,
   "comp_id": "EQH",
   "ikey_connectivity": "UESQMXBXMMVHBA",
   "smiles": "Nc1ncc(-c2sccc2C2CC2)nc1C1CCC(C(=O)O)CC1",
   "targets": [
    "UNP:P51955"
   ]
  },
  {
   "line": 1811,
   "comp_id": "2V6",
   "ikey_connectivity": "JEEOGRYTTNEULC",
   "smiles": "Cc1cc(Nc2cc(F)c(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)nc2n1",
   "targets": [
    "UNP:Q02127",
    "UNP:Q08210",
    "UNP:Q63707"
   ]
  },
  {
   "line": 10822,
   "comp_id": "A1LYW",
   "ikey_connectivity": "RYRZHZDRYZHUCF",
   "smiles": "CCCCCC=CC(=O)OC1CC(C)(C)C2(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC3=C(C)CC(O)CC3(C)C)OC2(C)C1",
   "targets": [
    "UNP:Q3B9V0"
   ]
  },
  {
   "line": 27729,
   "comp_id": "ZVU",
   "ikey_connectivity": "WAMHSAKMZVUOGV",
   "smiles": "CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCc2ccc(F)cc2)n1C",
   "targets": [
    "UNP:P9WPA7"
   ]
  },
  {
   "line": 1753,
   "comp_id": "2S9",
   "ikey_connectivity": "FTSMDZBUBLYVKI",
   "smiles": "N#Cc1ccc(OCCCN2CCC(C(O)(c3cccc(F)c3)C3CCCC3)CC2)cc1",
   "targets": [
    "UNP:O00255"
   ]
  },
  {
   "line": 18405,
   "comp_id": "LFK",
   "ikey_connectivity": "IZVHEBMVWHVUFW",
   "smiles": "O=C(O)c1cccc(OC(=O)c2cccc(O)c2)c1",
   "targets": [
    "UNP:A0A022MQ12"
   ]
  },
  {
   "line": 19475,
   "comp_id": "N7Q",
   "ikey_connectivity": "ITNSBESGJFQCLA",
   "smiles": "CCC(=O)Nc1cc(-c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)ccc1OCCO",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 12582,
   "comp_id": "CVR",
   "ikey_connectivity": "WXTUXMLWWNQYJT",
   "smiles": "N=c1c2ncn3c2ncn1C1CC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O",
   "targets": [
    "UNP:P28907"
   ]
  },
  {
   "line": 6302,
   "comp_id": "98C",
   "ikey_connectivity": "RXVZBFSJKBZCTM",
   "smiles": "COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1",
   "targets": [
    "UNP:Q8IVV7"
   ]
  },
  {
   "line": 14721,
   "comp_id": "G3D",
   "ikey_connectivity": "HEYSFDAMRDTCJM",
   "smiles": "Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C2O)c(=O)[nH]1",
   "targets": [
    "UNP:A0A1D8PJ64",
    "UNP:O31896",
    "UNP:P05388",
    "UNP:P08708",
    "UNP:P08865",
    "UNP:P15880",
    "UNP:P18077",
    "UNP:P18124",
    "UNP:P18621",
    "UNP:P19146",
    "UNP:P20290",
    "UNP:P23396",
    "UNP:P25398",
    "UNP:P26373",
    "UNP:P30050",
    "UNP:P30419",
    "UNP:P32969",
    "UNP:P35268",
    "UNP:P36578",
    "UNP:P39019",
    "UNP:P39023",
    "UNP:P40429",
    "UNP:P42677",
    "UNP:P42766",
    "UNP:P46776",
    "UNP:P46777",
    "UNP:P46778",
    "UNP:P46779",
    "UNP:P46781",
    "UNP:P46782",
    "UNP:P46783",
    "UNP:P47914",
    "UNP:P49207",
    "UNP:P50914",
    "UNP:P51157",
    "UNP:P60866",
    "UNP:P61247",
    "UNP:P61254",
    "UNP:P61313",
    "UNP:P61353",
    "UNP:P61513",
    "UNP:P61927",
    "UNP:P62081",
    "UNP:P62241",
    "UNP:P62244",
    "UNP:P62249",
    "UNP:P62263",
    "UNP:P62266",
    "UNP:P62269",
    "UNP:P62273",
    "UNP:P62277",
    "UNP:P62280",
    "UNP:P62424",
    "UNP:P62495",
    "UNP:P62701",
    "UNP:P62750",
    "UNP:P62753",
    "UNP:P62829",
    "UNP:P62841",
    "UNP:P62847",
    "UNP:P62851",
    "UNP:P62854",
    "UNP:P62857",
    "UNP:P62861",
    "UNP:P62888",
    "UNP:P62891",
    "UNP:P62899",
    "UNP:P62910",
    "UNP:P62913",
    "UNP:P62917",
    "UNP:P62945",
    "UNP:P62979",
    "UNP:P62987",
    "UNP:P63173",
    "UNP:P63220",
    "UNP:P63244",
    "UNP:P83731",
    "UNP:P83881",
    "UNP:P84077",
    "UNP:P84080",
    "UNP:P84098",
    "UNP:Q02543",
    "UNP:Q02878",
    "UNP:Q07020",
    "UNP:Q13765",
    "UNP:Q96L21",
    "UNP:Q99418",
    "UNP:Q9Y3U8",
    "UNP:Q9Y689"
   ]
  },
  {
   "line": 5460,
   "comp_id": "824",
   "ikey_connectivity": "IAUZTOZLTFSMIE",
   "smiles": "O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(O)cc3c21",
   "targets": [
    "UNP:O14976",
    "UNP:P30291"
   ]
  },
  {
   "line": 1113,
   "comp_id": "1S0",
   "ikey_connectivity": "RGWHQCVHVJXOKC",
   "smiles": "Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1",
   "targets": [
    "UNP:P06746",
    "UNP:Q9UGP5"
   ]
  },
  {
   "line": 22575,
   "comp_id": "RVO",
   "ikey_connectivity": "SILGAHKEYSAGRL",
   "smiles": "Nc1ncnc(N2CCC(Oc3ccncc3)C2)c1Cl",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 12768,
   "comp_id": "D5S",
   "ikey_connectivity": "JWQFKVGACKJIAV",
   "smiles": "O=C(O)c1cc(Cc2ccc(O)c(C(=O)O)c2)ccc1O",
   "targets": [
    "UNP:P23368"
   ]
  },
  {
   "line": 27541,
   "comp_id": "ZKC",
   "ikey_connectivity": "BHKADWPHBGQYGQ",
   "smiles": "CC(C)(C)OC(=O)Nc1cccc(CNC(=O)N2CCN(C(=O)c3ccco3)CC2)c1",
   "targets": [
    "UNP:Q8WWQ0"
   ]
  },
  {
   "line": 2000,
   "comp_id": "359",
   "ikey_connectivity": "UDNWHSWDIIAZDA",
   "smiles": "CCS(=O)(=O)NC(Cc1c[nH]c2ccc(OCc3cccc(C(=O)O)c3)cc12)C(=O)NC(CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1",
   "targets": [
    "UNP:P08709",
    "UNP:P13726"
   ]
  },
  {
   "line": 15039,
   "comp_id": "GIP",
   "ikey_connectivity": "SCHAHXXLASZJCD",
   "smiles": "NC(CCC(=O)NC(CSC(O)N(O)c1ccc(I)cc1)C(=O)NCC(=O)O)C(=O)O",
   "targets": [
    "UNP:Q04760"
   ]
  },
  {
   "line": 18049,
   "comp_id": "KX5",
   "ikey_connectivity": "WJCVJAAKDIWERJ",
   "smiles": "O=C(O)CCn1cc(C(=O)NCCc2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n1",
   "targets": [
    "UNP:Q15562"
   ]
  },
  {
   "line": 20402,
   "comp_id": "OOZ",
   "ikey_connectivity": "GORPFHTVXJBJQH",
   "smiles": "CCC1C=C(C)CC(C)CC(O)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC",
   "targets": [
    "UNP:P62942"
   ]
  },
  {
   "line": 1621,
   "comp_id": "2JW",
   "ikey_connectivity": "BODNGCHFOUEZME",
   "smiles": "Cc1cn(C2CC3OC(c4ccc([N+](=O)[O-])cc4)(P(=O)(O)O)OCC3O2)c(=O)[nH]c1=O",
   "targets": [
    "UNP:Q9NPB1"
   ]
  },
  {
   "line": 399,
   "comp_id": "0OS",
   "ikey_connectivity": "AOMAGJKZRYWVSR",
   "smiles": "COc1ccc(CCC(OC(=O)C2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccc(OCC(=O)O)c2)cc1OC",
   "targets": [
    "UNP:Q13451"
   ]
  },
  {
   "line": 2917,
   "comp_id": "4L2",
   "ikey_connectivity": "TVJZEYRKRPKMHK",
   "smiles": "Cc1cc(=O)n(C)c2cc(N3CCCCC3=O)ccc12",
   "targets": [
    "UNP:Q9H8M2"
   ]
  },
  {
   "line": 7564,
   "comp_id": "A1AZI",
   "ikey_connectivity": "UQCBSRDSMCVZQE",
   "smiles": "C=C1CCN2C(=O)COc3cccc(c3)C(CCc3ccc(OC)c(OC)c3)OC(=O)C3CCCCN3C(=O)C(=O)C(C)(C)COC(=O)C(C)NC(=O)C2C1",
   "targets": [
    "UNP:P62942"
   ]
  },
  {
   "line": 8418,
   "comp_id": "A1CBC",
   "ikey_connectivity": "JGEAPQXGVPIXAY",
   "smiles": "CC(C)OC(=O)CCn1cnc(-c2cccc(Cl)c2)n1",
   "targets": [
    "UNP:O14980",
    "UNP:Q15369",
    "UNP:Q15370",
    "UNP:Q9H765"
   ]
  },
  {
   "line": 3746,
   "comp_id": "5RL",
   "ikey_connectivity": "VMWNQDUVQKEIOC",
   "smiles": "CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3",
   "targets": [
    "UNP:P02638"
   ]
  },
  {
   "line": 8421,
   "comp_id": "A1CBF",
   "ikey_connectivity": "XPRRXLBYANVKMG",
   "smiles": "Cc1cc2c(NCc3ccccc3)cc(-n3c(C)cc4c(C(N)=O)cccc43)nc2n1CC(=O)N1CCOCC1",
   "targets": [
    "UNP:P55072"
   ]
  },
  {
   "line": 952,
   "comp_id": "1JF",
   "ikey_connectivity": "DBDDOCJSWVIZAN",
   "smiles": "O=C(O)c1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl",
   "targets": [
    "UNP:O92972"
   ]
  },
  {
   "line": 22727,
   "comp_id": "S3I",
   "ikey_connectivity": "FIJPVTLSUVVZPW",
   "smiles": "CC(=O)c1ccc(OC(C)(C)C(=O)Nc2cccc(-c3csc(C(=N)N)c3)c2)cc1",
   "targets": [
    "UNP:P03372",
    "UNP:P31947"
   ]
  },
  {
   "line": 2660,
   "comp_id": "45Q",
   "ikey_connectivity": "BUBLMWQDUODHGD",
   "smiles": "Cc1cc(-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)ccc1N",
   "targets": [
    "UNP:Q9UM73"
   ]
  },
  {
   "line": 27265,
   "comp_id": "YUT",
   "ikey_connectivity": "WXRZISRVPNTHSS",
   "smiles": "O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)C(F)(F)P(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O",
   "targets": [
    "UNP:O43314",
    "UNP:O95989"
   ]
  },
  {
   "line": 9967,
   "comp_id": "A1IQA",
   "ikey_connectivity": "SPDOCHVXMWIAEJ",
   "smiles": "N#Cc1ccc2c(c1)c(-c1ccc(C(=O)O)cc1OCc1ccccc1)nn2C(=O)c1c(Cl)cccc1C(F)(F)F",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 19913,
   "comp_id": "NYZ",
   "ikey_connectivity": "ZFKXMQLZXNYUBT",
   "smiles": "Nc1nc(=O)[nH]c2c1ncn2C1OC(COP(=O)(O)CP(=O)(O)O)C(O)C1O",
   "targets": [
    "UNP:P21589"
   ]
  },
  {
   "line": 1300,
   "comp_id": "21U",
   "ikey_connectivity": "FHVBVJXZKNCSLP",
   "smiles": "CC(C)CC(N)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1",
   "targets": [
    "UNP:P00734",
    "UNP:P01050"
   ]
  },
  {
   "line": 11963,
   "comp_id": "BVM",
   "ikey_connectivity": "ZDVKEWAKPHMOKV",
   "smiles": "CCOC(=O)C1CCCN(C(=O)c2cccc3c2CCN(C(=O)C=Cc2cc(Cl)ccc2-n2cnnn2)C3C(=O)Nc2ccc(C(=O)O)cc2)C1",
   "targets": [
    "UNP:P03951"
   ]
  },
  {
   "line": 21041,
   "comp_id": "PNG",
   "ikey_connectivity": "IFBHRQDFSNCLOZ",
   "smiles": "O=[N+]([O-])c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1",
   "targets": [
    "UNP:I0AIT9",
    "UNP:Q65MI2",
    "UNP:Q9H227"
   ]
  },
  {
   "line": 6523,
   "comp_id": "9JG",
   "ikey_connectivity": "BRRCVBAIWLLLPK",
   "smiles": "C#CCOC(=O)NCc1ccc(-c2ccncc2)c2cc(NC(=O)NCC)ncc12",
   "targets": [
    "UNP:P0AES7"
   ]
  },
  {
   "line": 14812,
   "comp_id": "G7H",
   "ikey_connectivity": "OKMNIGWEMMUEAF",
   "smiles": "CC(=O)c1nc(NC(=O)C2CNCCN2)sc1-c1ccc(N2CCCC2=O)cc1",
   "targets": [
    "UNP:Q6PL18"
   ]
  },
  {
   "line": 10332,
   "comp_id": "A1JI1",
   "ikey_connectivity": "MEHAKNNFHLEJIF",
   "smiles": "COc1ccc(Cn2nnc3c4ccc(F)cc4c(=O)[nH]c32)cc1",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 1973,
   "comp_id": "33P",
   "ikey_connectivity": "JMZWWHLIKAYMPJ",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(CNCC(C)OP(=O)(O)O)c1O",
   "targets": [
    "UNP:A0A499W357",
    "UNP:P97084"
   ]
  },
  {
   "line": 21833,
   "comp_id": "QTJ",
   "ikey_connectivity": "XBWNRHYUEDLQBP",
   "smiles": "NS(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)cc1",
   "targets": [
    "UNP:P01112",
    "UNP:Q07889"
   ]
  },
  {
   "line": 7577,
   "comp_id": "A1B0E",
   "ikey_connectivity": "ZCLCMLMHEMDXAK",
   "smiles": "NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cccc(Cl)c1)c1ccncc12",
   "targets": [
    "UNP:P68400"
   ]
  },
  {
   "line": 21856,
   "comp_id": "QUU",
   "ikey_connectivity": "QPABVIZUHZJQCR",
   "smiles": "Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C",
   "targets": [
    "UNP:P29317"
   ]
  },
  {
   "line": 17937,
   "comp_id": "KRY",
   "ikey_connectivity": "GEYINGHKGSVZTE",
   "smiles": "NS(=O)(=O)c1ccc(-n2ccn(-c3ccc(F)cc3F)c2=O)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 16754,
   "comp_id": "J47",
   "ikey_connectivity": "FSWFNCWMADYOIM",
   "smiles": "N#Cc1cc(Br)ccc1Oc1ccc(Cl)cc1O",
   "targets": [
    "UNP:A0A0J9X1Y0",
    "UNP:P0AEK4"
   ]
  },
  {
   "line": 15879,
   "comp_id": "HVD",
   "ikey_connectivity": "YWEZXUNAYVCODW",
   "smiles": "C=C(C)C1CCC(C)=CC1c1c(O)cc(O)cc1CCCCC",
   "targets": [
    "UNP:P09455",
    "UNP:P82980",
    "UNP:Q96R05"
   ]
  },
  {
   "line": 8129,
   "comp_id": "A1BRK",
   "ikey_connectivity": "YLPGSMZMXYJENJ",
   "smiles": "NC(=O)C1CCCN(C(=O)Cc2cnccc2C(F)(F)F)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 16208,
   "comp_id": "ID4",
   "ikey_connectivity": "AKKBBWYMCAYCPJ",
   "smiles": "NS(=O)(=O)c1c(F)c(F)c(-n2cc(CC3CCCCC3)nn2)c(F)c1F",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 23852,
   "comp_id": "TZX",
   "ikey_connectivity": "QFFKJPJEWNRMHC",
   "smiles": "COc1cc(-c2cncc3c2CCOc2cc(N4CCNCC4)ccc2-3)cc(OC)c1OC",
   "targets": [
    "UNP:Q04771"
   ]
  },
  {
   "line": 25564,
   "comp_id": "WMK",
   "ikey_connectivity": "STNXQECXKDMLJK",
   "smiles": "NC1=NC2OC3C4(O)OC5C(O)C3(N1)C2C(O4)C5(O)CO",
   "targets": [
    "UNP:O60939",
    "UNP:Q07699",
    "UNP:Q9UQD0"
   ]
  },
  {
   "line": 12449,
   "comp_id": "CNA",
   "ikey_connectivity": "DGPLSUKWXXSBCU",
   "smiles": "NC(=O)c1ccc[n+](C2CC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1",
   "targets": [
    "UNP:A0A0B0SG80",
    "UNP:A0A794RBZ4",
    "UNP:P02309",
    "UNP:P26446",
    "UNP:P53686",
    "UNP:Q8IXJ6",
    "UNP:Q8N5Y8",
    "UNP:Q9NTG7",
    "UNP:Q9NXA8"
   ]
  },
  {
   "line": 24908,
   "comp_id": "VJA",
   "ikey_connectivity": "GLZAWCKOCLSXEU",
   "smiles": "CC(C)CC(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(CO)CC1CCNC1=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 22227,
   "comp_id": "RCU",
   "ikey_connectivity": "RYLCYWNNCGQOCH",
   "smiles": "CCOC(=O)CCC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F",
   "targets": [
    "UNP:Q6P988"
   ]
  },
  {
   "line": 24177,
   "comp_id": "UGU",
   "ikey_connectivity": "PXGPLTODNUVGFL",
   "smiles": "CCCCCC(O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O",
   "targets": [
    "UNP:P43088",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:Q00910"
   ]
  },
  {
   "line": 7661,
   "comp_id": "A1B3G",
   "ikey_connectivity": "VWQRAZBSLICPHQ",
   "smiles": "CSc1ccccc1CC(=O)N1CCCC(F)(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 19146,
   "comp_id": "MPU",
   "ikey_connectivity": "BMQYVXCPAOLZOK",
   "smiles": "Nc1nc2ncc(C(O)C(O)CO)nc2c(=O)[nH]1",
   "targets": [
    "UNP:P56740"
   ]
  },
  {
   "line": 21108,
   "comp_id": "PS8",
   "ikey_connectivity": "HOIAFTVGAXSASA",
   "smiles": "Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccc(N3CCNCC3)nc2)cc1Cl",
   "targets": [
    "UNP:Q4Q5S8"
   ]
  },
  {
   "line": 13206,
   "comp_id": "DWJ",
   "ikey_connectivity": "NFNOOTFITPQOPV",
   "smiles": "CC1C(=O)C(C#N)CC2(c3ccccc3)c3nn(C(=O)c4ccccc4)cc3CCC12",
   "targets": [
    "UNP:O75874"
   ]
  },
  {
   "line": 17510,
   "comp_id": "K5D",
   "ikey_connectivity": "ZHUQGQJYDVDPGM",
   "smiles": "O=C(COc1cccc(Br)c1)NC1CC2CC2C1O",
   "targets": [
    "UNP:P25084"
   ]
  },
  {
   "line": 8144,
   "comp_id": "A1BS2",
   "ikey_connectivity": "APDQHJBCMAYJOC",
   "smiles": "COc1ccccc1CC(=O)N1CC(C(N)=O)CC12CC2",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 15199,
   "comp_id": "GRC",
   "ikey_connectivity": "GBPRSSRXOIDBNV",
   "smiles": "Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)OP(=O)(O)C(Cl)P(=O)(O)O)O2)c(=O)[nH]1",
   "targets": [
    "UNP:P06746"
   ]
  },
  {
   "line": 16712,
   "comp_id": "J27",
   "ikey_connectivity": "NTGIJTSMASUCKW",
   "smiles": "Cc1cc(F)ccc1-c1ccc(C[NH3+])cc1Cl",
   "targets": [
    "UNP:P68400"
   ]
  },
  {
   "line": 4943,
   "comp_id": "7EM",
   "ikey_connectivity": "PDYDEVVHZXJAQO",
   "smiles": "Oc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)s2)cc1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 16175,
   "comp_id": "IAT",
   "ikey_connectivity": "HPSZQTYGEXTGDY",
   "smiles": "O=S(=O)(Oc1ccc(-n2cncn2)cc1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15788"
   ]
  },
  {
   "line": 289,
   "comp_id": "0JK",
   "ikey_connectivity": "ZSFSLLGRLMODAE",
   "smiles": "O=C1c2c(nnn2Cc2ccc3ncccc3c2)CCN1c1ccccc1",
   "targets": [
    "UNP:P08581"
   ]
  },
  {
   "line": 7223,
   "comp_id": "A1AGE",
   "ikey_connectivity": "AUDFKQBBLRSAHE",
   "smiles": "CC(C)CC(NC(=O)OCC1CCC(=O)N1Cc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 21062,
   "comp_id": "POW",
   "ikey_connectivity": "YUGZHQHSNYIFLG",
   "smiles": "O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1",
   "targets": [
    "UNP:Q9H7B4"
   ]
  },
  {
   "line": 4008,
   "comp_id": "646",
   "ikey_connectivity": "XMBSZPZJLPTFMV",
   "smiles": "Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CCNCC3)c2)cc1Cl",
   "targets": [
    "UNP:A0A1G4HIY1",
    "UNP:A5K1A2",
    "UNP:P30419",
    "UNP:Q4Q5S8",
    "UNP:Q9UVX3"
   ]
  },
  {
   "line": 27090,
   "comp_id": "YN0",
   "ikey_connectivity": "XCKDYTZQUKRVJL",
   "smiles": "Cc1noc(C)c1-c1ccc2c(c1)nc(C1CCCC(=O)N1c1cccc(C(C)(C)C)c1)n2C1CCC(NC(=O)OC(C)(C)C)CC1",
   "targets": [
    "UNP:Q92793"
   ]
  },
  {
   "line": 4601,
   "comp_id": "6YH",
   "ikey_connectivity": "OIERKPBIGGJOPY",
   "smiles": "NS(=O)(=O)c1ccc(C(=O)Cn2cnc3ccccc32)cc1",
   "targets": [
    "UNP:O43570",
    "UNP:P00918"
   ]
  },
  {
   "line": 27522,
   "comp_id": "ZJF",
   "ikey_connectivity": "AQKIQKNFSLFVDF",
   "smiles": "O=C(NC1CCCC1)c1cn(-c2cccc(O)c2)cn1",
   "targets": [
    "UNP:Q03111"
   ]
  },
  {
   "line": 27038,
   "comp_id": "YLA",
   "ikey_connectivity": "BXXVGWFYYCXKTG",
   "smiles": "C#CCOC(=O)NCCCCC(N)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q8PWY1"
   ]
  },
  {
   "line": 5350,
   "comp_id": "7XB",
   "ikey_connectivity": "JHDIUUFGPILEJO",
   "smiles": "CNC(=O)Cn1c(=O)nc(Nc2ccc(OC(F)F)cc2C)n(Cc2cc(F)c(F)c(F)c2)c1=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 17840,
   "comp_id": "KMB",
   "ikey_connectivity": "CBFXRTSHUMEYKQ",
   "smiles": "NCc1cc(CSc2ccccc2)c2nc(N)[nH]c(=O)c2c1",
   "targets": [
    "UNP:P28720"
   ]
  },
  {
   "line": 25939,
   "comp_id": "X5N",
   "ikey_connectivity": "SQOLXUGRJNPDOA",
   "smiles": "O=C1COc2ccc(-c3cnc4ccccn34)nc2N1C1CCNCC1",
   "targets": [
    "UNP:P27448"
   ]
  },
  {
   "line": 4781,
   "comp_id": "777",
   "ikey_connectivity": "BTIPXEHUJHIGFX",
   "smiles": "CCNP(=O)(O)OCC1OC(n2cnc3c(=O)nc(N)[nH]c32)C(O)C1O",
   "targets": [
    "UNP:P49773"
   ]
  },
  {
   "line": 8663,
   "comp_id": "A1CQP",
   "ikey_connectivity": "MOXROVYUYLMHQQ",
   "smiles": "Cc1nn(CC2CCCCC2)c2ncc(C(=O)NCCC(=O)N3CCCC3)c(Cl)c12",
   "targets": [
    "UNP:P48147"
   ]
  },
  {
   "line": 14425,
   "comp_id": "FNG",
   "ikey_connectivity": "BYSXBFJVGIOFBO",
   "smiles": "NC(=O)c1cc(OC2OC(CO)C(O)C(O)C2O)cc([N+](=O)[O-])c1",
   "targets": [
    "UNP:Q57193"
   ]
  },
  {
   "line": 10516,
   "comp_id": "A1JVS",
   "ikey_connectivity": "DKVDXTMNSVWASI",
   "smiles": "COCCOc1cc2ncnc(N3CCN(c4ncc(C(C)(N)c5ccc(F)cc5)cn4)CC3)c2cc1OCCOC",
   "targets": [
    "UNP:P16234"
   ]
  },
  {
   "line": 1269,
   "comp_id": "20G",
   "ikey_connectivity": "ZPXCEHMKUTXHRZ",
   "smiles": "O=C(CCCS)NC1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 21152,
   "comp_id": "PV1",
   "ikey_connectivity": "OTKZPCDLOLLPPV",
   "smiles": "O=C(c1cc(Br)c(O)cc1O)N1Cc2ccccc2C1",
   "targets": [
    "UNP:Q15119"
   ]
  },
  {
   "line": 26529,
   "comp_id": "Y02",
   "ikey_connectivity": "UMRMEUOEFMNZRM",
   "smiles": "COC(C(=O)NCCOc1c(C)cc(C)cc1C)C(O)C(O)C(O)C=CC(C)(C)C",
   "targets": [
    "UNP:P9WK19"
   ]
  },
  {
   "line": 17126,
   "comp_id": "JMU",
   "ikey_connectivity": "AUIFPDZDQMKKNE",
   "smiles": "Cn1cc(C(=O)N2CCOCC2)c(C(=O)Nc2cc3nc(-c4ccccc4)cn3cc2C#N)n1",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 24027,
   "comp_id": "U96",
   "ikey_connectivity": "FXFWSZOXZYQPQZ",
   "smiles": "Cc1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3n[nH]c(C4CC4)c32)cn1",
   "targets": [
    "UNP:P31153"
   ]
  },
  {
   "line": 7593,
   "comp_id": "A1B17",
   "ikey_connectivity": "VXTCJEPNAMERNR",
   "smiles": "NC(=O)C1CCCN(C(=O)C2SCc3cccnc32)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 2399,
   "comp_id": "3SX",
   "ikey_connectivity": "CYRKYCCPWKLCDV",
   "smiles": "CC(=O)N1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)CC1",
   "targets": [
    "UNP:P51449"
   ]
  },
  {
   "line": 19133,
   "comp_id": "MO9",
   "ikey_connectivity": "YKWHKILAGONYKL",
   "smiles": "N#CCNC(=O)C(CS(=O)(=O)Cc1ccccc1OC(F)F)OC(=O)N1CCOCC1",
   "targets": [
    "UNP:P25774"
   ]
  },
  {
   "line": 23767,
   "comp_id": "TUQ",
   "ikey_connectivity": "AYWNZLSZEHOECC",
   "smiles": "Cc1nn(C)c(C)c1Cc1nnc(-c2cc(Cl)ccc2OC2CCNCC2)o1",
   "targets": [
    "UNP:Q4Q5S8"
   ]
  },
  {
   "line": 3390,
   "comp_id": "59X",
   "ikey_connectivity": "UOPVCDBELHDBLY",
   "smiles": "CC1(C)CN=C(N2CCN(c3ncnc4sc(CCF)cc34)CC2)S1",
   "targets": [
    "UNP:O00255"
   ]
  },
  {
   "line": 11924,
   "comp_id": "BSD",
   "ikey_connectivity": "HIQWWDCRULXYDF",
   "smiles": "COc1cccc(CNCC(O)C(Cc2ccccc2)NC(=O)c2cc(C(=O)NC(C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)c1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 2591,
   "comp_id": "42O",
   "ikey_connectivity": "BMDMKWJIRFLEEY",
   "smiles": "O=C(O)C1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21",
   "targets": [
    "UNP:P22262"
   ]
  },
  {
   "line": 23140,
   "comp_id": "SQW",
   "ikey_connectivity": "VNSAQZLLFVPFAT",
   "smiles": "CC(C)OC(=O)CCC(=O)n1ccc2ccccc21",
   "targets": [
    "UNP:Q6P988"
   ]
  },
  {
   "line": 21709,
   "comp_id": "QNP",
   "ikey_connectivity": "GDXQVZUHVZYLSC",
   "smiles": "CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COP(=O)(O)O",
   "targets": [
    "UNP:Q39128"
   ]
  },
  {
   "line": 26686,
   "comp_id": "Y6N",
   "ikey_connectivity": "WLSMQRKHZPITKA",
   "smiles": "Cc1nc2cc(OCc3n[nH]c(=O)n3C)c(C3CC3)cc2s1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 8550,
   "comp_id": "A1CJT",
   "ikey_connectivity": "HNUSOTYOPVBELS",
   "smiles": "Cc1cc(Br)ccc1C(CC(=O)O)NC(=O)c1ncnc2[nH]ccc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 19945,
   "comp_id": "O0Z",
   "ikey_connectivity": "GZBQVFPQSQFJCG",
   "smiles": "CCCCNC(Cc1c[nH]c2ccccc12)C(=O)NCCC1CCCN(Cc2ccccc2)CC1",
   "targets": [
    "UNP:P06276"
   ]
  },
  {
   "line": 26345,
   "comp_id": "XQ9",
   "ikey_connectivity": "DBPGHZGPUBWOQS",
   "smiles": "CS(=O)(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1",
   "targets": [
    "UNP:P34913"
   ]
  },
  {
   "line": 18261,
   "comp_id": "L7V",
   "ikey_connectivity": "SHUFUJKRBBPZHJ",
   "smiles": "O=C(Cc1cccnc1)N1CCCC1c1noc(C2CC2)n1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 2304,
   "comp_id": "3N7",
   "ikey_connectivity": "IUWCYHHHQACRIT",
   "smiles": "Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3[nH]ncc3c2)n1",
   "targets": [
    "UNP:O60894",
    "UNP:Q16602"
   ]
  },
  {
   "line": 15883,
   "comp_id": "HVM",
   "ikey_connectivity": "JLAJCUOAEWKJJS",
   "smiles": "Nc1cccc(C(=O)N2CCC(CCCCNC(=O)C=Cc3cccnc3)CC2)c1",
   "targets": [
    "UNP:P43490"
   ]
  },
  {
   "line": 4528,
   "comp_id": "6UJ",
   "ikey_connectivity": "QTGKTWMSCVUXHK",
   "smiles": "Cc1ncc(NC(=O)Nc2cccc3ccccc23)c(-c2ccccc2)n1",
   "targets": [
    "UNP:P04629"
   ]
  },
  {
   "line": 9288,
   "comp_id": "A1EUN",
   "ikey_connectivity": "JDTIPDAGINDDME",
   "smiles": "COc1ccc(Cn2cc(-c3ccc4c(C5CCC(=O)NC5=O)coc4c3)cn2)cc1",
   "targets": [
    "UNP:Q15717",
    "UNP:Q16531",
    "UNP:Q96SW2"
   ]
  },
  {
   "line": 9165,
   "comp_id": "A1EMU",
   "ikey_connectivity": "JGXIXBKKDUNARN",
   "smiles": "COc1ccc(N2CCN(Cc3cn4c(-c5ccc(Br)cc5)nnc4s3)CC2)cc1",
   "targets": [
    "UNP:Q9BRQ8"
   ]
  },
  {
   "line": 626,
   "comp_id": "12E",
   "ikey_connectivity": "KHZWKRXKMLEULJ",
   "smiles": "OCC1OC(NC(=S)NN=Cc2ccncc2)C(O)C(O)C1O",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 21040,
   "comp_id": "PNF",
   "ikey_connectivity": "WYHHVZLGTMCKOR",
   "smiles": "O=C(O)CCCCCNC(=O)CCCP(=O)(O)Oc1ccc([N+](=O)[O-])cc1",
   "targets": [
    "UNP:P01863",
    "UNP:Q58EU8"
   ]
  },
  {
   "line": 22655,
   "comp_id": "S00",
   "ikey_connectivity": "DJNNZKJZFCRFRX",
   "smiles": "N=C(N)c1ccc(CNC(=O)C2CCCN2C(=O)C(CC2CCCCC2)NS(=O)(=O)Cc2ccccc2)cc1",
   "targets": [
    "UNP:P00734",
    "UNP:P09945"
   ]
  },
  {
   "line": 9548,
   "comp_id": "A1I1S",
   "ikey_connectivity": "VQBHQKNPDJBYMG",
   "smiles": "O=C(O)c1csc(-c2ccc3c(c2)C(=NNc2nc4ccccc4s2)CCC3)n1",
   "targets": [
    "UNP:P10415",
    "UNP:Q07817"
   ]
  },
  {
   "line": 27567,
   "comp_id": "ZLH",
   "ikey_connectivity": "ICUJAPAHFNAKBW",
   "smiles": "CC1CN(C(=O)c2ccco2)CCN1C(=O)NCC1CC1",
   "targets": [
    "UNP:Q8WWQ0"
   ]
  },
  {
   "line": 27544,
   "comp_id": "ZKJ",
   "ikey_connectivity": "RTCPQVJDZHADDP",
   "smiles": "COc1ccc2nc(C)c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6(C)CC6)CC5C=CCCCCCC(NC(=O)OC(C)C(F)(F)F)C(=O)N4C3)nc2c1",
   "targets": [
    "UNP:P26664"
   ]
  },
  {
   "line": 19454,
   "comp_id": "N6V",
   "ikey_connectivity": "ORYDIOADGVZPNI",
   "smiles": "CCN(CC)CCn1ccc2cc(NC(=O)Nc3cc(C)on3)ccc21",
   "targets": [
    "UNP:O60229",
    "UNP:P63000"
   ]
  },
  {
   "line": 22431,
   "comp_id": "RNK",
   "ikey_connectivity": "UTXFLBKLCRBXBW",
   "smiles": "Cc1ccsc1CNc1cnn(C)c(=O)c1Cl",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 14948,
   "comp_id": "GDY",
   "ikey_connectivity": "NTKWOUHXDKSPIX",
   "smiles": "O=C1NC(=O)C(=Cc2ccc(OCCc3cccs3)cc2)S1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 1908,
   "comp_id": "30N",
   "ikey_connectivity": "HHNOQZRCHLIIMA",
   "smiles": "CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS(=O)O",
   "targets": [
    "UNP:Q7ATH7"
   ]
  },
  {
   "line": 13521,
   "comp_id": "EB7",
   "ikey_connectivity": "JRNIXDMQFKHQLE",
   "smiles": "CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(F)cc4Cl)ccc1c23",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 1571,
   "comp_id": "2GN",
   "ikey_connectivity": "KXJHJZRFLLSTJD",
   "smiles": "N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1CCN(Cc1ccc(-c3nn[nH]n3)cc1)C2",
   "targets": [
    "UNP:Q8DNV6"
   ]
  },
  {
   "line": 26926,
   "comp_id": "YH3",
   "ikey_connectivity": "KDLSQBTYPBZMRM",
   "smiles": "Cc1cccc(C(=O)CSc2nc3c(=O)[nH]c(N)nc3[nH]2)c1",
   "targets": [
    "UNP:P26281"
   ]
  },
  {
   "line": 24966,
   "comp_id": "VMA",
   "ikey_connectivity": "DFGGDGDTSVXBMC",
   "smiles": "CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccccn1",
   "targets": [
    "UNP:P00352"
   ]
  },
  {
   "line": 1336,
   "comp_id": "23G",
   "ikey_connectivity": "ZBMMALUAVDLKSL",
   "smiles": "Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C3OP(=O)(O)OC32)c(=O)[nH]1",
   "targets": [
    "UNP:B3Y653"
   ]
  },
  {
   "line": 11374,
   "comp_id": "AX9",
   "ikey_connectivity": "MZFCOERRVCGRTL",
   "smiles": "CCC1=C(C)C(=O)NC1=Cc1[nH]c(C=C2N=C(CC3NC(=O)C(CC)=C3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C",
   "targets": [
    "UNP:A0A067XP68",
    "UNP:A0A067XP72",
    "UNP:A0A067XP78",
    "UNP:A0A067XP79",
    "UNP:A0A067XP89",
    "UNP:A0A7S0U215",
    "UNP:U5T8W0",
    "UNP:U5TBJ3",
    "UNP:U5TBU5"
   ]
  },
  {
   "line": 12609,
   "comp_id": "CXN",
   "ikey_connectivity": "LQOLIRLGBULYKD",
   "smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O",
   "targets": [
    "UNP:Q63424"
   ]
  },
  {
   "line": 19586,
   "comp_id": "NEC",
   "ikey_connectivity": "JADDQZYHOWSFJD",
   "smiles": "CCNC(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:A0A0B4J1H6",
    "UNP:P07900",
    "UNP:P0ABE7",
    "UNP:P29275",
    "UNP:P35342",
    "UNP:P41148",
    "UNP:P54311",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63092",
    "UNP:P63096"
   ]
  },
  {
   "line": 9285,
   "comp_id": "A1EUI",
   "ikey_connectivity": "ULSUXBXHSYSGDT",
   "smiles": "COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1",
   "targets": [
    "UNP:P59540",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096",
    "UNP:Q9NYV8"
   ]
  },
  {
   "line": 20228,
   "comp_id": "OE2",
   "ikey_connectivity": "LZIKVOPNIDEBQJ",
   "smiles": "NS(=O)(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 11811,
   "comp_id": "BLL",
   "ikey_connectivity": "GQKBYZPVKVXMJL",
   "smiles": "O=C(NC1c2ccccc2CC1O)C(CCc1ccccc1)C(O)C(O)C(CCc1ccccc1)C(=O)NC1c2ccccc2CC1O",
   "targets": [
    "UNP:Q8Q3H0"
   ]
  },
  {
   "line": 8555,
   "comp_id": "A1CJZ",
   "ikey_connectivity": "SYPPYTKGVIISPX",
   "smiles": "Cc1cccc(C(CC(=O)O)NC(=O)c2ncnc3[nH]ccc23)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 7721,
   "comp_id": "A1B5F",
   "ikey_connectivity": "KCUWPJSIVYQWJM",
   "smiles": "CSc1ccccc1CC(=O)N1CC(C)CC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 21137,
   "comp_id": "PUB",
   "ikey_connectivity": "KDCCOOGTVSRCHX",
   "smiles": "CCC1=C(C)C(CC2=NC(=Cc3[nH]c(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O",
   "targets": [
    "UNP:A0A343KNS7",
    "UNP:A0A343KP28",
    "UNP:A0A343KPB8",
    "UNP:A0A5J4YI31",
    "UNP:A0A5J4YJY8",
    "UNP:A0A5J4YKR2",
    "UNP:A0A5J4YLQ6",
    "UNP:A0A5J4YM59",
    "UNP:A0A5J4YMI8",
    "UNP:A0A5J4YN76",
    "UNP:A0A5J4YNU6",
    "UNP:A0A5J4YP51",
    "UNP:A0A5J4YR43",
    "UNP:A0A5J4YSS5",
    "UNP:A0A5J4YTV6",
    "UNP:A0A5J4YUC8",
    "UNP:A0A5J4YVZ2",
    "UNP:A0A5J4YX19",
    "UNP:A0A5J4YX63",
    "UNP:A0A5J4YX67",
    "UNP:A0A5J4YXP2",
    "UNP:A0A5J4YYC4",
    "UNP:A0A5J4YYD7",
    "UNP:A0A5J4YZH3",
    "UNP:A0A5J4YZM7",
    "UNP:A0A5J4Z027",
    "UNP:A0A5J4Z162",
    "UNP:A0A5J4Z270",
    "UNP:A0A5J4Z2M2",
    "UNP:A0A5J4Z323",
    "UNP:A0A5J4Z365",
    "UNP:A0A5J4Z3A3",
    "UNP:A0A5J4Z679",
    "UNP:A0A5J4Z6J3",
    "UNP:A0A5J4Z7F4",
    "UNP:A0A5J4ZA95",
    "UNP:A0A5J4ZAY0",
    "UNP:E2IH77",
    "UNP:F2ZAL7",
    "UNP:F2ZAL8",
    "UNP:O36004",
    "UNP:O36005",
    "UNP:P01848",
    "UNP:P11392",
    "UNP:P11393",
    "UNP:P37207",
    "UNP:P37208",
    "UNP:P51367",
    "UNP:P68939",
    "UNP:P93450",
    "UNP:Q1AH60",
    "UNP:Q1AH74",
    "UNP:Q7NLD6",
    "UNP:Q7NLD7",
    "UNP:Q7SIF9",
    "UNP:Q7SIG0",
    "UNP:W0RYF9",
    "UNP:W0RYG1",
    "UNP:W0RYG9",
    "UNP:W0RYH5",
    "UNP:W0RYI4",
    "UNP:W0RYJ5",
    "UNP:W0RYK4",
    "UNP:W0RYM0",
    "UNP:W0RYQ6",
    "UNP:W0RYU5",
    "UNP:W0RYU6",
    "UNP:W0RYV0",
    "UNP:W0RYZ0",
    "UNP:W0RYZ6",
    "UNP:W0RZ04",
    "UNP:W0RZ08",
    "UNP:W0RZ23",
    "UNP:W0RZ28",
    "UNP:W0RZ31",
    "UNP:W0RZ40",
    "UNP:W0RZ51",
    "UNP:W0RZ71",
    "UNP:W0RZ76",
    "UNP:W0RZ84",
    "UNP:W0RZ90",
    "UNP:W0RZ91",
    "UNP:W0RZB2",
    "UNP:W0RZE2",
    "UNP:W0RZJ2",
    "UNP:W0S1N1",
    "UNP:W0S1U6",
    "UNP:W0S1X0",
    "UNP:W0S1X5",
    "UNP:W0S1Z0",
    "UNP:W0S1Z9",
    "UNP:W0S231",
    "UNP:W0S279"
   ]
  },
  {
   "line": 9071,
   "comp_id": "A1EG0",
   "ikey_connectivity": "VHKIDNUOLGPNSF",
   "smiles": "O=C(O)c1c(Cn2cccn2)ccc2c1OB(O)CO2",
   "targets": [
    "UNP:Q6XEC0"
   ]
  },
  {
   "line": 11881,
   "comp_id": "BQ0",
   "ikey_connectivity": "XLDSWHQAEWXEHF",
   "smiles": "Cc1ccc(-n2nc(C(=O)N3CCN(C)CC3)nc2-c2ccc3c(c2)N(C2CCCC2)C(C)C(=O)N3C)c(C)c1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 14951,
   "comp_id": "GE8",
   "ikey_connectivity": "NOEIHAKSVWIMBY",
   "smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCS",
   "targets": [
    "UNP:P03372",
    "UNP:P31947"
   ]
  },
  {
   "line": 11493,
   "comp_id": "B43",
   "ikey_connectivity": "FMETVQKSDIOGPX",
   "smiles": "Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCC1",
   "targets": [
    "UNP:Q06187"
   ]
  },
  {
   "line": 2581,
   "comp_id": "424",
   "ikey_connectivity": "JSCXGRUVBVSETN",
   "smiles": "N=CC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1",
   "targets": [
    "UNP:P07711"
   ]
  },
  {
   "line": 27390,
   "comp_id": "Z76",
   "ikey_connectivity": "CQQMWBPWYUPVOC",
   "smiles": "COCC1CCCN1C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CN(S(=O)(=O)c3cccc(C)c3)CCN2)c1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 16988,
   "comp_id": "JFO",
   "ikey_connectivity": "VZYHJJOJTOWJSO",
   "smiles": "COc1ccc2nc(N)c3c(C)nc(-c4ccccc4Cl)n3c2n1",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 1903,
   "comp_id": "30H",
   "ikey_connectivity": "OFKSJKLKSOBXCJ",
   "smiles": "Cc1cc(S(=O)(=O)N(Cc2cccnc2)C(C)C(=O)NO)ccc1F",
   "targets": [
    "UNP:P15917"
   ]
  },
  {
   "line": 23288,
   "comp_id": "T11",
   "ikey_connectivity": "XCRAOXMHVJUSSJ",
   "smiles": "NC(Cc1ccc(C2(C(F)(F)F)NN2)cc1)C(=O)O",
   "targets": [
    "UNP:Q57834"
   ]
  },
  {
   "line": 6099,
   "comp_id": "8ZB",
   "ikey_connectivity": "BKDAOQOLDUJANJ",
   "smiles": "CCCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:P11940",
    "UNP:P80077",
    "UNP:P80078",
    "UNP:Q9WVG6"
   ]
  },
  {
   "line": 19099,
   "comp_id": "ML0",
   "ikey_connectivity": "JZWUKILTKYJLCN",
   "smiles": "Nc1nc(OC(c2ccc(-c3cccc(F)c3)cc2)C(F)(F)F)cc(-c2ccc(CC(N)C(=O)O)cc2)n1",
   "targets": [
    "UNP:P17752"
   ]
  },
  {
   "line": 23800,
   "comp_id": "TWI",
   "ikey_connectivity": "MCRHRRIGPAVFNY",
   "smiles": "Cn1c(=O)c2c(c3cc(Nc4ccnc(F)c4Cl)ccc31)NC(C1CC1)C(F)(F)CO2",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 17243,
   "comp_id": "JS7",
   "ikey_connectivity": "ZIQFGPRCONAHFK",
   "smiles": "COc1ncnc(NCCc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-]",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 21460,
   "comp_id": "QBX",
   "ikey_connectivity": "KJHPPRXFYCSKDF",
   "smiles": "O=C(O)CSC1Cc2cc(Cl)ccc2Sc2ccccc21",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 13256,
   "comp_id": "DZ7",
   "ikey_connectivity": "LPMOTUSFDTTWJL",
   "smiles": "COc1cc2c(cc1OC)C(=O)C(=CC1CCN(Cc3ccccc3)CC1)C2",
   "targets": [
    "UNP:P04058"
   ]
  },
  {
   "line": 7752,
   "comp_id": "A1B75",
   "ikey_connectivity": "CSTVAFKVKHIYGO",
   "smiles": "COc1ccc(CC2NCC(O)C2OC(=O)NCCC2CCCN2)cc1",
   "targets": [
    "UNP:P08708",
    "UNP:P08865",
    "UNP:P15880",
    "UNP:P18077",
    "UNP:P18124",
    "UNP:P18621",
    "UNP:P23396",
    "UNP:P25398",
    "UNP:P26373",
    "UNP:P27635",
    "UNP:P32969",
    "UNP:P35268",
    "UNP:P36578",
    "UNP:P39019",
    "UNP:P39023",
    "UNP:P40429",
    "UNP:P42677",
    "UNP:P42766",
    "UNP:P46776",
    "UNP:P46777",
    "UNP:P46778",
    "UNP:P46779",
    "UNP:P46781",
    "UNP:P46782",
    "UNP:P46783",
    "UNP:P47914",
    "UNP:P49207",
    "UNP:P50914",
    "UNP:P60866",
    "UNP:P61247",
    "UNP:P61254",
    "UNP:P61313",
    "UNP:P61353",
    "UNP:P61513",
    "UNP:P61927",
    "UNP:P62081",
    "UNP:P62241",
    "UNP:P62244",
    "UNP:P62249",
    "UNP:P62263",
    "UNP:P62266",
    "UNP:P62269",
    "UNP:P62273",
    "UNP:P62277",
    "UNP:P62280",
    "UNP:P62424",
    "UNP:P62701",
    "UNP:P62750",
    "UNP:P62753",
    "UNP:P62829",
    "UNP:P62841",
    "UNP:P62847",
    "UNP:P62851",
    "UNP:P62854",
    "UNP:P62857",
    "UNP:P62861",
    "UNP:P62888",
    "UNP:P62891",
    "UNP:P62899",
    "UNP:P62910",
    "UNP:P62913",
    "UNP:P62917",
    "UNP:P62945",
    "UNP:P62979",
    "UNP:P62987",
    "UNP:P63173",
    "UNP:P63220",
    "UNP:P63244",
    "UNP:P83731",
    "UNP:P83881",
    "UNP:P84098",
    "UNP:Q02543",
    "UNP:Q02878",
    "UNP:Q07020",
    "UNP:Q9Y3U8"
   ]
  },
  {
   "line": 15108,
   "comp_id": "GMC",
   "ikey_connectivity": "RYSMHWILUNYBFW",
   "smiles": "CN(C)c1ncnc2c1ncn2C1OC(CO)C(N)C1O",
   "targets": [
    "UNP:P04825",
    "UNP:Q9UXR8"
   ]
  },
  {
   "line": 14581,
   "comp_id": "FWG",
   "ikey_connectivity": "BNXUOKAWQPMNQC",
   "smiles": "O=C(C1CCCCCC1)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1",
   "targets": [
    "UNP:G7CNL4"
   ]
  },
  {
   "line": 11322,
   "comp_id": "AU5",
   "ikey_connectivity": "YUKWVHPTFRQHMF",
   "smiles": "COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C",
   "targets": [
    "UNP:P33981"
   ]
  },
  {
   "line": 4599,
   "comp_id": "6Y6",
   "ikey_connectivity": "UFINLBROSUXELC",
   "smiles": "COCc1cn(C2C=C(C(=O)O)OC(C(O)C(O)CO)C2NC(=O)C(C)C)nn1",
   "targets": [
    "UNP:G8G134"
   ]
  },
  {
   "line": 2072,
   "comp_id": "390",
   "ikey_connectivity": "WUTVMXLIGHTZJC",
   "smiles": "Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1",
   "targets": [
    "UNP:P28482"
   ]
  },
  {
   "line": 13938,
   "comp_id": "EX1",
   "ikey_connectivity": "MARFRTLFUBVKOT",
   "smiles": "COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C(C)C)c1ccccc1C(=O)N2C",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 15278,
   "comp_id": "GW5",
   "ikey_connectivity": "HJQQVNIORAQATK",
   "smiles": "CCC(=C(c1ccccc1)c1ccc(C=CC(=O)O)cc1)c1ccccc1",
   "targets": [
    "UNP:P03372"
   ]
  },
  {
   "line": 22991,
   "comp_id": "SI5",
   "ikey_connectivity": "JYDYMWJEZLKIBS",
   "smiles": "Cn1cc(C2CC3CSC(N)=NC3(c3ccc(F)cc3F)CO2)cn1",
   "targets": [
    "UNP:P10635",
    "UNP:P56817"
   ]
  },
  {
   "line": 26626,
   "comp_id": "Y41",
   "ikey_connectivity": "PZEBTCMUWPLVEX",
   "smiles": "Cc1c(N)cccc1C(=O)NC(C)c1cccc2ccccc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 20995,
   "comp_id": "PL8",
   "ikey_connectivity": "DNUFYYJENFLUSM",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(CNc2ccc(CCCO)[nH]c2=O)c1O",
   "targets": [
    "UNP:P9WQ81"
   ]
  },
  {
   "line": 5760,
   "comp_id": "8IG",
   "ikey_connectivity": "SXGFECRAKVVEJT",
   "smiles": "Nc1nc2[nH]c(I)nc2c(=O)[nH]1",
   "targets": [
    "UNP:P81989"
   ]
  },
  {
   "line": 4625,
   "comp_id": "6ZM",
   "ikey_connectivity": "YZUQRESBRMOGBQ",
   "smiles": "CC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 20379,
   "comp_id": "OND",
   "ikey_connectivity": "UQZFCZAYARDQIK",
   "smiles": "NC(=O)c1cc2c(-c3ccc(C(=O)NCc4ccccc4N)s3)cccc2s1",
   "targets": [
    "UNP:Q13523"
   ]
  },
  {
   "line": 4135,
   "comp_id": "6A1",
   "ikey_connectivity": "VTPADFJSUDVABF",
   "smiles": "COc1ccc2c(c1)c(O)c1c3c(ncn32)CCC1NCC[N+](C)(C)O",
   "targets": [
    "UNP:P16083"
   ]
  },
  {
   "line": 23727,
   "comp_id": "TRK",
   "ikey_connectivity": "WORJTWSOUPGODS",
   "smiles": "CC(C=CC(O)=C1C(=O)CNC1=O)=CC(C)C1OC2(C)OC(C(=O)C=C2C)C1C",
   "targets": [
    "UNP:D3Y1I2"
   ]
  },
  {
   "line": 25211,
   "comp_id": "W2T",
   "ikey_connectivity": "IDWBLFLYQVHAFH",
   "smiles": "Cc1[nH]c(C=C2C(=O)Nc3ccc(C(=O)NC(C)c4ccc(F)cc4)cc32)c(C)c1NC(=O)CCl",
   "targets": [
    "UNP:P34947"
   ]
  },
  {
   "line": 17316,
   "comp_id": "JVH",
   "ikey_connectivity": "BOGJVTQQRCPUBE",
   "smiles": "O=C(CN1C(=O)C2C3CCC(C3)C2C1=O)NCc1ccc2c(c1)C1CC(N2)C(O)CO1",
   "targets": [
    "UNP:P30405"
   ]
  },
  {
   "line": 25829,
   "comp_id": "X03",
   "ikey_connectivity": "YAHBQFQHOVVECT",
   "smiles": "CCC(C)(C)C1CCc2[nH]nc(C(=O)NN)c2C1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 16776,
   "comp_id": "J5B",
   "ikey_connectivity": "IQTXPPTUXXJFDH",
   "smiles": "CC(O)CCOC1OC(CO)C(O)C(O)C1O",
   "targets": [
    "UNP:P16098"
   ]
  },
  {
   "line": 25828,
   "comp_id": "X02",
   "ikey_connectivity": "NJWGWVLFRYCKGD",
   "smiles": "C=CCNc1nc(N)c(C(=O)c2ccccc2)s1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 15078,
   "comp_id": "GKF",
   "ikey_connectivity": "QWWAONJINWEHJL",
   "smiles": "O=Cc1cccc2c(I)n[nH]c12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 7797,
   "comp_id": "A1B98",
   "ikey_connectivity": "HAVCTQQBPMHKET",
   "smiles": "NCCC(O)c1ccc(F)c(N=Nc2c(F)cccc2F)c1",
   "targets": [
    "UNP:Q28175"
   ]
  },
  {
   "line": 23217,
   "comp_id": "SWF",
   "ikey_connectivity": "PJVWKTKQMONHTI",
   "smiles": "CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O",
   "targets": [
    "UNP:P02768",
    "UNP:P15559",
    "UNP:Q9BQB6"
   ]
  },
  {
   "line": 21851,
   "comp_id": "QUG",
   "ikey_connectivity": "WYROLENTHWJFLR",
   "smiles": "Nc1nc(=O)c2c(CNC3C=CC(O)C3O)c[nH]c2[nH]1",
   "targets": [
    "UNP:B1C2R2"
   ]
  },
  {
   "line": 10876,
   "comp_id": "A1MDB",
   "ikey_connectivity": "IQLRBEZTUOTUQI",
   "smiles": "NC(=O)c1cccc(CNC2CCCC(C(=O)Nc3nccs3)C2)c1",
   "targets": [
    "UNP:P40261"
   ]
  },
  {
   "line": 15893,
   "comp_id": "HW3",
   "ikey_connectivity": "FKBICARWJMAAKA",
   "smiles": "CCC(Cc1ccc(OC)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)c(F)c2)c1)C(=O)O",
   "targets": [
    "UNP:Q07869"
   ]
  },
  {
   "line": 7206,
   "comp_id": "A1AFD",
   "ikey_connectivity": "HUHIPWIDNVSBFL",
   "smiles": "O=C(c1cncc(Br)c1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1",
   "targets": [
    "UNP:P0DTC1"
   ]
  },
  {
   "line": 24297,
   "comp_id": "UMQ",
   "ikey_connectivity": "UYEMNFYVTFDKRG",
   "smiles": "CCCCCCCCCCCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O",
   "targets": [
    "UNP:A0A010",
    "UNP:A0A8V1A9B9",
    "UNP:A0A8V1AGR1",
    "UNP:A0A9R0IV89",
    "UNP:D0VWW3",
    "UNP:P00044",
    "UNP:P00045",
    "UNP:P00127",
    "UNP:P00128",
    "UNP:P00163",
    "UNP:P00165",
    "UNP:P00166",
    "UNP:P00289",
    "UNP:P02916",
    "UNP:P07143",
    "UNP:P07256",
    "UNP:P07257",
    "UNP:P08067",
    "UNP:P08525",
    "UNP:P08980",
    "UNP:P0AEX9",
    "UNP:P16013",
    "UNP:P22289",
    "UNP:P39476",
    "UNP:P42212",
    "UNP:P43457",
    "UNP:P61045",
    "UNP:P68183",
    "UNP:P68187",
    "UNP:P69461",
    "UNP:P80883",
    "UNP:Q13563",
    "UNP:Q5ZIS0",
    "UNP:Q8GT36",
    "UNP:Q9M3L0",
    "UNP:Q9NW15",
    "UNP:Q9YHT1",
    "UNP:Q9YHT2"
   ]
  },
  {
   "line": 17623,
   "comp_id": "KAZ",
   "ikey_connectivity": "UTWXDNZWMQAUKL",
   "smiles": "CN1CCN(Cc2ccc(-c3cccc(C(=O)Nc4ccccc4CC(=O)O)c3)cc2)CC1",
   "targets": [
    "UNP:Q6IYF9"
   ]
  },
  {
   "line": 17343,
   "comp_id": "JWT",
   "ikey_connectivity": "NBJLHGBRFRTIKT",
   "smiles": "CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccc(F)cc1",
   "targets": [
    "UNP:Q9HU22"
   ]
  },
  {
   "line": 18204,
   "comp_id": "L50",
   "ikey_connectivity": "PCPXBXKPZNRAMA",
   "smiles": "Cc1ccc(CCCC(CC(=O)N(C)O)CP(=O)(O)O)cc1",
   "targets": [
    "UNP:Q8IKG4"
   ]
  },
  {
   "line": 14324,
   "comp_id": "FIH",
   "ikey_connectivity": "DJPFUQBNQLKCAB",
   "smiles": "Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc(F)cc3)sc2C(=O)O)cc1",
   "targets": [
    "UNP:Q99AU2"
   ]
  },
  {
   "line": 23044,
   "comp_id": "SKV",
   "ikey_connectivity": "CDSKRHGFXHZEQL",
   "smiles": "CC(C)C(NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2c1ccc2n[nH]cc2c1",
   "targets": [
    "UNP:K7CID1"
   ]
  },
  {
   "line": 1686,
   "comp_id": "2OO",
   "ikey_connectivity": "NDZPPXQOOUNQTQ",
   "smiles": "CCNc1nc2ccc(C#CC(C)(C)O)cc2n1-c1ncnc(N)n1",
   "targets": [
    "UNP:O96013"
   ]
  },
  {
   "line": 7309,
   "comp_id": "A1AKE",
   "ikey_connectivity": "GWSVTAOVQPLNIX",
   "smiles": "O=C(NC(C(=O)O)c1ccc2c(c1)CCO2)c1ncnc2[nH]ccc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 588,
   "comp_id": "10Q",
   "ikey_connectivity": "LWVMTILRDSZVMA",
   "smiles": "CN1C(=N)NC2(c3cc(-c4cccc(C#N)c4)cs3)CN(c3ncccc3C#N)CC2C1=O",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 9313,
   "comp_id": "A1EY1",
   "ikey_connectivity": "WTJWLDXEEZVLGX",
   "smiles": "O=c1[nH]c(=O)n(C2OC(COP(=O)(O)O)C(O)C2O)c2sccc12",
   "targets": [
    "UNP:Q9UKV8"
   ]
  },
  {
   "line": 12109,
   "comp_id": "C3S",
   "ikey_connectivity": "BHYOQNUELFTYRT",
   "smiles": "CC(C)CCCC(C)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C",
   "targets": [
    "UNP:A0A0B4J271",
    "UNP:A0A0K0K1A5",
    "UNP:A0N4Z6",
    "UNP:A0R4Q6",
    "UNP:O15118",
    "UNP:P01848",
    "UNP:P04234",
    "UNP:P07766",
    "UNP:P09693",
    "UNP:P0DSE2",
    "UNP:P20963",
    "UNP:P35398",
    "UNP:P48552",
    "UNP:P51449",
    "UNP:P61916",
    "UNP:P79345",
    "UNP:Q9Y6A2"
   ]
  },
  {
   "line": 21286,
   "comp_id": "Q2N",
   "ikey_connectivity": "MILLBOMBXCCZHF",
   "smiles": "O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccccn2)cs1",
   "targets": [
    "UNP:P9WHK7",
    "UNP:P9WMC1"
   ]
  },
  {
   "line": 20272,
   "comp_id": "OHF",
   "ikey_connectivity": "NIWBSQAKKNNWBT",
   "smiles": "O=Cc1c(O)cccc1OCC1COCCN1C(=O)c1cccnc1CCO",
   "targets": [
    "UNP:P68871",
    "UNP:P69905"
   ]
  },
  {
   "line": 23756,
   "comp_id": "TTX",
   "ikey_connectivity": "SIIRBDOFKDACOK",
   "smiles": "CC(C)CC1NC(=O)C(C)N(C)C(=O)CNC(=O)C(=Cc2ccccc2)N(C)C1=O",
   "targets": [
    "UNP:P00825",
    "UNP:P00833",
    "UNP:P05435",
    "UNP:P06450",
    "UNP:P06451",
    "UNP:P06453",
    "UNP:P11402",
    "UNP:P31853",
    "UNP:P69447"
   ]
  },
  {
   "line": 12749,
   "comp_id": "D4T",
   "ikey_connectivity": "ODSQODTUNULBHF",
   "smiles": "Cc1cn(C2C=CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O",
   "targets": [
    "UNP:P03366",
    "UNP:P22887"
   ]
  },
  {
   "line": 397,
   "comp_id": "0OG",
   "ikey_connectivity": "URCIOERTSWRWBE",
   "smiles": "CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2cc(C(=O)O)ccc2O)n3Cc2ccc(=O)[nH]c2)n1",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 4052,
   "comp_id": "668",
   "ikey_connectivity": "POYRTHYMXFSQBJ",
   "smiles": "CC(C)C(O)(C(=O)N1CCC(C2CCN(c3ccc(C(=O)N(C)C)c(Cl)c3)CC2)CC1)C(F)(F)F",
   "targets": [
    "UNP:Q13133",
    "UNP:Q15788"
   ]
  },
  {
   "line": 17670,
   "comp_id": "KDU",
   "ikey_connectivity": "GMVNBKZQJFRFAR",
   "smiles": "Clc1cccc(-n2nnnc2NCc2ccccc2Oc2ccccn2)c1Cl",
   "targets": [
    "UNP:Q64663"
   ]
  },
  {
   "line": 25957,
   "comp_id": "X6R",
   "ikey_connectivity": "KAXAUWZJVWGFDO",
   "smiles": "Nc1c(F)ccc2cnc(-n3ccc4ccncc43)cc12",
   "targets": [
    "UNP:P10636"
   ]
  },
  {
   "line": 5725,
   "comp_id": "8GN",
   "ikey_connectivity": "PAKOVKWPBKKYGI",
   "smiles": "CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC(N(C)C)C1",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 18537,
   "comp_id": "LMC",
   "ikey_connectivity": "UGINWNVBXWWHCS",
   "smiles": "CC(C=CC=C1N(C)c2ccccc2C1(C)C)=CC=O",
   "targets": [
    "UNP:P29373"
   ]
  },
  {
   "line": 45,
   "comp_id": "04T",
   "ikey_connectivity": "JXZXJHWSQKISBZ",
   "smiles": "CC(=O)Nc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1",
   "targets": [
    "UNP:P30838"
   ]
  },
  {
   "line": 12451,
   "comp_id": "CNO",
   "ikey_connectivity": "QRJRPWUABHMWAG",
   "smiles": "CC(C)(Oc1ccc(CC(=O)Nc2cccc(NC(=O)Cc3ccc(OC(C)(C)C(=O)O)cc3)c2)cc1)C(=O)O",
   "targets": [
    "UNP:P68871",
    "UNP:P69905"
   ]
  },
  {
   "line": 21210,
   "comp_id": "PZ3",
   "ikey_connectivity": "GAZNDTRYZUUOKB",
   "smiles": "COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C=O)o4)ccc3N(Cc3cncn3C)CC2Cc2ccc(OC(=O)NCc3ccccc3)cc2)cc1",
   "targets": [
    "UNP:Q08602",
    "UNP:Q08603"
   ]
  },
  {
   "line": 19289,
   "comp_id": "MYC",
   "ikey_connectivity": "IKMDFBPHZNJCSN",
   "smiles": "O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12",
   "targets": [
    "UNP:A6XNC6",
    "UNP:P04746",
    "UNP:P0DTD1",
    "UNP:P11309",
    "UNP:P14174",
    "UNP:P51110",
    "UNP:Q8NFU5"
   ]
  },
  {
   "line": 20903,
   "comp_id": "PFJ",
   "ikey_connectivity": "UBIIFKJMNRPNMT",
   "smiles": "COc1cc2ncnc(N3CCC(Oc4cnc5ccccc5n4)C3)c2cc1OC",
   "targets": [
    "UNP:Q9QYJ6"
   ]
  },
  {
   "line": 10525,
   "comp_id": "A1JWG",
   "ikey_connectivity": "",
   "smiles": "C=Cc1c(C)c2cc3[n]4->[Mg+2]56<-[n]7c(cc1[n-]->52)C(C)=C(CC)c7cc1c(C)c2c(c(c4C(CCC(=O)O)C3C)C(C(=O)OC)C2=O)[n-]->61",
   "targets": [
    "UNP:P21218"
   ]
  },
  {
   "line": 7735,
   "comp_id": "A1B5T",
   "ikey_connectivity": "WXXXEMOOVWCNSU",
   "smiles": "N#Cc1ncncc1CC(=O)N1CCCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 6846,
   "comp_id": "9YM",
   "ikey_connectivity": "QHLVFXGQUJCQEL",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(CNC2CC(N)C(O)C(O)C2O)c1O",
   "targets": [
    "UNP:Q4R0W2",
    "UNP:Q8G8Y2"
   ]
  },
  {
   "line": 17222,
   "comp_id": "JRF",
   "ikey_connectivity": "NSMPADIWUYJQKF",
   "smiles": "N#Cc1c(C(F)(F)F)cc(O)n2c1nc1ccccc12",
   "targets": [
    "UNP:Q6P9J9",
    "UNP:Q8BHY3"
   ]
  },
  {
   "line": 24332,
   "comp_id": "UON",
   "ikey_connectivity": "RGYSXOYXQMSTHS",
   "smiles": "COc1ccc2c(c1)nc(Cl)n2-c1ccc(C=O)cc1",
   "targets": [
    "UNP:P31947",
    "UNP:Q04206"
   ]
  },
  {
   "line": 23039,
   "comp_id": "SKP",
   "ikey_connectivity": "QUQKBSPZUVNKIF",
   "smiles": "CC(OC1CC(C(=O)O)=CC(OP(=O)(O)O)C1O)(OP(=O)(O)O)C(=O)O",
   "targets": [
    "UNP:P0A6D3"
   ]
  },
  {
   "line": 24482,
   "comp_id": "UX9",
   "ikey_connectivity": "UUCOHTKAVQHJKS",
   "smiles": "COC(=O)NC(C(=O)NN(CCC1(Cc2ccccc2)C(=O)N(C2c3ccccc3CC2O)CC1O)Cc1ccc(-c2ccncc2)cc1)C(C)(C)C",
   "targets": [
    "UNP:Q8Q3H0"
   ]
  },
  {
   "line": 7783,
   "comp_id": "A1B8H",
   "ikey_connectivity": "CACCFMCUTIQAGX",
   "smiles": "O=C(Nc1ccc2c(c1)CNC2)c1cccc2[nH]cnc12",
   "targets": [
    "UNP:Q32ZE1"
   ]
  },
  {
   "line": 17958,
   "comp_id": "KT0",
   "ikey_connectivity": "SABYITLYKSVAAD",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O",
   "targets": [
    "UNP:A0A5P1UDB1",
    "UNP:Q9HWG3"
   ]
  },
  {
   "line": 20347,
   "comp_id": "OLC",
   "ikey_connectivity": "RZRNAYUHWVFMIP",
   "smiles": "CCCCCCCCC=CCCCCCCCC(=O)OCC(O)CO",
   "targets": [
    "UNP:A0A0G2JU28",
    "UNP:A0A0K6BUR1",
    "UNP:A0A109QFA5",
    "UNP:A0A151EDA9",
    "UNP:A0A1G7VV58",
    "UNP:A0A2A1YWE9",
    "UNP:A0A2E9CEV6",
    "UNP:A0A2R4S913",
    "UNP:A0A3A0FWV3",
    "UNP:A0A517QXI7",
    "UNP:A0A8X8GS28",
    "UNP:A0A979HMS2",
    "UNP:A0A9X9ZA75",
    "UNP:A0AA82WPB4",
    "UNP:A4D7H3",
    "UNP:B0SJT7",
    "UNP:B0SR19",
    "UNP:B1B1U5",
    "UNP:B5AJT1",
    "UNP:B5Z8H1",
    "UNP:B7IE18",
    "UNP:C9K0Z0",
    "UNP:D7A5Q8",
    "UNP:D9IEF7",
    "UNP:F2Y337",
    "UNP:F9RBV9",
    "UNP:G3V914",
    "UNP:N0DKS8",
    "UNP:O14842",
    "UNP:O27985",
    "UNP:O34349",
    "UNP:O35089",
    "UNP:O35449",
    "UNP:O43914",
    "UNP:O59010",
    "UNP:O66905",
    "UNP:O88602",
    "UNP:P00268",
    "UNP:P00323",
    "UNP:P00720",
    "UNP:P02699",
    "UNP:P02931",
    "UNP:P02945",
    "UNP:P06008",
    "UNP:P06009",
    "UNP:P06010",
    "UNP:P07173",
    "UNP:P07550",
    "UNP:P07700",
    "UNP:P0ABE7",
    "UNP:P0C0Y7",
    "UNP:P0C0Y8",
    "UNP:P0C0Y9",
    "UNP:P0DMH7",
    "UNP:P0DMV3",
    "UNP:P0DOF5",
    "UNP:P10903",
    "UNP:P11169",
    "UNP:P11229",
    "UNP:P11922",
    "UNP:P12946",
    "UNP:P13501",
    "UNP:P13738",
    "UNP:P14138",
    "UNP:P14867",
    "UNP:P18507",
    "UNP:P19490",
    "UNP:P19491",
    "UNP:P19493",
    "UNP:P21730",
    "UNP:P21731",
    "UNP:P23818",
    "UNP:P23930",
    "UNP:P24530",
    "UNP:P25103",
    "UNP:P25116",
    "UNP:P28223",
    "UNP:P28472",
    "UNP:P29274",
    "UNP:P41143",
    "UNP:P42212",
    "UNP:P42866",
    "UNP:P43115",
    "UNP:P43261",
    "UNP:P46095",
    "UNP:P47900",
    "UNP:P51681",
    "UNP:P60932",
    "UNP:P60933",
    "UNP:P63756",
    "UNP:P69447",
    "UNP:P82543",
    "UNP:P9WPG7",
    "UNP:Q14728",
    "UNP:Q18DH8",
    "UNP:Q3J170",
    "UNP:Q3J1A5",
    "UNP:Q3J1A6",
    "UNP:Q3MHW7",
    "UNP:Q57556",
    "UNP:Q5KYD1",
    "UNP:Q5SJ79",
    "UNP:Q5SJ80",
    "UNP:Q5SMG8",
    "UNP:Q5ZKX9",
    "UNP:Q61420",
    "UNP:Q6GHN9",
    "UNP:Q6IYF9",
    "UNP:Q6MLJ0",
    "UNP:Q6TEK8",
    "UNP:Q6ZWS4",
    "UNP:Q71RJ2",
    "UNP:Q72GR9",
    "UNP:Q72GS0",
    "UNP:Q7Z7J7",
    "UNP:Q813T3",
    "UNP:Q86V24",
    "UNP:Q8L435",
    "UNP:Q8N5M9",
    "UNP:Q8NFZ4",
    "UNP:Q8RUT8",
    "UNP:Q8U2X0",
    "UNP:Q8VHW2",
    "UNP:Q8VHW5",
    "UNP:Q8VHX0",
    "UNP:Q99385",
    "UNP:Q99735",
    "UNP:Q99808",
    "UNP:Q99835",
    "UNP:Q9BQB6",
    "UNP:Q9H244",
    "UNP:Q9K0A9",
    "UNP:Q9KDP2",
    "UNP:Q9LT15",
    "UNP:Q9NS75",
    "UNP:Q9RFC8",
    "UNP:Q9RTP8",
    "UNP:Q9ULV1",
    "UNP:Q9V2J8",
    "UNP:Q9Y2T5",
    "UNP:Q9Z0S5",
    "UNP:R0G998",
    "UNP:S5DM51",
    "UNP:T0HHY7",
    "UNP:U5WZP7",
    "UNP:W8VZW3"
   ]
  },
  {
   "line": 17450,
   "comp_id": "K2D",
   "ikey_connectivity": "NTULOPNXUZKLEA",
   "smiles": "CCC(CC)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc(OC)cc1",
   "targets": [
    "UNP:P03367",
    "UNP:P03369",
    "UNP:P12497"
   ]
  },
  {
   "line": 26914,
   "comp_id": "YGI",
   "ikey_connectivity": "LKRSMSJNYWHAHQ",
   "smiles": "Cc1sc2ncn3c(SCC(=O)O)nnc3c2c1C",
   "targets": [
    "UNP:Q86WV6"
   ]
  },
  {
   "line": 4690,
   "comp_id": "72W",
   "ikey_connectivity": "XTRPLJQALBTCJE",
   "smiles": "CCc1ncnc2c1ncn2C1OC(C=CCNC(=O)c2cc(-c3ccc(F)cc3)cc(O)c2O)C(O)C1O",
   "targets": [
    "UNP:P22734"
   ]
  },
  {
   "line": 25762,
   "comp_id": "WX6",
   "ikey_connectivity": "VRIFLYXZFJUMPV",
   "smiles": "O=C(c1ccnc2[nH]c(O)nc12)N1CCCCCC1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 23897,
   "comp_id": "U2K",
   "ikey_connectivity": "RVHAVBXZRUCGCC",
   "smiles": "CC(=O)n1cc(-c2c(C)nn3c2OCC3)c2ccccc21",
   "targets": [
    "UNP:Q9UIF9"
   ]
  },
  {
   "line": 19525,
   "comp_id": "NAQ",
   "ikey_connectivity": "BZJFKYRGSZWSLT",
   "smiles": "CCC(=O)C(C)c1cc[n+](C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)cc1C(N)=O",
   "targets": [
    "UNP:P10807"
   ]
  },
  {
   "line": 20847,
   "comp_id": "PB9",
   "ikey_connectivity": "BRIVIXLMMUIBJY",
   "smiles": "COC(=O)N1CCC(CN(C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2ccccn2)CC1",
   "targets": [
    "UNP:Q02293",
    "UNP:Q04631"
   ]
  },
  {
   "line": 17738,
   "comp_id": "KGY",
   "ikey_connectivity": "BIGQJQKSDHOEOM",
   "smiles": "CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1",
   "targets": [
    "UNP:P78536"
   ]
  },
  {
   "line": 24305,
   "comp_id": "UN7",
   "ikey_connectivity": "AQIMGTQPGXDDPP",
   "smiles": "CNC(=O)C1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCc1cccc(C(=O)O)c1",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 9070,
   "comp_id": "A1EFY",
   "ikey_connectivity": "UTGKZTJNMQHXAT",
   "smiles": "COc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1",
   "targets": [
    "UNP:Q16769"
   ]
  },
  {
   "line": 4337,
   "comp_id": "6KI",
   "ikey_connectivity": "",
   "smiles": "CCC1=C(CC)c2cc3c(CC)c(CC)c4cc5[n]6->[Co]7(<-[n]2c1cc1c(CC)c(CC)c(cc6C(CC)=C5CC)[n-]->71)<-[n-]34",
   "targets": [
    "UNP:G3XD33"
   ]
  },
  {
   "line": 22112,
   "comp_id": "R74",
   "ikey_connectivity": "PDIUERQHFJXFMT",
   "smiles": "O=C(Cc1ccc2c(c1)OCO2)NC(CS)C(=O)NCc1ccncc1",
   "targets": [
    "UNP:O14965",
    "UNP:Q9ULW0"
   ]
  },
  {
   "line": 22166,
   "comp_id": "R9B",
   "ikey_connectivity": "DNDMLXSODUEUMP",
   "smiles": "O=C(NC(Cc1ccccc1)C(=O)NCc1cc(=O)[nH]c2ccc(Cl)cc12)c1ccc2[nH]c(=O)cc(O)c2c1",
   "targets": [
    "UNP:P03951"
   ]
  },
  {
   "line": 25916,
   "comp_id": "X4I",
   "ikey_connectivity": "LVTVBRDIHXWPMD",
   "smiles": "O=C(CNc1cc(F)cc(F)c1)NC(C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1",
   "targets": [
    "UNP:O96935"
   ]
  },
  {
   "line": 91,
   "comp_id": "06V",
   "ikey_connectivity": "DNZHKQMESCYJCG",
   "smiles": "CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(N2CCOCC2)c1",
   "targets": [
    "UNP:Q6FPH0"
   ]
  },
  {
   "line": 25239,
   "comp_id": "W4Y",
   "ikey_connectivity": "FVJCUZCRPIMVLB",
   "smiles": "CC(C)OCCn1c(=S)[nH]c(=O)c2[nH]ccc21",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 125,
   "comp_id": "08K",
   "ikey_connectivity": "UYIVCPRWMLOCSB",
   "smiles": "Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NN2C",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 25182,
   "comp_id": "W0Z",
   "ikey_connectivity": "AJJIOMGESOLWQL",
   "smiles": "COc1c(N)c(F)cc(C(=O)NC2CCC(=O)NC2=O)c1F",
   "targets": [
    "UNP:A4TVL0"
   ]
  },
  {
   "line": 22178,
   "comp_id": "RA0",
   "ikey_connectivity": "CGGUWDMVJGUARS",
   "smiles": "CCN(c1cccc(CCC(=O)O)c1)c1ccc2ccccc2n1",
   "targets": [
    "UNP:O15085",
    "UNP:P61586"
   ]
  },
  {
   "line": 23066,
   "comp_id": "SM2",
   "ikey_connectivity": "HQLQTGGLHBYZSA",
   "smiles": "O=C(Cc1cccs1)NC(B(O)O)c1cccc(C(=O)O)c1",
   "targets": [
    "UNP:P00811",
    "UNP:P62593",
    "UNP:Q6DRA1",
    "UNP:Q9L387",
    "UNP:Q9L5C8"
   ]
  },
  {
   "line": 6418,
   "comp_id": "9E8",
   "ikey_connectivity": "VPDAMEWDQFFXRN",
   "smiles": "NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 8938,
   "comp_id": "A1DNW",
   "ikey_connectivity": "AZJVVCUAKHRTHR",
   "smiles": "O=C(Nc1ccc(F)cc1F)C1COc2ccccc2O1",
   "targets": [
    "UNP:P9WN94"
   ]
  },
  {
   "line": 21991,
   "comp_id": "R1H",
   "ikey_connectivity": "LGGHDPFKSSRQNS",
   "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2",
   "targets": [
    "UNP:E7F1E3",
    "UNP:P08183",
    "UNP:Q9UNQ0"
   ]
  },
  {
   "line": 4496,
   "comp_id": "6SZ",
   "ikey_connectivity": "ZZUVWWINFTZMGV",
   "smiles": "Nc1ncc2ncn(C3OC4COP(=O)(O)OC4C3O)c2n1",
   "targets": [
    "UNP:O88703"
   ]
  },
  {
   "line": 18511,
   "comp_id": "LL3",
   "ikey_connectivity": "FNAMKJFTCMWMKP",
   "smiles": "O=C(Cc1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1",
   "targets": [
    "UNP:P9WMC1"
   ]
  },
  {
   "line": 19205,
   "comp_id": "MU0",
   "ikey_connectivity": "YTEURAFEAFHROU",
   "smiles": "CC(C)C(C(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)C1CN(c2ccccc2)C(=O)O1)N1CCCNC1=O",
   "targets": [
    "UNP:O38719"
   ]
  },
  {
   "line": 17514,
   "comp_id": "K5M",
   "ikey_connectivity": "MNLBJMNPVMBTLW",
   "smiles": "CS(=O)(=O)c1cccc(OCCCC(=O)NC2CC3CC3C2=O)c1",
   "targets": [
    "UNP:P25084"
   ]
  },
  {
   "line": 17757,
   "comp_id": "KI0",
   "ikey_connectivity": "RHQXKIXRULZELB",
   "smiles": "Cc1c(C(=O)C2=C(O)CCCC2=O)ccc2c1c(=O)n(C(C)c1ccccc1)c(=O)n2C",
   "targets": [
    "UNP:P93836"
   ]
  },
  {
   "line": 14972,
   "comp_id": "GFD",
   "ikey_connectivity": "DFIZGWXPFCOCFG",
   "smiles": "COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)S(=O)(=O)c3ccc(N)cc3)c3ccccc23)cc1",
   "targets": [
    "UNP:Q14145"
   ]
  },
  {
   "line": 1905,
   "comp_id": "30K",
   "ikey_connectivity": "LETIJBVXDGOQFG",
   "smiles": "CCN1CCC(Nc2ccc3c(c2)C(=C(c2ccccc2)c2nc4cc(OC)ccc4[nH]2)C(=O)N3)CC1",
   "targets": [
    "UNP:P54760"
   ]
  },
  {
   "line": 15839,
   "comp_id": "HSP",
   "ikey_connectivity": "FFIGWLBWBXCVHW",
   "smiles": "O=S(CCCCP(=O)(O)O)c1ccccc1O",
   "targets": [
    "UNP:P00929",
    "UNP:P0A2K1"
   ]
  },
  {
   "line": 14809,
   "comp_id": "G7D",
   "ikey_connectivity": "WEDDXRUKABMRIT",
   "smiles": "Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)c(O)c3)nc2c(=O)[nH]1",
   "targets": [
    "UNP:P9WNX1"
   ]
  },
  {
   "line": 4273,
   "comp_id": "6HK",
   "ikey_connectivity": "VHPMIVHLGSAOKI",
   "smiles": "COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3cncn3C)cc1N2",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 6484,
   "comp_id": "9HL",
   "ikey_connectivity": "GLFSJKKKONEYJI",
   "smiles": "Fc1cccc(C2CC2CNCCc2ccnc(-n3ccnc3)n2)c1",
   "targets": [
    "UNP:P29473",
    "UNP:P29476"
   ]
  },
  {
   "line": 23643,
   "comp_id": "TLQ",
   "ikey_connectivity": "JHRQNTBVKVZKLW",
   "smiles": "O=Cc1ccc(-n2ccnc2-c2ccccc2)c2ccccc12",
   "targets": [
    "UNP:P31947",
    "UNP:Q13526"
   ]
  },
  {
   "line": 9309,
   "comp_id": "A1EWW",
   "ikey_connectivity": "AVOKNZWKPLQRGP",
   "smiles": "CCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)cnc2n1C",
   "targets": [
    "UNP:Q16572"
   ]
  },
  {
   "line": 1090,
   "comp_id": "1QW",
   "ikey_connectivity": "ARIWANIATODDMH",
   "smiles": "CCCCCCCCCCCC(=O)OCC(O)CO",
   "targets": [
    "UNP:Q7A0I6"
   ]
  },
  {
   "line": 22039,
   "comp_id": "R3T",
   "ikey_connectivity": "HXKBWXXPMRDSEF",
   "smiles": "CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)CBr)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C",
   "targets": [
    "UNP:A0A8V0Z8P0",
    "UNP:P63043",
    "UNP:P81947",
    "UNP:Q6B856"
   ]
  },
  {
   "line": 1498,
   "comp_id": "2CT",
   "ikey_connectivity": "ZRSQIYJHXGHOBQ",
   "smiles": "COc1ccc(OC)c(NC(=O)COc2ccccc2P(=O)(O)O)c1",
   "targets": [
    "UNP:P31947"
   ]
  },
  {
   "line": 20462,
   "comp_id": "ORK",
   "ikey_connectivity": "PREBTZMCCRSQJI",
   "smiles": "CC(C)CC(NP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(C)C(=O)O",
   "targets": [
    "UNP:P43133"
   ]
  },
  {
   "line": 15246,
   "comp_id": "GUC",
   "ikey_connectivity": "UOHLPZVSOSMODJ",
   "smiles": "Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c(C2(C)Cc3c(ccnc3F)C(N)=N2)c1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 25300,
   "comp_id": "W8N",
   "ikey_connectivity": "BVFFOIBPIINEQR",
   "smiles": "Cc1ccc(C(=O)CC(C)(C)CC(=O)O)cc1Br",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 26468,
   "comp_id": "XW7",
   "ikey_connectivity": "GEJDGVNQKABXKG",
   "smiles": "COc1cc2c(cc1OC)C1CC(OC(=O)C(N)C(C)C)C(CC(C)C)CN1CC2",
   "targets": [
    "UNP:Q05940"
   ]
  },
  {
   "line": 20826,
   "comp_id": "P9T",
   "ikey_connectivity": "RMYHVOFFXNNDCT",
   "smiles": "O=c1cc(CP(=O)(O)O)c2c(F)cc(F)cc2o1",
   "targets": [
    "UNP:C7C422",
    "UNP:Q9K2N0"
   ]
  },
  {
   "line": 12625,
   "comp_id": "CZ4",
   "ikey_connectivity": "CNIWZQPSVDYFSY",
   "smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C)CC1",
   "targets": [
    "UNP:Q9UM73"
   ]
  },
  {
   "line": 5614,
   "comp_id": "89R",
   "ikey_connectivity": "",
   "smiles": "CCC1=C(C(F)(F)F)c2cc3c(CC)c(C)c4cc5[n]6->[Fe]7(<-[n]2c1cc1c(C)c(CCC(=O)[O-])c(cc6C(CCC(=O)[O-])=C5C)[n-]->71)<-[n-]43",
   "targets": [
    "UNP:P02185"
   ]
  },
  {
   "line": 20625,
   "comp_id": "OZZ",
   "ikey_connectivity": "HVTOTCCLXQPREB",
   "smiles": "O=C(NCC=CC1OC(n2ccc(=O)cc2)C(O)C1O)c1cc([N+](=O)[O-])cc(O)c1O",
   "targets": [
    "UNP:P22734"
   ]
  },
  {
   "line": 10117,
   "comp_id": "A1IY5",
   "ikey_connectivity": "RYGGELGJKGMCRW",
   "smiles": "O=C1CC(O)C(Cc2ccccc2)NC(=O)CCCCCCCCCCCCCNC(=O)C(Cc2cccnc2)N1",
   "targets": [
    "UNP:J9VS02"
   ]
  },
  {
   "line": 6776,
   "comp_id": "9V6",
   "ikey_connectivity": "YCQVFPIEKSYHFI",
   "smiles": "NC(CCCCNC(=O)OCc1ccccc1Cl)C(=O)O",
   "targets": [
    "UNP:Q8PWY1"
   ]
  },
  {
   "line": 25212,
   "comp_id": "W2W",
   "ikey_connectivity": "JYTISQGEFSHUIR",
   "smiles": "Cc1c(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2F)nc2ccc(-c3cnn(C4CC4)c3)cn2c1=O",
   "targets": [
    "UNP:Q12830"
   ]
  },
  {
   "line": 23760,
   "comp_id": "TU8",
   "ikey_connectivity": "HDQQGZLJXIFZDY",
   "smiles": "O=C1NC2(CCc3ccccc32)C(=O)N1c1cncc(F)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 11923,
   "comp_id": "BS7",
   "ikey_connectivity": "BWMXDESAZVPVGR",
   "smiles": "OCC1OC(Oc2cccc3cccnc23)C(O)C(O)C1O",
   "targets": [
    "UNP:Q1RBS0"
   ]
  },
  {
   "line": 1489,
   "comp_id": "2C7",
   "ikey_connectivity": "BIASYWBGUYOWJR",
   "smiles": "NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 9644,
   "comp_id": "A1I9R",
   "ikey_connectivity": "RAVLEGIYYNDFAK",
   "smiles": "CCC(=O)Nc1ccc(C2=NC(C(CC)C(=O)OC)c3nnc(C)n3-c3sc(C)c(C)c32)cc1",
   "targets": [
    "UNP:P25440"
   ]
  },
  {
   "line": 12892,
   "comp_id": "DCM",
   "ikey_connectivity": "NCMVOABPESMRCP",
   "smiles": "Nc1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)n1",
   "targets": [
    "UNP:A0R2K6",
    "UNP:B4Y380",
    "UNP:O41078",
    "UNP:P04818",
    "UNP:P08773",
    "UNP:P0A6I0",
    "UNP:P21589",
    "UNP:P24021",
    "UNP:Q7Y590",
    "UNP:Q91XB0",
    "UNP:Q9QY93",
    "UNP:Q9R1A9"
   ]
  },
  {
   "line": 13836,
   "comp_id": "ER4",
   "ikey_connectivity": "HVIKCINYHLGLMN",
   "smiles": "COCCCOc1ccc(C#CC2(O)CN3CCC2CC3)c(Cc2ccccc2)n1",
   "targets": [
    "UNP:P37268"
   ]
  },
  {
   "line": 25796,
   "comp_id": "WY8",
   "ikey_connectivity": "VEWJXUHPZNDXNI",
   "smiles": "Nc1ncnc2c1ncn2C1OC2COP(=O)(S)OC3C(F)C(COP(=O)(S)OC2C1F)CC3n1cnc2c(=O)[nH]cnc21",
   "targets": [
    "UNP:A0A7H0DNF0"
   ]
  },
  {
   "line": 8285,
   "comp_id": "A1BZA",
   "ikey_connectivity": "ZLCQVWFLQXJOKN",
   "smiles": "O=C(Nc1cc(-c2cnco2)cc(C(F)(F)F)c1)c1cccc(Cl)c1",
   "targets": [
    "UNP:Q9Y6A2"
   ]
  },
  {
   "line": 20520,
   "comp_id": "OUF",
   "ikey_connectivity": "AWGPPDHJJBIGAJ",
   "smiles": "CC(C)OCCCN(Cc1ccco1)C(=O)Nc1cn(C)c(=O)c2ccccc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 8866,
   "comp_id": "A1D93",
   "ikey_connectivity": "XOKIPUOFVAXWHS",
   "smiles": "O=S(=O)(Cc1ccccc1)Nc1ccc2nc[nH]c2c1",
   "targets": [
    "UNP:Q16769"
   ]
  },
  {
   "line": 8431,
   "comp_id": "A1CC6",
   "ikey_connectivity": "QTRXIFVSTWXRJJ",
   "smiles": "Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O",
   "targets": [
    "UNP:Q9H237"
   ]
  },
  {
   "line": 20126,
   "comp_id": "O8W",
   "ikey_connectivity": "XHAOZPSJXRBUJD",
   "smiles": "CCC(C)NC(=O)C(CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1",
   "targets": [
    "UNP:P47811"
   ]
  },
  {
   "line": 22984,
   "comp_id": "SHT",
   "ikey_connectivity": "CVQZOMWKHKTFCZ",
   "smiles": "CC(OP(=O)(O)O)C(NC(=O)C=CCCCCSSCCS(=O)(=O)O)C(=O)O",
   "targets": [
    "UNP:A0A284VQI9",
    "UNP:A0A2L1C9A1",
    "UNP:A0A2L1C9H0",
    "UNP:A0A2L1CAX0",
    "UNP:A0A2L1CBB0",
    "UNP:A0A2L1CBB3",
    "UNP:A0A2L1CBG2",
    "UNP:A0A7J9PIK9",
    "UNP:A0A822J4Y5",
    "UNP:G0H350",
    "UNP:G0H3B1",
    "UNP:G0H411",
    "UNP:P11558",
    "UNP:P11560",
    "UNP:P11562",
    "UNP:Q8THG7",
    "UNP:Q8THH0",
    "UNP:Q8THH1"
   ]
  },
  {
   "line": 17926,
   "comp_id": "KRF",
   "ikey_connectivity": "PGNLXEBQMQHFNK",
   "smiles": "CC(=O)N1CCN(C2CCCC(NC(=O)c3cc4c(F)ccc(C)c4[nH]3)C2)CC1",
   "targets": [
    "UNP:Q9BYW2"
   ]
  },
  {
   "line": 22405,
   "comp_id": "RLW",
   "ikey_connectivity": "OEXHNVPDHFPXCA",
   "smiles": "COc1ccc(C2=NNC(=O)C2(C)C)cc1OC1CCCC1",
   "targets": [
    "UNP:Q08499"
   ]
  },
  {
   "line": 489,
   "comp_id": "0UU",
   "ikey_connectivity": "NFTRTTWPZBZTLY",
   "smiles": "COC(=O)C1CCC(n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1",
   "targets": [
    "UNP:Q9UM73"
   ]
  },
  {
   "line": 16557,
   "comp_id": "IW2",
   "ikey_connectivity": "ZTXSVCNYFKOGBX",
   "smiles": "Oc1c(Br)cc(CCc2c(Cl)cccc2Cl)cc1Br",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 15871,
   "comp_id": "HUX",
   "ikey_connectivity": "QTPHSDHUHXUYFE",
   "smiles": "CCC1=CC2Cc3nc4cc(Cl)ccc4c(N)c3C(C1)C2",
   "targets": [
    "UNP:P04058"
   ]
  },
  {
   "line": 5519,
   "comp_id": "857",
   "ikey_connectivity": "KMNCFOUKJYOZIF",
   "smiles": "CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCC5CCCN5C)c4)nc3c2)ccn1",
   "targets": [
    "UNP:P35968"
   ]
  },
  {
   "line": 18111,
   "comp_id": "L0B",
   "ikey_connectivity": "MXYUKLILVYORSK",
   "smiles": "CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1",
   "targets": [
    "UNP:I6L8L2",
    "UNP:P36544",
    "UNP:P58154"
   ]
  },
  {
   "line": 3782,
   "comp_id": "5TA",
   "ikey_connectivity": "DALBYXAUBIFWAM",
   "smiles": "NCc1cccc(OCC2CN(c3cccc(C#Cc4cccnc4Cl)c3)C(=O)O2)c1",
   "targets": [
    "UNP:Q15661"
   ]
  },
  {
   "line": 17523,
   "comp_id": "K5Z",
   "ikey_connectivity": "MCPMDVYDZQBIHS",
   "smiles": "N=C(N)c1cc(-c2ccccc2)c(CCCN)s1",
   "targets": [
    "UNP:P31947",
    "UNP:Q9GZV5"
   ]
  },
  {
   "line": 24515,
   "comp_id": "UZ2",
   "ikey_connectivity": "QIXCWPPRGHCUNI",
   "smiles": "CNc1cc(N2CCC3(CC2)CN(c2ccc(CN4CCC(C)(C)CC4)cc2)CC(=O)N3C)ncn1",
   "targets": [
    "UNP:Q86U44",
    "UNP:Q9HCE5"
   ]
  },
  {
   "line": 455,
   "comp_id": "0SZ",
   "ikey_connectivity": "ZGVIUMKHTXKKOX",
   "smiles": "O=C(O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1",
   "targets": [
    "UNP:P42330"
   ]
  },
  {
   "line": 634,
   "comp_id": "132",
   "ikey_connectivity": "FEKRWNWZMOSVBX",
   "smiles": "NC(=[NH2+])c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl",
   "targets": [
    "UNP:P00734",
    "UNP:P00749",
    "UNP:P00760",
    "UNP:P05981",
    "UNP:P28504"
   ]
  },
  {
   "line": 21430,
   "comp_id": "QA7",
   "ikey_connectivity": "QRKXCZFTEMACEI",
   "smiles": "CC(C)CC(=O)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:A0ABF7PI88"
   ]
  },
  {
   "line": 20176,
   "comp_id": "OB7",
   "ikey_connectivity": "NQOVQKVPQWLWNF",
   "smiles": "CCN(c1ccc(Cl)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 19698,
   "comp_id": "NKP",
   "ikey_connectivity": "WRGQSWVCFNIUNZ",
   "smiles": "CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)O",
   "targets": [
    "UNP:A0A590UJY2",
    "UNP:A0AAN0NNU4",
    "UNP:A0AAN0NNU5",
    "UNP:A0AAN0NNU6",
    "UNP:A8IFG7",
    "UNP:A8IKC8",
    "UNP:A8IL32",
    "UNP:A8ITV3",
    "UNP:P09144",
    "UNP:P0ABE7",
    "UNP:P0C0Y7",
    "UNP:P0C0Y8",
    "UNP:P0C0Y9",
    "UNP:P10824",
    "UNP:P12154",
    "UNP:P12352",
    "UNP:P12356",
    "UNP:P14224",
    "UNP:P14225",
    "UNP:P40474",
    "UNP:P43657",
    "UNP:P53173",
    "UNP:P59768",
    "UNP:P59777",
    "UNP:P62871",
    "UNP:P62873",
    "UNP:P63096",
    "UNP:P63212",
    "UNP:P63213",
    "UNP:Q00914",
    "UNP:Q05093",
    "UNP:Q13822",
    "UNP:Q14344",
    "UNP:Q39615",
    "UNP:Q3J170",
    "UNP:Q3J1A5",
    "UNP:Q3J1A6",
    "UNP:Q64610",
    "UNP:Q75VY6",
    "UNP:Q75VY7",
    "UNP:Q75VY8",
    "UNP:Q75VY9",
    "UNP:Q75VZ0",
    "UNP:Q84Y02",
    "UNP:Q92633",
    "UNP:Q9R1E6"
   ]
  },
  {
   "line": 21582,
   "comp_id": "QI1",
   "ikey_connectivity": "DFRQCUSEVBJDPJ",
   "smiles": "O=C(CCCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)NO",
   "targets": [
    "UNP:P0DPI1"
   ]
  },
  {
   "line": 5007,
   "comp_id": "7HK",
   "ikey_connectivity": "UHXSMHRHMWNZNO",
   "smiles": "COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(Nc3ccncc3)cc1N2",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 9638,
   "comp_id": "A1I9B",
   "ikey_connectivity": "DPFWMQCOCUDXJZ",
   "smiles": "CN(CCC(Oc1cccc2ccccc12)c1cccs1)C(=S)NCc1ccc(S(N)(=O)=O)cc1",
   "targets": [
    "UNP:P43166"
   ]
  },
  {
   "line": 6325,
   "comp_id": "99E",
   "ikey_connectivity": "KCGVENSOXCWCNF",
   "smiles": "CCc1c(C(=O)NCc2c(O)ccc3cccc(O)c23)[nH]c(C)c1C(C)=O",
   "targets": [
    "UNP:Q09472",
    "UNP:Q92793"
   ]
  },
  {
   "line": 5195,
   "comp_id": "7PT",
   "ikey_connectivity": "NUPNVWUYFVEAIT",
   "smiles": "CC1=CC23C(COC(=O)C24CO4)C(C(=O)O)=CC3C1C",
   "targets": [
    "UNP:E3VWI3"
   ]
  },
  {
   "line": 16108,
   "comp_id": "I71",
   "ikey_connectivity": "GKUBEDOOUKCUOW",
   "smiles": "CCNC(=O)C(O)C(CC1CCNC1=O)NC(=O)C1C2C(CN1C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C)C2(C)C",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 17148,
   "comp_id": "JO0",
   "ikey_connectivity": "XGODRLQJWOBUMJ",
   "smiles": "Clc1cccc(CN2CNc3c(NC4CC4)nc(Cl)nc32)c1",
   "targets": [
    "UNP:Q96MU7"
   ]
  },
  {
   "line": 18913,
   "comp_id": "M8J",
   "ikey_connectivity": "PWGCLXASZRXSOJ",
   "smiles": "NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 2075,
   "comp_id": "393",
   "ikey_connectivity": "VABIMMIJVWNHFI",
   "smiles": "O=C(O)COc1cc(Cl)ccc1C(=O)NCc1cccc([N+](=O)[O-])c1",
   "targets": [
    "UNP:P15121"
   ]
  },
  {
   "line": 7712,
   "comp_id": "A1B54",
   "ikey_connectivity": "OFDCWASTDCXECL",
   "smiles": "COc1cccc(SC(C)C)c1NC(=O)N1CCCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 12040,
   "comp_id": "C01",
   "ikey_connectivity": "RYNHNIDEKCRWHJ",
   "smiles": "CCCc1cc2c(=O)n(C)oc2c(CCC)c1OC(C(=O)[O-])c1ccc(C(C)C)cc1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 1897,
   "comp_id": "302",
   "ikey_connectivity": "XHDKIDMFBWLHAX",
   "smiles": "O=C(O)c1ccc(C=NOCCON=Cc2cc(=O)[nH]c(=O)[nH]2)cc1",
   "targets": [
    "UNP:P13051"
   ]
  },
  {
   "line": 155,
   "comp_id": "0AS",
   "ikey_connectivity": "JXSVIVRDWWRQRT",
   "smiles": "CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 25311,
   "comp_id": "W94",
   "ikey_connectivity": "CYNIHEXFNGMKLP",
   "smiles": "O=C(C1CC(N2CCC(c3cc(C(F)(F)F)nn3-c3ccccc3)CC2)CN1)N1CCSC1",
   "targets": [
    "UNP:P27487"
   ]
  },
  {
   "line": 12270,
   "comp_id": "CCW",
   "ikey_connectivity": "ABSOUQYCCCLTCI",
   "smiles": "CS(=O)(=O)CC(N)=NCCCC(N)C(=O)O",
   "targets": [
    "UNP:P29476"
   ]
  },
  {
   "line": 15011,
   "comp_id": "GHB",
   "ikey_connectivity": "LBCXJROJUODEIN",
   "smiles": "CC(C)Cc1cn(-c2ccc(C(=O)NCCC(F)(F)F)cc2)nn1",
   "targets": [
    "UNP:P9WMC1"
   ]
  },
  {
   "line": 12386,
   "comp_id": "CK6",
   "ikey_connectivity": "OTMLAWRVLMYMDF",
   "smiles": "CNc1nc(C)c(-c2ccnc(Nc3ccc(O)cc3)n2)s1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 21547,
   "comp_id": "QGB",
   "ikey_connectivity": "STWVLEKJQQRGMO",
   "smiles": "CC1CN(C2CCN(c3nc(N)n[nH]3)CC2)C(Cc2ccc(Cl)cc2)CO1",
   "targets": [
    "UNP:Q13231"
   ]
  },
  {
   "line": 27650,
   "comp_id": "ZQ0",
   "ikey_connectivity": "PXQNPAFJUFSQDI",
   "smiles": "CCCCNC(=O)N1CCN(C(=O)c2ccc(C)o2)CC1",
   "targets": [
    "UNP:Q8WWQ0"
   ]
  },
  {
   "line": 23341,
   "comp_id": "T3Y",
   "ikey_connectivity": "JFYBCAFLVNKHHG",
   "smiles": "O=S(=O)(O)c1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)C2",
   "targets": [
    "UNP:A0A0S4TLR1",
    "UNP:A0AAP7ZHZ3",
    "UNP:B6HWK0",
    "UNP:P00044",
    "UNP:P00698"
   ]
  },
  {
   "line": 8330,
   "comp_id": "A1C2R",
   "ikey_connectivity": "OQTIQKOYTGENEM",
   "smiles": "CC(C)CC(NC(=O)OCC1COP(=O)(OCc2ccc(F)cc2)N1CC(C)C)C(=O)NC(C=O)CC1CCNC1=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 1615,
   "comp_id": "2J7",
   "ikey_connectivity": "XTLGIBKGPXLOFA",
   "smiles": "Oc1ccccc1CNc1cc(NCc2ccccc2O)ncn1",
   "targets": [
    "UNP:P55212"
   ]
  },
  {
   "line": 11704,
   "comp_id": "BFS",
   "ikey_connectivity": "KFTNEILVDDUXGR",
   "smiles": "CC(NC(=O)c1cc(F)ccc1O)c1ccc(Br)cc1",
   "targets": [
    "UNP:P56221"
   ]
  },
  {
   "line": 25116,
   "comp_id": "VVW",
   "ikey_connectivity": "AEFSLXKVONEDJJ",
   "smiles": "CC(Oc1cc(NC(=O)Nc2nc(C=O)c(CN3CCN(C)CC3=O)cc2OCCN2CCOCC2)ncc1C#N)c1c(Cl)cncc1Cl",
   "targets": [
    "UNP:P22455"
   ]
  },
  {
   "line": 21101,
   "comp_id": "PRP",
   "ikey_connectivity": "PQGCEDQWHSBAJP",
   "smiles": "O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O",
   "targets": [
    "UNP:A0A0H2Z117",
    "UNP:A0A5S9CYM0",
    "UNP:A5U4M0",
    "UNP:B9ZW32",
    "UNP:D0KMY9",
    "UNP:O26008",
    "UNP:P07285",
    "UNP:P07741",
    "UNP:P08870",
    "UNP:P13298",
    "UNP:P43490",
    "UNP:P43619",
    "UNP:P50384",
    "UNP:P60891",
    "UNP:P9WFR5",
    "UNP:P9WFX5",
    "UNP:P9WHK9",
    "UNP:Q26997",
    "UNP:Q4DRC4",
    "UNP:Q4FQF7",
    "UNP:Q4FTX3",
    "UNP:Q66DQ2",
    "UNP:Q8VP84",
    "UNP:Q967M2"
   ]
  },
  {
   "line": 9117,
   "comp_id": "A1EJX",
   "ikey_connectivity": "GQHFJDVSIFLECJ",
   "smiles": "CN(C)C(=O)c1ccc(-c2cnc3c(-c4ccc(F)c5[nH]ncc45)c(N)c(=O)[nH]c3c2)cc1",
   "targets": [
    "UNP:Q99640"
   ]
  },
  {
   "line": 1027,
   "comp_id": "1NN",
   "ikey_connectivity": "BLYJASYJWHXVPZ",
   "smiles": "CCc1sc(-c2ccc(OC)c(OCCF)c2)nc1CSc1nc(N)cc(N)n1",
   "targets": [
    "UNP:P27707"
   ]
  },
  {
   "line": 27418,
   "comp_id": "ZAA",
   "ikey_connectivity": "QIGYDDWEDSMCSH",
   "smiles": "Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)nc2CC(=O)O)c1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 20828,
   "comp_id": "PA6",
   "ikey_connectivity": "JDTMNMAQWVSSOO",
   "smiles": "CCCCC(=O)OCC(COP(=O)(O)O)OC=O",
   "targets": [
    "UNP:A0A7G6KN55"
   ]
  },
  {
   "line": 24915,
   "comp_id": "VJM",
   "ikey_connectivity": "UUSXGRTVICHEJW",
   "smiles": "CC1COCCN1c1cc(C2(S(C)(N)O)CC2)nc(-c2ccnc3[nH]ccc23)n1",
   "targets": [
    "UNP:P21675"
   ]
  },
  {
   "line": 4900,
   "comp_id": "7CP",
   "ikey_connectivity": "XGUIMGJMQKZRGM",
   "smiles": "CN1CCC2(CC1)NC(=O)c1c(c3ccc(Cl)c(Cl)c3n1C)C2C#N",
   "targets": [
    "UNP:O43293",
    "UNP:P11309"
   ]
  },
  {
   "line": 19964,
   "comp_id": "O23",
   "ikey_connectivity": "YUHKXKGPLTYXSO",
   "smiles": "O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4cccs4)nccn23)cc1",
   "targets": [
    "UNP:P33981"
   ]
  },
  {
   "line": 22680,
   "comp_id": "S1C",
   "ikey_connectivity": "ZIZLPMUXPKXCNP",
   "smiles": "CC(=O)Nc1ccc(-c2cccc(C(=O)O)c2)cc1",
   "targets": [
    "UNP:Q6XEC0"
   ]
  },
  {
   "line": 23076,
   "comp_id": "SMS",
   "ikey_connectivity": "GGOAQSGCBDRTHT",
   "smiles": "CC1(C)OC2C3OS(=O)(=O)OC3COC2(COS(N)(=O)=O)O1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 3864,
   "comp_id": "5XI",
   "ikey_connectivity": "LFVHMTNJDWYMGD",
   "smiles": "COC(=O)N1CCC(N2CCC(n3c(=O)n(C)c4ccccc43)CC2)CC1",
   "targets": [
    "UNP:P08173",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096"
   ]
  },
  {
   "line": 1041,
   "comp_id": "1OA",
   "ikey_connectivity": "SBDJADVTLNKDBC",
   "smiles": "O=C(Nc1ccc(F)cc1)c1cnn2c(O)cc(C3CCNCC3)nc12",
   "targets": [
    "UNP:P11309"
   ]
  },
  {
   "line": 1856,
   "comp_id": "2XI",
   "ikey_connectivity": "VNQJAMKKDIWKCG",
   "smiles": "CC(O)C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC(C)(C)C)c1cccnc1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 9154,
   "comp_id": "A1EM2",
   "ikey_connectivity": "WBYNZQXAAWPAGR",
   "smiles": "CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2)nc2ncnn12",
   "targets": [
    "UNP:P0ABE7",
    "UNP:P46089",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63092",
    "UNP:Q9V2J8"
   ]
  },
  {
   "line": 22118,
   "comp_id": "R7C",
   "ikey_connectivity": "NKFDRBNQGNFXBT",
   "smiles": "O=c1cc(Br)[nH]c(-c2nnn[nH]2)c1O",
   "targets": [
    "UNP:C3W5S0"
   ]
  },
  {
   "line": 3364,
   "comp_id": "594",
   "ikey_connectivity": "XTTQQKAKULCXCM",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COS(=O)(=O)NC(=O)CCCCC2SCC3NC(=O)NC32)C(O)C1F",
   "targets": [
    "UNP:I6YFP0"
   ]
  },
  {
   "line": 21315,
   "comp_id": "Q4F",
   "ikey_connectivity": "YIAJPHRNXAQOJC",
   "smiles": "CC(=O)N1CC2CC1CN2Cc1cccc(Cl)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 8321,
   "comp_id": "A1C1T",
   "ikey_connectivity": "LUFPCZGJEJVZAL",
   "smiles": "CC1CCC(=O)N1Nc1ncnc2[nH]c(I)cc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 8222,
   "comp_id": "A1BVI",
   "ikey_connectivity": "BATCUENAARTUKW",
   "smiles": "Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2)cc1",
   "targets": [
    "UNP:D6N7U3"
   ]
  },
  {
   "line": 14909,
   "comp_id": "GBP",
   "ikey_connectivity": "OGZMPQOWGQBWAV",
   "smiles": "NC(CCC(=O)NC(CSC(O)N(O)c1ccc(Br)cc1)C(=O)NCC(=O)O)C(=O)O",
   "targets": [
    "UNP:Q16775"
   ]
  },
  {
   "line": 6955,
   "comp_id": "A1A1X",
   "ikey_connectivity": "DDGFJCBIYRJVAU",
   "smiles": "CCc1ccc(NC(=O)Cn2c(N)nc3ccccc32)nc1",
   "targets": [
    "UNP:O00187"
   ]
  },
  {
   "line": 11197,
   "comp_id": "AM0",
   "ikey_connectivity": "OYDJAYPDIUTXRU",
   "smiles": "COc1cc(Nc2ncnc(-n3c(Nc4ccccc4)nc4ccccc43)n2)cc(OC)c1OC",
   "targets": [
    "UNP:P06239"
   ]
  },
  {
   "line": 25216,
   "comp_id": "W31",
   "ikey_connectivity": "SGKXXAIIXVXKBG",
   "smiles": "CC(OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)cccc3Cl)CC2=O)c1)c1ccccc1",
   "targets": [
    "UNP:P00338"
   ]
  },
  {
   "line": 9013,
   "comp_id": "A1EC1",
   "ikey_connectivity": "WRPZEFTYHRJVMP",
   "smiles": "CSc1ccc(Oc2ccc([N+](=O)[O-])c(N)c2Cl)cc1",
   "targets": [
    "UNP:Q0INZ4"
   ]
  },
  {
   "line": 10830,
   "comp_id": "A1LZ6",
   "ikey_connectivity": "IHUOWXQOCOSXSU",
   "smiles": "Cc1ccc(N2CC(N3CCC(C)(O)CC3)C2)cc1C(=O)NC1(c2ccc3c4c(cccc24)C(=O)N3C)CC1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 16313,
   "comp_id": "IJ9",
   "ikey_connectivity": "JXDHMKNOEOYBOX",
   "smiles": "C#CCN(C)Cc1nc(C2(O)CNC(c3nc(-c4ccc(Br)cc4)no3)C2)cs1",
   "targets": [
    "UNP:P11838"
   ]
  },
  {
   "line": 22383,
   "comp_id": "RL1",
   "ikey_connectivity": "PQZGUYBCXAZFGQ",
   "smiles": "O=C(c1cc(-c2nnc3ccc(Br)cn23)c(O)cc1O)N1CCc2ccccc2C1",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 6969,
   "comp_id": "A1A2G",
   "ikey_connectivity": "KCBGMKNRIHGMKM",
   "smiles": "O=S1(=O)CCCC(O)(CNc2ncnc3[nH]ccc23)C1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 14119,
   "comp_id": "F6J",
   "ikey_connectivity": "PGBYHFSGSTUFFN",
   "smiles": "CC(C)Cc1cc(-c2c[nH]c3ncc(-c4ccccc4)cc23)ccc1C(=O)O",
   "targets": [
    "UNP:Q96RR4"
   ]
  },
  {
   "line": 6667,
   "comp_id": "9PS",
   "ikey_connectivity": "VBDICJKWECPUIF",
   "smiles": "Oc1ccc(C=Cc2ccc3ccccc3c2)cc1O",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 25315,
   "comp_id": "W9B",
   "ikey_connectivity": "ZEMDUTKBHNQQIG",
   "smiles": "CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(O)(C(=O)O)C(F)(F)F)c1",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 2627,
   "comp_id": "444",
   "ikey_connectivity": "SGIWFELWJPNFDH",
   "smiles": "O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1",
   "targets": [
    "UNP:P51449",
    "UNP:P55055"
   ]
  },
  {
   "line": 24975,
   "comp_id": "VMP",
   "ikey_connectivity": "CWTXJPICSREUOK",
   "smiles": "O=C(NC(=O)c1ccc2ccccc2c1)NC1OC(CO)C(O)C(O)C1O",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 817,
   "comp_id": "1CS",
   "ikey_connectivity": "VJYIFXVZLXQVHO",
   "smiles": "COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1",
   "targets": [
    "UNP:P04483",
    "UNP:P07342"
   ]
  },
  {
   "line": 2769,
   "comp_id": "4C0",
   "ikey_connectivity": "AZXJPZVGZBWZMA",
   "smiles": "O=C(CCc1ccccc1)NC(Cc1nc2ccccc2[nH]1)C(=O)O",
   "targets": [
    "UNP:Q13526"
   ]
  },
  {
   "line": 16886,
   "comp_id": "JAY",
   "ikey_connectivity": "ZMXNWFRGUZJFLG",
   "smiles": "O=C1c2ccccc2NC(c2ccccc2F)N1CCN1CCC(N2C(=O)c3ccccc3NC2c2ccccc2F)CC1",
   "targets": [
    "UNP:O43924"
   ]
  },
  {
   "line": 11935,
   "comp_id": "BTG",
   "ikey_connectivity": "FLXAKMSHXBTMLT",
   "smiles": "CC(=O)NC1C(Oc2ccccc2-c2cccc(C(=O)O)c2)OC(CO)C(O)C1O",
   "targets": [
    "UNP:Q1RBS0"
   ]
  },
  {
   "line": 11898,
   "comp_id": "BQS",
   "ikey_connectivity": "QKTCJJYONPZDQD",
   "smiles": "CCCn1nc(-c2ccc(C(F)(F)F)c(SCCN3CCCCC3)c2)c2c1CCN(C(=O)CC1CCN(CC3CCCCC3)CC1)C2",
   "targets": [
    "UNP:P25774"
   ]
  },
  {
   "line": 15952,
   "comp_id": "HYT",
   "ikey_connectivity": "NRGHNOMCGATBLG",
   "smiles": "Cn1nc(O)c(C(=O)Nc2c(F)c(F)c(-c3ccccc3)c(F)c2F)n1",
   "targets": [
    "UNP:Q02127"
   ]
  },
  {
   "line": 24836,
   "comp_id": "VGA",
   "ikey_connectivity": "BKSGACYTXOQQNI",
   "smiles": "OC1CN(C2=Nc3ccccc3C(c3ccccc3)=NC2c2cccs2)C1",
   "targets": [
    "UNP:Q9ZLT0"
   ]
  },
  {
   "line": 25966,
   "comp_id": "X77",
   "ikey_connectivity": "MUNFBYOTGGMQOS",
   "smiles": "CC(C)(C)c1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NC2CCCCC2)c2cccnc2)cc1",
   "targets": [
    "UNP:A0A059VJE6",
    "UNP:P0C6X5",
    "UNP:P0C6X7",
    "UNP:P0DTC1",
    "UNP:P0DTD1",
    "UNP:W5ZZG0"
   ]
  },
  {
   "line": 11803,
   "comp_id": "BL6",
   "ikey_connectivity": "KAJFGRLMKVNMLH",
   "smiles": "Cc1ccc2c(c1)N=C1N(c3ccccc3)CCC1(O)C2=O",
   "targets": [
    "UNP:P08799"
   ]
  },
  {
   "line": 18339,
   "comp_id": "LBK",
   "ikey_connectivity": "RJFMUYZWDLSYSX",
   "smiles": "COc1cc2ncnc(NC(C)c3ccccc3)c2cc1OC",
   "targets": [
    "UNP:Q07889"
   ]
  },
  {
   "line": 20061,
   "comp_id": "O6C",
   "ikey_connectivity": "AHTLZLMZYZBDHQ",
   "smiles": "CN(C)CCSSCCNC(=O)C1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1",
   "targets": [
    "UNP:P03372",
    "UNP:P04049",
    "UNP:P31947",
    "UNP:P40818"
   ]
  },
  {
   "line": 1155,
   "comp_id": "1U4",
   "ikey_connectivity": "XQFJAKNVSJXHDS",
   "smiles": "CC(C)CC(NC(=O)C(Cc1ccccc1)NP(=O)(O)CNC(=O)OCc1ccccc1)C(=O)O",
   "targets": [
    "UNP:P00800"
   ]
  },
  {
   "line": 193,
   "comp_id": "0CK",
   "ikey_connectivity": "WUDBUIUHVNECTM",
   "smiles": "Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1",
   "targets": [
    "UNP:P48730"
   ]
  },
  {
   "line": 3956,
   "comp_id": "61Z",
   "ikey_connectivity": "UEFPXXUPWRHSCV",
   "smiles": "Oc1ccc2c(c1)CN(c1nc(Cl)nc3scc(-c4ccccc4)c13)C2",
   "targets": [
    "UNP:E7EWM1",
    "UNP:P03372"
   ]
  },
  {
   "line": 117,
   "comp_id": "08C",
   "ikey_connectivity": "HETSSARHFAGODR",
   "smiles": "COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 25151,
   "comp_id": "VYT",
   "ikey_connectivity": "AIRZFEKQGRSBNX",
   "smiles": "COc1ccc(N=Nc2cc(OC)c(OC)c(OC)c2)cc1O",
   "targets": [
    "UNP:P81947",
    "UNP:Q6B856"
   ]
  },
  {
   "line": 3893,
   "comp_id": "5YP",
   "ikey_connectivity": "VUAMLKVINZWIJR",
   "smiles": "CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccc(F)c4)cs3)cc2)c1",
   "targets": [
    "UNP:O43175"
   ]
  },
  {
   "line": 5751,
   "comp_id": "8HV",
   "ikey_connectivity": "XZCZXZPDNUPSAB",
   "smiles": "CC(C)(O)C(=O)N1CCC(c2ccc(NC(=O)n3cc4ccc(F)cc4c3)cc2)CC1",
   "targets": [
    "UNP:P43490"
   ]
  },
  {
   "line": 22953,
   "comp_id": "SFM",
   "ikey_connectivity": "WZVMDDRRINUPRQ",
   "smiles": "CC(=O)CCC1C(=O)NC(C(C)C)C(=O)NC(Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)OC(C(C)=CCO)CC=CC=CC(O)C(C)C1O",
   "targets": [
    "UNP:P62937"
   ]
  },
  {
   "line": 17584,
   "comp_id": "K97",
   "ikey_connectivity": "PGNDNJYNINUQIJ",
   "smiles": "O=C(O)c1ccc2c(CN3CCOCC3)c[nH]c2c1",
   "targets": [
    "UNP:Q90EA1"
   ]
  },
  {
   "line": 14605,
   "comp_id": "FXU",
   "ikey_connectivity": "SJCAGVRRCBPLMJ",
   "smiles": "CS(=O)(=O)CCC(N)C(=O)Nc1cccc(OC(F)(F)F)c1",
   "targets": [
    "UNP:P47205"
   ]
  },
  {
   "line": 6161,
   "comp_id": "91R",
   "ikey_connectivity": "JIVPAQSXWIKFCI",
   "smiles": "O=[N+]([O-])c1cc(C#CCC(O)CO)cn1C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1",
   "targets": [
    "UNP:P19821"
   ]
  },
  {
   "line": 18329,
   "comp_id": "LB6",
   "ikey_connectivity": "CWLHYPMSORHOPU",
   "smiles": "O=C(O)CNC(=O)Cn1ccc2ccc(Br)cc21",
   "targets": [
    "UNP:A0A0H3K724"
   ]
  },
  {
   "line": 14677,
   "comp_id": "G0X",
   "ikey_connectivity": "MQJYIBCWAJRDCH",
   "smiles": "O=C1CCCC(O)=C1C(=O)c1nc(Cl)c(Cl)c(NCc2ccc(Cl)cc2)c1Cl",
   "targets": [
    "UNP:P93836"
   ]
  },
  {
   "line": 10418,
   "comp_id": "A1JMR",
   "ikey_connectivity": "NKRKBSQLUPEVCZ",
   "smiles": "CNC(=O)c1ccc(NCC#Cc2cc3c(NC4CCN(C)CC4F)cccc3n2CC(F)(F)F)c(OC)c1",
   "targets": [
    "UNP:P04637"
   ]
  },
  {
   "line": 15467,
   "comp_id": "H64",
   "ikey_connectivity": "MWGWLDJLENCVRQ",
   "smiles": "CC(C)NCCCn1c(Sc2cc3c(cc2Br)OCO3)nc2c(N)ncnc21",
   "targets": [
    "UNP:P02829",
    "UNP:P07900"
   ]
  },
  {
   "line": 12988,
   "comp_id": "DJQ",
   "ikey_connectivity": "SCNJPRUXBGWNTB",
   "smiles": "O=C(c1ccc2[nH]ncc2c1)N1CCC2(CC1)C(=O)N(Cc1nc(C3CC3)no1)CN2c1ccccc1",
   "targets": [
    "UNP:Q08345"
   ]
  },
  {
   "line": 11639,
   "comp_id": "BBJ",
   "ikey_connectivity": "FBKMWOJEPMPVTQ",
   "smiles": "NS(=O)(=O)NCCNc1nonc1C(=NO)Nc1ccc(F)c(Br)c1",
   "targets": [
    "UNP:P00918",
    "UNP:P14902"
   ]
  },
  {
   "line": 1392,
   "comp_id": "26Y",
   "ikey_connectivity": "OPYZIUIJGFRFFX",
   "smiles": "CC(C)c1ccc(C=CC(=O)NC2OC(CO)C(O)C(O)C2O)cc1",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 20948,
   "comp_id": "PIE",
   "ikey_connectivity": "PDLAMJKMOKWLAJ",
   "smiles": "CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OC1C(O)C(O)C(O)C(O)C1O",
   "targets": [
    "UNP:A0QT07",
    "UNP:A0QT08",
    "UNP:A0QT09",
    "UNP:A0QT10",
    "UNP:A0R4D1",
    "UNP:O43520",
    "UNP:P00127",
    "UNP:P00128",
    "UNP:P00163",
    "UNP:P07143",
    "UNP:P07256",
    "UNP:P07257",
    "UNP:P08067",
    "UNP:P08525",
    "UNP:P22289",
    "UNP:P29016",
    "UNP:P61769",
    "UNP:Q5T848",
    "UNP:Q9F103",
    "UNP:Q9NV96",
    "UNP:Q9Y3Q4"
   ]
  },
  {
   "line": 13697,
   "comp_id": "EK4",
   "ikey_connectivity": "ZSJWFEBPAQOKJC",
   "smiles": "O=C(NC(CO)c1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(C(F)(F)F)c2)c[nH]1",
   "targets": [
    "UNP:P28482"
   ]
  },
  {
   "line": 7901,
   "comp_id": "A1BHG",
   "ikey_connectivity": "HPXFKNAPMISREJ",
   "smiles": "CCS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1F",
   "targets": [
    "UNP:Q9H999"
   ]
  },
  {
   "line": 14152,
   "comp_id": "F8D",
   "ikey_connectivity": "MATFGXSXXCCYSM",
   "smiles": "CC(=O)N1CC(CO)C2Oc3ccc(Cl)cc3C21",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 3786,
   "comp_id": "5TE",
   "ikey_connectivity": "ICGIQDRKVXQXTR",
   "smiles": "O=C(CCC1CCCC1)Nc1cccc(N2CCCCC2)c1",
   "targets": [
    "UNP:P9WMC1"
   ]
  },
  {
   "line": 18598,
   "comp_id": "LQ5",
   "ikey_connectivity": "PWDLXPJQFNVTNL",
   "smiles": "CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 16244,
   "comp_id": "IF5",
   "ikey_connectivity": "NDIGSJHLVCILCU",
   "smiles": "O=C(Nc1ccnn1-c1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 23680,
   "comp_id": "TOV",
   "ikey_connectivity": "UEOPDLSNUIJOSR",
   "smiles": "CSc1nc(-c2cccc(NC(=O)c3cc(O)ccc3F)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 2901,
   "comp_id": "4K4",
   "ikey_connectivity": "IWMCPJZTADUIFX",
   "smiles": "COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C",
   "targets": [
    "UNP:O14757",
    "UNP:O60885",
    "UNP:P25440",
    "UNP:Q58F21",
    "UNP:Q5S007"
   ]
  },
  {
   "line": 121,
   "comp_id": "08G",
   "ikey_connectivity": "RAXZSEGXMBWYQK",
   "smiles": "CC(NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c1ccccc1",
   "targets": [
    "UNP:F5HDE4",
    "UNP:P28482"
   ]
  },
  {
   "line": 15191,
   "comp_id": "GQX",
   "ikey_connectivity": "KCVACUMTAXEALK",
   "smiles": "Cc1[nH]c(-c2csc(N=C(N)N)n2)c2c1C(=O)CCC2",
   "targets": [
    "UNP:O60885",
    "UNP:Q9UIF9"
   ]
  },
  {
   "line": 13566,
   "comp_id": "ED8",
   "ikey_connectivity": "FNHUNERGHGEZMB",
   "smiles": "CN1CCC(Oc2ccc3ncn(-c4cc(OCc5ccccc5C(F)(F)F)c(C(N)=O)s4)c3c2)CC1",
   "targets": [
    "UNP:P51955"
   ]
  },
  {
   "line": 3570,
   "comp_id": "5IN",
   "ikey_connectivity": "RLZYVXBJYQEXBP",
   "smiles": "N=C(N)c1ccc(CNC(=O)C(COCc2ccccc2)NC(=O)C(CO)NS(=O)(=O)Cc2ccccc2)cc1",
   "targets": [
    "UNP:P00749"
   ]
  },
  {
   "line": 20933,
   "comp_id": "PHG",
   "ikey_connectivity": "",
   "smiles": "[Hg]<-[c-]1ccccc1",
   "targets": [
    "UNP:P12259"
   ]
  },
  {
   "line": 5488,
   "comp_id": "83G",
   "ikey_connectivity": "OKGPFTLYBPQBIX",
   "smiles": "COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3C)c12",
   "targets": [
    "UNP:B0FDK7",
    "UNP:O40222",
    "UNP:P19550"
   ]
  },
  {
   "line": 23368,
   "comp_id": "T58",
   "ikey_connectivity": "NDUCBUBAJQQVOX",
   "smiles": "COc1ccc(CCC2OC(=O)C3CCCCN3C(=O)C(C3CCCCC3)c3cc(OC)c(OC)c(c3)OCC=CCOc3cccc2c3)cc1OC",
   "targets": [
    "UNP:Q13451"
   ]
  },
  {
   "line": 5877,
   "comp_id": "8NM",
   "ikey_connectivity": "JEALBKSAOZOBET",
   "smiles": "Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 26233,
   "comp_id": "XKW",
   "ikey_connectivity": "HSHRFJIDBGHTKO",
   "smiles": "NCC(NC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)[nH]1)c1ncc(CO)s1",
   "targets": [
    "UNP:A0A0M3KKW8"
   ]
  },
  {
   "line": 19043,
   "comp_id": "MHI",
   "ikey_connectivity": "FMNCPUGORYYCEM",
   "smiles": "CC(N)C(=O)NC(CCC(=O)NC(CCCC(N)C(=O)O)C(=O)O)C(=O)O",
   "targets": [
    "UNP:O25708",
    "UNP:P26906",
    "UNP:P77348",
    "UNP:P82974"
   ]
  },
  {
   "line": 11032,
   "comp_id": "A9R",
   "ikey_connectivity": "QKGWUZMVBVLWES",
   "smiles": "COc1cc2ncc(-c3ccccn3)n2cc1-c1cnn(C)c1",
   "targets": [
    "UNP:P36888"
   ]
  },
  {
   "line": 9045,
   "comp_id": "A1EE2",
   "ikey_connectivity": "QLQTUVZVGBAASB",
   "smiles": "O=C(Nc1ccccc1C(=O)NC1CC1)c1cccc(N2CCCC2=O)c1",
   "targets": [
    "UNP:Q8IDM6"
   ]
  },
  {
   "line": 3496,
   "comp_id": "5EU",
   "ikey_connectivity": "SYKYEGTTWRENSH",
   "smiles": "Cc1cc(-c2ccc(O)cc2Cl)sc1-c1ccc(O)cc1Cl",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 5541,
   "comp_id": "867",
   "ikey_connectivity": "DMXKZVDCWGJXLG",
   "smiles": "COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCCCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)ccc2c1",
   "targets": [
    "UNP:Q9WVG6"
   ]
  },
  {
   "line": 24730,
   "comp_id": "VB8",
   "ikey_connectivity": "CGGPQJWTZLKAFY",
   "smiles": "CSc1cc(CN2CCC(C)(C)CC2)ccc1C(=O)NCC1(O)CCCN(c2cc(NCc3ccccc3)ncn2)C1",
   "targets": [
    "UNP:Q86U44",
    "UNP:Q9HCE5"
   ]
  },
  {
   "line": 10843,
   "comp_id": "A1LZS",
   "ikey_connectivity": "BZWMZSPIVLREMK",
   "smiles": "CCc1nc(N)nc(N)c1OCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1",
   "targets": [
    "UNP:D9N170"
   ]
  },
  {
   "line": 4521,
   "comp_id": "6U5",
   "ikey_connectivity": "DDWBORAVXJGWPK",
   "smiles": "CCCCS(=O)(=O)Nc1ccc2cnn(C)c2c1",
   "targets": [
    "UNP:P9WQD9"
   ]
  },
  {
   "line": 13630,
   "comp_id": "EGE",
   "ikey_connectivity": "KIEQFSOPBAHUOM",
   "smiles": "Nc1cc(O)c(C(=O)O)cc1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 25457,
   "comp_id": "WG8",
   "ikey_connectivity": "ORCRDPGEVSKAFA",
   "smiles": "O=C(O)C1CSC(c2ccc3cccc(O)c3n2)=N1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 20328,
   "comp_id": "OKD",
   "ikey_connectivity": "USQOBCXXBZGYAH",
   "smiles": "COCCOCCOCCOCCOCc1cn(CCCCC(NC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)nn1",
   "targets": [
    "UNP:Q04609"
   ]
  },
  {
   "line": 27568,
   "comp_id": "ZLK",
   "ikey_connectivity": "YEEZWCHGZNKEEK",
   "smiles": "COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12",
   "targets": [
    "UNP:P30822",
    "UNP:P41920",
    "UNP:P62826",
    "UNP:Q00910"
   ]
  },
  {
   "line": 16716,
   "comp_id": "J2E",
   "ikey_connectivity": "MDEBQDIFTFRECC",
   "smiles": "COc1ccc(C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1OC1CCCC1",
   "targets": [
    "UNP:Q08499",
    "UNP:Q8WQX9"
   ]
  },
  {
   "line": 4760,
   "comp_id": "76B",
   "ikey_connectivity": "ZQNYOBSVRHHBCA",
   "smiles": "Cc1cc(-c2n[nH]c(CCNC(=O)c3cc(-c4ccc(F)cc4)cc(O)c3O)n2)ccn1",
   "targets": [
    "UNP:P22734"
   ]
  },
  {
   "line": 3091,
   "comp_id": "4V8",
   "ikey_connectivity": "IKCMXTMBGDOSIP",
   "smiles": "O=c1cc(N2CCc3n[nH]c(-c4ccncc4)c3C2)ccn1Cc1ccccc1",
   "targets": [
    "UNP:P28482"
   ]
  },
  {
   "line": 18915,
   "comp_id": "M8M",
   "ikey_connectivity": "MIGFZONTOHGZMB",
   "smiles": "Cc1nc2c(N)ncnc2n1C1OC(CN(C)CCON)C(O)C1O",
   "targets": [
    "UNP:P17707"
   ]
  },
  {
   "line": 6332,
   "comp_id": "99P",
   "ikey_connectivity": "KNPSDIKTQZBRCN",
   "smiles": "NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1cccnc1",
   "targets": [
    "UNP:P00734",
    "UNP:P09945"
   ]
  },
  {
   "line": 472,
   "comp_id": "0U6",
   "ikey_connectivity": "CWIYQEZJRSEBAE",
   "smiles": "CCc1nc(N)nc(N)c1Cc1cc(C=CC(=O)N2N=Cc3ccccc3C2C=C(C)C)c(OC)c(OC)c1",
   "targets": [
    "UNP:P0A017"
   ]
  },
  {
   "line": 9315,
   "comp_id": "A1EY3",
   "ikey_connectivity": "AJZPKLAJMBTWQD",
   "smiles": "NC(c1ccc(-c2ccccc2F)cc1)c1nccs1",
   "targets": [
    "UNP:P52566"
   ]
  },
  {
   "line": 2657,
   "comp_id": "45K",
   "ikey_connectivity": "DOXLZSAKRJWFJV",
   "smiles": "O=C1Nc2ccc3ncsc3c2C1=CNc1ccc2c(c1)CS(=O)(=O)C2",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 26884,
   "comp_id": "YF9",
   "ikey_connectivity": "UHKXYXZSKFBQCD",
   "smiles": "N#Cc1cc(Cl)cc2c1CC(Nc1ncc3c(n1)CN(S(=O)(=O)C1COC1)C3)C2",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 8196,
   "comp_id": "A1BU3",
   "ikey_connectivity": "RZKMSTBKXJRLJH",
   "smiles": "Cc1cc(N)nc2cc(-c3ccc(OCC4CC4)c(CN)c3)c(F)cc12",
   "targets": [
    "UNP:P29474",
    "UNP:P29476"
   ]
  },
  {
   "line": 1354,
   "comp_id": "24I",
   "ikey_connectivity": "PPTCQJLGUKWAEP",
   "smiles": "O=C(O)CCC(CP(=O)(O)Cc1ccc(I)cc1)C(=O)O",
   "targets": [
    "UNP:Q04609"
   ]
  },
  {
   "line": 11504,
   "comp_id": "B4I",
   "ikey_connectivity": "REDPQDQMPNUDEP",
   "smiles": "O=C(O)c1ccc(CN2CCCC(OC(CO)c3cc(Cl)cc(Cl)c3)C2c2ccccc2)c([N+](=O)[O-])c1",
   "targets": [
    "UNP:Q13976"
   ]
  },
  {
   "line": 20951,
   "comp_id": "PIJ",
   "ikey_connectivity": "QVAGJHIIXLLVCI",
   "smiles": "CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O",
   "targets": [
    "UNP:P28496",
    "UNP:P38703",
    "UNP:Q03579"
   ]
  },
  {
   "line": 20709,
   "comp_id": "P42",
   "ikey_connectivity": "LYKCEYRWVRQPBD",
   "smiles": "CCCCCCCCCCCCCCCCCC(O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(O)CCCCCCCCCCCCCCC",
   "targets": [
    "UNP:B5XGR7",
    "UNP:O60894",
    "UNP:O60896",
    "UNP:O70343",
    "UNP:P10997",
    "UNP:P12969",
    "UNP:P30988",
    "UNP:P33242",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63092"
   ]
  },
  {
   "line": 1690,
   "comp_id": "2OW",
   "ikey_connectivity": "RFUBTTPMWSKEIW",
   "smiles": "COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1",
   "targets": [
    "UNP:P03069",
    "UNP:P05977",
    "UNP:P12883",
    "UNP:P42212",
    "UNP:P85100",
    "UNP:P97457",
    "UNP:Q9BE39"
   ]
  },
  {
   "line": 15424,
   "comp_id": "H4L",
   "ikey_connectivity": "ADTNNAQOIVHYIK",
   "smiles": "CC(O)c1nccn1Cc1cc(C#Cc2ccc(CCCO)cc2)on1",
   "targets": [
    "UNP:P47205"
   ]
  },
  {
   "line": 19774,
   "comp_id": "NQ5",
   "ikey_connectivity": "ZWPJBXLFZFLGMV",
   "smiles": "COCCS(=O)(=O)Nc1cc(-c2cc3c(c(OCC4CN(C5COC5)CCO4)c2)COC3)cnc1OC",
   "targets": [
    "UNP:O35904"
   ]
  },
  {
   "line": 15863,
   "comp_id": "HUK",
   "ikey_connectivity": "JNHBUJVXUSKTKS",
   "smiles": "CCCC[NH+](C)C(Cc1c[nH]c2ccccc12)C[NH+](C)CCC1CCCCCC1",
   "targets": [
    "UNP:P06276"
   ]
  },
  {
   "line": 8263,
   "comp_id": "A1BY8",
   "ikey_connectivity": "WRZPJKRMVZRMQR",
   "smiles": "CCCCCCCCCCCCCCC(Br)C(=O)NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O",
   "targets": [
    "UNP:A0A0E8V6Y3",
    "UNP:A0AB33SQC8"
   ]
  },
  {
   "line": 6515,
   "comp_id": "9IY",
   "ikey_connectivity": "KYXDHJBRPDKXBZ",
   "smiles": "O=C(NCc1ccc(C2OC(COP(=O)(O)O)C(O)C2O)cc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1",
   "targets": [
    "UNP:Q99KQ4"
   ]
  },
  {
   "line": 5720,
   "comp_id": "8GE",
   "ikey_connectivity": "FQMXYEJYLSYDSS",
   "smiles": "NS(=O)(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 20685,
   "comp_id": "P2Z",
   "ikey_connectivity": "ZGUGWUXLJSTTMA",
   "smiles": "CN(C)CCCN1c2ccccc2Sc2ccccc21",
   "targets": [
    "UNP:P04925"
   ]
  },
  {
   "line": 11725,
   "comp_id": "BHB",
   "ikey_connectivity": "FDIXHXDLCOSDFY",
   "smiles": "CN(C)CCSCc1cc(N)cc2c(=O)[nH]c(N)nc12",
   "targets": [
    "UNP:P28720"
   ]
  },
  {
   "line": 8186,
   "comp_id": "A1BTO",
   "ikey_connectivity": "ZAWYJTRWMXCCSD",
   "smiles": "C#CCn1c(-c2cccc(Cl)c2)c(-n2nnc3ccccc32)c(=O)n(-c2cncc3ccccc23)c1=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 14607,
   "comp_id": "FY1",
   "ikey_connectivity": "ZLGSUAWZOLKSNW",
   "smiles": "COCOc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1[N+](=O)[O-]",
   "targets": [
    "UNP:P25084"
   ]
  },
  {
   "line": 2954,
   "comp_id": "4O0",
   "ikey_connectivity": "YFALJJNRFPFPRE",
   "smiles": "Cc1c(Sc2cccc(C(=O)O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CC2)c2ccccc21",
   "targets": [
    "UNP:Q13822"
   ]
  },
  {
   "line": 23099,
   "comp_id": "SOK",
   "ikey_connectivity": "NHRQHOMIYFOZIR",
   "smiles": "Cc1[nH]c(-c2cc(N)ccc2Cl)c2c1C(=O)CC=CC2",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 11501,
   "comp_id": "B4C",
   "ikey_connectivity": "HJDPWVALYXRQIB",
   "smiles": "NCCCCC(NC(=O)OCc1ccccc1)C(=O)NC(CCc1ccccc1)C(=O)NC(CCCCN)C(O)c1nc2ccccc2o1",
   "targets": [
    "UNP:Q16651"
   ]
  },
  {
   "line": 13808,
   "comp_id": "EPL",
   "ikey_connectivity": "GDWXALVJBAAUJN",
   "smiles": "CCOP(=O)(OCC)Oc1ccc(OC)cc1",
   "targets": [
    "UNP:Q93LD7"
   ]
  },
  {
   "line": 14139,
   "comp_id": "F7L",
   "ikey_connectivity": "HWPXULNASVXWSB",
   "smiles": "OC(COCc1ccccc1F)CN1CCCC1",
   "targets": [
    "UNP:P11838"
   ]
  },
  {
   "line": 20483,
   "comp_id": "OSN",
   "ikey_connectivity": "VBTDHMQUNCGCSZ",
   "smiles": "COc1ccc2c(c1)N(CCCC=Cc1cccc3c1NC(C)CC(=O)N3)CCC2",
   "targets": [
    "UNP:Q92793"
   ]
  },
  {
   "line": 14933,
   "comp_id": "GDD",
   "ikey_connectivity": "MVMSCBBUIHUTGJ",
   "smiles": "Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1",
   "targets": [
    "UNP:A0AAN0NPA4",
    "UNP:E9BG32",
    "UNP:O58689",
    "UNP:O60547",
    "UNP:P32056",
    "UNP:Q5A477",
    "UNP:Q6EF58",
    "UNP:Q6T1X6",
    "UNP:Q6XQ58",
    "UNP:Q8NNK8",
    "UNP:Q8U4M3",
    "UNP:Q93VR3",
    "UNP:Q96IJ6",
    "UNP:Q9Y5P6"
   ]
  },
  {
   "line": 12623,
   "comp_id": "CYZ",
   "ikey_connectivity": "BOCUKUHCLICSIY",
   "smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O",
   "targets": [
    "UNP:O88602",
    "UNP:P19490",
    "UNP:P19491",
    "UNP:P19493",
    "UNP:Q5BJU5",
    "UNP:Q71RJ2",
    "UNP:Q8VHW5",
    "UNP:Q8VHX0",
    "UNP:Q9Y698"
   ]
  },
  {
   "line": 491,
   "comp_id": "0UX",
   "ikey_connectivity": "HJDZMDZEUQKVPL",
   "smiles": "CNc1nc2c(CCNCC34CC5CC(CC(C5)C3)C4)c3nc(N)[nH]c(=O)c3cc2[nH]1",
   "targets": [
    "UNP:P28720"
   ]
  },
  {
   "line": 5935,
   "comp_id": "8QC",
   "ikey_connectivity": "DVWBDPNOOAMAKK",
   "smiles": "CNc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Br)ccc1OC",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 22523,
   "comp_id": "RSB",
   "ikey_connectivity": "KWBWMGZANKQLDI",
   "smiles": "COCC1CN(C(C)c2ccccn2)C(=O)C2CCCC1N2S(=O)(=O)c1ccc2ncsc2c1",
   "targets": [
    "UNP:Q13451"
   ]
  },
  {
   "line": 23173,
   "comp_id": "STC",
   "ikey_connectivity": "YRWKEEDITQJPCZ",
   "smiles": "O=C(O)c1sccc1S(=O)(=O)Nc1ccc(Cl)cc1",
   "targets": [
    "UNP:P00811"
   ]
  },
  {
   "line": 14113,
   "comp_id": "F6B",
   "ikey_connectivity": "ZFNCKGXGCCDDFN",
   "smiles": "NS(=O)(=O)c1ccc(C(=O)NCc2c(F)cccc2F)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 10736,
   "comp_id": "A1L93",
   "ikey_connectivity": "IRBAWVGZNJIROV",
   "smiles": "O=c1nc(OCC2COCCO2)cc2n1CCc1cc(C#CC3CC3)ccc1-2",
   "targets": [
    "UNP:P0ABE7",
    "UNP:Q9NQS5"
   ]
  },
  {
   "line": 27446,
   "comp_id": "ZED",
   "ikey_connectivity": "UQWLOWFDKAFKAP",
   "smiles": "CC(CS)C(=O)N1CC(Sc2ccccc2)CC1C(=O)O",
   "targets": [
    "UNP:P00727",
    "UNP:P12821"
   ]
  },
  {
   "line": 5294,
   "comp_id": "7U8",
   "ikey_connectivity": "HJXJUNZGSRTQEN",
   "smiles": "COC(=O)c1[nH]cc(-c2c[nH]c3cc(Cl)c(Cl)cc23)c1-c1c[nH]c2ccc(Cl)cc12",
   "targets": [
    "UNP:Q4AE59"
   ]
  },
  {
   "line": 23230,
   "comp_id": "SX0",
   "ikey_connectivity": "DIULHULFPSIBAK",
   "smiles": "Nc1ncnc2c1c(Br)cn2C1OC(CSCCC(N)C(=O)O)C(O)C1O",
   "targets": [
    "UNP:Q8TEK3"
   ]
  },
  {
   "line": 24499,
   "comp_id": "UY9",
   "ikey_connectivity": "SHGMSJNVTCKQHS",
   "smiles": "CCc1cc(C(=O)NC)c2nccc(N3CCc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1",
   "targets": [
    "UNP:P61964"
   ]
  },
  {
   "line": 13325,
   "comp_id": "E2A",
   "ikey_connectivity": "GCPXSVVUBYVMMX",
   "smiles": "COC(=O)C1(C)CCC(=O)C(C(=O)OCc2ccccc2)C1",
   "targets": [
    "UNP:P28482"
   ]
  },
  {
   "line": 8914,
   "comp_id": "A1DFE",
   "ikey_connectivity": "MKTLFWOATSDRLM",
   "smiles": "COc1cccc(NC(=O)c2cccc(NC(=O)CCl)c2)c1",
   "targets": [
    "UNP:P15374"
   ]
  },
  {
   "line": 965,
   "comp_id": "1KD",
   "ikey_connectivity": "UMUPQWIGCOZEOY",
   "smiles": "CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12",
   "targets": [
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096",
    "UNP:Q92847"
   ]
  },
  {
   "line": 25196,
   "comp_id": "W1X",
   "ikey_connectivity": "HPKPRXOHNCNKLQ",
   "smiles": "Nc1ccc(C(=O)NC2CCC(=O)NC2=O)c(C(F)(F)F)c1",
   "targets": [
    "UNP:A4TVL0"
   ]
  },
  {
   "line": 11573,
   "comp_id": "B7U",
   "ikey_connectivity": "ZWNCJNODOVPNTF",
   "smiles": "CC(NC(=O)C(C)c1ccccc1)c1ccccc1",
   "targets": [
    "UNP:P41365"
   ]
  },
  {
   "line": 18433,
   "comp_id": "LH4",
   "ikey_connectivity": "VJIGZSIHTAESLS",
   "smiles": "O=C(CCCCC1SCC2NC(=O)NC21)NNc1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1",
   "targets": [
    "UNP:P22629"
   ]
  },
  {
   "line": 10200,
   "comp_id": "A1JBN",
   "ikey_connectivity": "CRXJVFIHZPTDKA",
   "smiles": "O=C(O)c1ccc[n+](C2OC(CO)C(O)C(O)C2O)c1",
   "targets": [
    "UNP:B6VRE6",
    "UNP:P52579"
   ]
  },
  {
   "line": 15061,
   "comp_id": "GJT",
   "ikey_connectivity": "IPVDZUUVRPUAMB",
   "smiles": "CCC(CC)OC1C=C(C(=O)O)CC(n2cc(CO)nn2)C1NC(C)=O",
   "targets": [
    "UNP:C6KP13"
   ]
  },
  {
   "line": 8318,
   "comp_id": "A1C1H",
   "ikey_connectivity": "KSRZOKMBEVEESD",
   "smiles": "Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)O",
   "targets": [
    "UNP:P0DTD2"
   ]
  },
  {
   "line": 9048,
   "comp_id": "A1EEC",
   "ikey_connectivity": "JPJWHCNGSBCZMI",
   "smiles": "CC(C(=O)O)c1ccccc1-c1cc2c(cn1)ncn2C(C)c1c(Cl)ccc(C2CC2)c1Cl",
   "targets": [
    "UNP:P43220",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63092",
    "UNP:P63096"
   ]
  },
  {
   "line": 19,
   "comp_id": "02U",
   "ikey_connectivity": "JSOOUDKFWVPPEF",
   "smiles": "CCC(C)CCCC=CCCCCCCCC(=O)O",
   "targets": [
    "UNP:P00803"
   ]
  },
  {
   "line": 14202,
   "comp_id": "FBQ",
   "ikey_connectivity": "GPBGHVRNVGXPNM",
   "smiles": "Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(C(O)(O)C(F)(F)F)c1",
   "targets": [
    "UNP:P04058"
   ]
  },
  {
   "line": 15417,
   "comp_id": "H44",
   "ikey_connectivity": "RWYJTZOFPFOVAE",
   "smiles": "N=C(Nc1ccc(CCNCc2cccc(NC(=N)c3cccs3)c2)cc1)c1cccs1",
   "targets": [
    "UNP:P29473",
    "UNP:P29474",
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 17601,
   "comp_id": "K9W",
   "ikey_connectivity": "NVHUWMJPJVDTBQ",
   "smiles": "N#Cc1ccc(-c2ccc(CC(CN)NC(=O)C3CCCN3)cc2)cc1",
   "targets": [
    "UNP:P53634"
   ]
  },
  {
   "line": 8061,
   "comp_id": "A1BP1",
   "ikey_connectivity": "LQNOWDAJBFJAFM",
   "smiles": "CC(Cc1cocn1)NC(=O)c1nn(C)c2ccccc12",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 11534,
   "comp_id": "B64",
   "ikey_connectivity": "GJODSFZNKNHKML",
   "smiles": "COC(=O)c1sc(-c2cccs2)cc1NC(=O)C=CC(=O)O",
   "targets": [
    "UNP:P04117"
   ]
  },
  {
   "line": 5966,
   "comp_id": "8RZ",
   "ikey_connectivity": "VERSLSAMPJEQIQ",
   "smiles": "NC(=O)n1cc(NC(=O)N2C(C(=O)Nc3cccc(OC(F)(F)F)c3)CC3CC32)c2ccccc21",
   "targets": [
    "UNP:P00746"
   ]
  },
  {
   "line": 6869,
   "comp_id": "9ZS",
   "ikey_connectivity": "OFPQQEBBZKPLFE",
   "smiles": "O=C(Nc1nccc2[nH]c(-c3c(Cl)cccc3Cl)nc12)C1CC1",
   "targets": [
    "UNP:O60674",
    "UNP:P29597"
   ]
  },
  {
   "line": 17230,
   "comp_id": "JRN",
   "ikey_connectivity": "FIWWNQSCRCYESI",
   "smiles": "Cc1cc2c3c(c1C)C(C)(C)CC(CCc1c(F)c(F)c(F)c(F)c1F)[n+]3c1c(=O)[nH]c(=O)[nH]c1[n+]2CC(O)C(O)C(O)COP(=O)(O)O",
   "targets": [
    "UNP:A2QHE5"
   ]
  },
  {
   "line": 8515,
   "comp_id": "A1CIB",
   "ikey_connectivity": "JIVPVXMEBJLZRO",
   "smiles": "NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl",
   "targets": [
    "UNP:A0A0G2KTI4",
    "UNP:P55017"
   ]
  },
  {
   "line": 2486,
   "comp_id": "3XJ",
   "ikey_connectivity": "HIKPKPMJGGGESU",
   "smiles": "O=C(O)c1ccc(C(=O)Nc2ccc(OC3OC(CO)C(O)C(O)C3O)c(Cl)c2)cc1",
   "targets": [
    "UNP:P08191"
   ]
  },
  {
   "line": 20492,
   "comp_id": "OT0",
   "ikey_connectivity": "VYYOGEHPAMZPSQ",
   "smiles": "CC1CC(Nc2ccc(Cl)cc2)(C(=O)N2CCC(CNC(=O)CCl)CC2)CC(C)O1",
   "targets": [
    "UNP:P03372",
    "UNP:P31947"
   ]
  },
  {
   "line": 194,
   "comp_id": "0CO",
   "ikey_connectivity": "QFEREDUWILIRPI",
   "smiles": "C=C1C(=CC=C2CCCC3(C)C2CCC3C2(C)CC(CC(C)(C)O)CO2)CC(O)CC1O",
   "targets": [
    "UNP:P11473"
   ]
  },
  {
   "line": 17801,
   "comp_id": "KKK",
   "ikey_connectivity": "XMAYWYJOQHXEEK",
   "smiles": "CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1",
   "targets": [
    "UNP:P39662",
    "UNP:P9WPN8"
   ]
  },
  {
   "line": 13919,
   "comp_id": "EVW",
   "ikey_connectivity": "HWVRAXQZLQFQPC",
   "smiles": "Nc1nc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2s1",
   "targets": [
    "UNP:O76290"
   ]
  },
  {
   "line": 1372,
   "comp_id": "25K",
   "ikey_connectivity": "JAEVUMCKPBRDAJ",
   "smiles": "Cc1ccc(CN(C)c2cc(C)nc3ncnn23)cc1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 14792,
   "comp_id": "G6R",
   "ikey_connectivity": "BDFWTUGFCVLPRW",
   "smiles": "CC(C)CN(CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)CC1C2COC3OCC1C3C2)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1",
   "targets": [
    "UNP:P03367"
   ]
  },
  {
   "line": 5986,
   "comp_id": "8TB",
   "ikey_connectivity": "FZILKQWAXMUHKU",
   "smiles": "CC(=O)NC(Cc1ccccc1Cl)C(=O)N1CCCC12C=CC1CCC(C(=O)N3CCC4C=CC5C(C)CC(C(=O)O)N5C(=O)C43)N1C2=O",
   "targets": [
    "UNP:Q8N8S7"
   ]
  },
  {
   "line": 1141,
   "comp_id": "1TE",
   "ikey_connectivity": "YKLAKHLDAXNBOF",
   "smiles": "CC(O)C1C(=O)N2C(C(=O)O)C(SC3CN(c4nccs4)C3)C(C)C12",
   "targets": [
    "UNP:P9WKD3"
   ]
  },
  {
   "line": 20565,
   "comp_id": "OWN",
   "ikey_connectivity": "WUQPUFRQBUEDIV",
   "smiles": "C=CC(=O)N1CCN(CC2CC2)c2cc(C(=O)OC)ccc21",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 17966,
   "comp_id": "KTD",
   "ikey_connectivity": "PKHSKYFMULMNOC",
   "smiles": "O=C(NCC(=O)c1ccccc1)Nc1ccc2nnsc2c1",
   "targets": [
    "UNP:O60678"
   ]
  },
  {
   "line": 6719,
   "comp_id": "9SJ",
   "ikey_connectivity": "BLSXDTLZOKHJGS",
   "smiles": "CC(=O)NC1C(CC(O)CO)OC(C(=O)O)C(F)C1O",
   "targets": [
    "UNP:P03472"
   ]
  },
  {
   "line": 10192,
   "comp_id": "A1JB1",
   "ikey_connectivity": "PKLJOBSFVPZDAS",
   "smiles": "COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(Cc3nnn[nH]3)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1",
   "targets": [
    "UNP:Q14145"
   ]
  },
  {
   "line": 12535,
   "comp_id": "CT5",
   "ikey_connectivity": "OWPMENVYXDJDOW",
   "smiles": "CCc1cc(-c2[nH]nc(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O",
   "targets": [
    "UNP:P02829",
    "UNP:P07900"
   ]
  },
  {
   "line": 27499,
   "comp_id": "ZI6",
   "ikey_connectivity": "ONGPJYSSZQHFBU",
   "smiles": "NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F",
   "targets": [
    "UNP:Q6GHP9"
   ]
  },
  {
   "line": 26942,
   "comp_id": "YHP",
   "ikey_connectivity": "QEHZKPQZGREGTJ",
   "smiles": "CCN1C(=O)C(NC(=O)c2cccc(C(F)(F)F)c2)C(c2ccc(F)cc2)c2c(CN)nn(-c3ccccc3)c21",
   "targets": [
    "UNP:A0A097J809",
    "UNP:Q96GG9"
   ]
  },
  {
   "line": 12670,
   "comp_id": "D0V",
   "ikey_connectivity": "DWLKRUDKKCFGMS",
   "smiles": "O=C1NC(c2ccsc2)(c2cccc(Nc3ccc(F)cc3)n2)CC(O)=C1Sc1ccccc1Cl",
   "targets": [
    "UNP:P00338"
   ]
  },
  {
   "line": 703,
   "comp_id": "179",
   "ikey_connectivity": "WDRIXCWRSIXUDT",
   "smiles": "O=C(Nc1ccc2ccccc2c1)C(=O)NC1OC(CO)C(O)C(O)C1O",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 10113,
   "comp_id": "A1IXX",
   "ikey_connectivity": "XGNCGYKTOSZKDU",
   "smiles": "CN(C)C1(CNC(=O)c2ccc3c(ccn3C(=O)c3ccccc3)c2)CCOCC1",
   "targets": [
    "UNP:Q9Y345"
   ]
  },
  {
   "line": 5066,
   "comp_id": "7K4",
   "ikey_connectivity": "WMVNTKWNIVSPIC",
   "smiles": "CC1(c2ccccc2)CC(=O)N(CCOc2ccc(F)c(C#N)c2)C1",
   "targets": [
    "UNP:Q13093"
   ]
  },
  {
   "line": 14843,
   "comp_id": "G8K",
   "ikey_connectivity": "WDMPGPZDSGODDF",
   "smiles": "COc1cc(C(=O)c2c[nH]c(-c3cccc4[nH]ccc34)n2)cc(OC)c1OC",
   "targets": [
    "UNP:A0A8D1UIR5",
    "UNP:A0A8V0Z8P0",
    "UNP:Q2XVP4",
    "UNP:Q9H169"
   ]
  },
  {
   "line": 23644,
   "comp_id": "TLR",
   "ikey_connectivity": "HQLCGOWZNYRHNI",
   "smiles": "COc1cc(CCNC(=O)c2nc(Cc3ccccc3C(F)(F)F)[nH]c(=O)c2O)ccn1",
   "targets": [
    "UNP:C6H0Y9"
   ]
  },
  {
   "line": 20289,
   "comp_id": "OIF",
   "ikey_connectivity": "SYEABNIGTPGICH",
   "smiles": "O=C(CS(=O)(=O)O)Nc1nc2ccccc2s1",
   "targets": [
    "UNP:P24666"
   ]
  },
  {
   "line": 19641,
   "comp_id": "NHV",
   "ikey_connectivity": "ADKWVGPRAQKVKB",
   "smiles": "OCC1C(O)C(O)C(O)c2[nH]c(CNc3ccccc3)c[n+]21",
   "targets": [
    "UNP:Q8AAK6"
   ]
  },
  {
   "line": 352,
   "comp_id": "0M6",
   "ikey_connectivity": "OXLJDYBAHYSQNA",
   "smiles": "CC(C)CC(NC(=S)Nc1ccccc1)C(=O)NC(CO)CCO",
   "targets": [
    "UNP:P97571"
   ]
  },
  {
   "line": 9126,
   "comp_id": "A1EKK",
   "ikey_connectivity": "TTYSQURQVGCMHK",
   "smiles": "CCCCCC=CC=CC(CCCCCCCC(=O)OC)OC",
   "targets": [
    "UNP:A2RT31",
    "UNP:P62873"
   ]
  },
  {
   "line": 15946,
   "comp_id": "HYG",
   "ikey_connectivity": "GRRNUXAQVGOGFE",
   "smiles": "CNC1CC(N)C(O)C(OC2OC(CO)C(O)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC23)C1O",
   "targets": [
    "UNP:A0A0D9S602",
    "UNP:A0A1L4AA68",
    "UNP:A0A2J8WY29",
    "UNP:A0A4W2DI10",
    "UNP:A0A6V7HLS0",
    "UNP:A0ABF7PIT7",
    "UNP:B3LMD0",
    "UNP:O13516",
    "UNP:P02406",
    "UNP:P02407",
    "UNP:P04449",
    "UNP:P04456",
    "UNP:P04650",
    "UNP:P05388",
    "UNP:P05737",
    "UNP:P05738",
    "UNP:P05740",
    "UNP:P05743",
    "UNP:P05744",
    "UNP:P05745",
    "UNP:P05747",
    "UNP:P05748",
    "UNP:P05749",
    "UNP:P05750",
    "UNP:P05756",
    "UNP:P06367",
    "UNP:P07280",
    "UNP:P08708",
    "UNP:P08865",
    "UNP:P0C0V8",
    "UNP:P0C0W1",
    "UNP:P0C0W9",
    "UNP:P0C2H6",
    "UNP:P0C2H8",
    "UNP:P0CH08",
    "UNP:P0CX25",
    "UNP:P0CX27",
    "UNP:P0CX29",
    "UNP:P0CX31",
    "UNP:P0CX33",
    "UNP:P0CX35",
    "UNP:P0CX37",
    "UNP:P0CX39",
    "UNP:P0CX41",
    "UNP:P0CX43",
    "UNP:P0CX45",
    "UNP:P0CX47",
    "UNP:P0CX49",
    "UNP:P0CX51",
    "UNP:P0CX55",
    "UNP:P0CX82",
    "UNP:P0CX84",
    "UNP:P0CX86",
    "UNP:P10664",
    "UNP:P13639",
    "UNP:P14120",
    "UNP:P14126",
    "UNP:P15880",
    "UNP:P17076",
    "UNP:P18077",
    "UNP:P18124",
    "UNP:P18621",
    "UNP:P23396",
    "UNP:P25398",
    "UNP:P25443",
    "UNP:P26321",
    "UNP:P26373",
    "UNP:P26784",
    "UNP:P26786",
    "UNP:P27635",
    "UNP:P32905",
    "UNP:P32969",
    "UNP:P33442",
    "UNP:P35268",
    "UNP:P35997",
    "UNP:P36105",
    "UNP:P36578",
    "UNP:P38011",
    "UNP:P38061",
    "UNP:P38701",
    "UNP:P39019",
    "UNP:P39023",
    "UNP:P39939",
    "UNP:P40429",
    "UNP:P41057",
    "UNP:P41805",
    "UNP:P42677",
    "UNP:P42766",
    "UNP:P46776",
    "UNP:P46777",
    "UNP:P46778",
    "UNP:P46779",
    "UNP:P46781",
    "UNP:P46782",
    "UNP:P46783",
    "UNP:P47914",
    "UNP:P48589",
    "UNP:P49166",
    "UNP:P49167",
    "UNP:P49207",
    "UNP:P50914",
    "UNP:P60866",
    "UNP:P61247",
    "UNP:P61254",
    "UNP:P61313",
    "UNP:P61353",
    "UNP:P61513",
    "UNP:P61927",
    "UNP:P62081",
    "UNP:P62241",
    "UNP:P62244",
    "UNP:P62249",
    "UNP:P62263",
    "UNP:P62266",
    "UNP:P62269",
    "UNP:P62273",
    "UNP:P62277",
    "UNP:P62280",
    "UNP:P62424",
    "UNP:P62701",
    "UNP:P62750",
    "UNP:P62753",
    "UNP:P62829",
    "UNP:P62841",
    "UNP:P62847",
    "UNP:P62851",
    "UNP:P62854",
    "UNP:P62857",
    "UNP:P62861",
    "UNP:P62888",
    "UNP:P62891",
    "UNP:P62899",
    "UNP:P62906",
    "UNP:P62910",
    "UNP:P62913",
    "UNP:P62917",
    "UNP:P62945",
    "UNP:P62979",
    "UNP:P62987",
    "UNP:P63173",
    "UNP:P63220",
    "UNP:P63244",
    "UNP:P83731",
    "UNP:P83881",
    "UNP:P84098",
    "UNP:P87262",
    "UNP:Q01855",
    "UNP:Q02326",
    "UNP:Q02543",
    "UNP:Q02753",
    "UNP:Q02878",
    "UNP:Q07020",
    "UNP:Q08745",
    "UNP:Q12690",
    "UNP:Q3E792",
    "UNP:Q3E7X9",
    "UNP:Q8NC51",
    "UNP:Q96L21",
    "UNP:Q9UQ80",
    "UNP:Q9Y3U8"
   ]
  },
  {
   "line": 27792,
   "comp_id": "ZZN",
   "ikey_connectivity": "AUNMZFMPIXHYCD",
   "smiles": "Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)nc2cccc(C)c2c1=O",
   "targets": [
    "UNP:O35904"
   ]
  },
  {
   "line": 8079,
   "comp_id": "A1BPK",
   "ikey_connectivity": "HYRQJBRGWDRDDU",
   "smiles": "NC(=O)C1CCCN(C(=O)Cc2cccc3c2CCC3)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 7741,
   "comp_id": "A1B68",
   "ikey_connectivity": "AYIQXZZWBXHVLD",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(C=NCCCCNC(=N)N)c1O",
   "targets": [
    "UNP:Q8ZNC4"
   ]
  },
  {
   "line": 14475,
   "comp_id": "FQF",
   "ikey_connectivity": "VGIZXGYRSPTVQF",
   "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCOCC(O)CO",
   "targets": [
    "UNP:A0A0F8R9A0"
   ]
  },
  {
   "line": 9688,
   "comp_id": "A1IC9",
   "ikey_connectivity": "ADUIAKGKEUWNAN",
   "smiles": "O=C(O)c1ccccc1C=NOCc1ccccc1C(F)(F)F",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 16361,
   "comp_id": "IL5",
   "ikey_connectivity": "CRSHTYPFKXPVRE",
   "smiles": "NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)NC2=O",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 24964,
   "comp_id": "VM8",
   "ikey_connectivity": "XLRFROIINIWWJO",
   "smiles": "CC(C)(Cc1ccccc1)c1cc2ccccc2c2nccn12",
   "targets": [
    "UNP:Q9Y4B6"
   ]
  },
  {
   "line": 20855,
   "comp_id": "PBU",
   "ikey_connectivity": "DHAFWWKSHUBGAH",
   "smiles": "CCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)OC(=O)CCC",
   "targets": [
    "UNP:P01116",
    "UNP:P42336",
    "UNP:Q8BWP5",
    "UNP:Q9QWY8"
   ]
  },
  {
   "line": 2614,
   "comp_id": "43N",
   "ikey_connectivity": "XESNVVRXJFEIMM",
   "smiles": "CCNc1cc(C(c2ccccc2)N2CCCC(n3cc(C)c(=O)[nH]c3=O)C2)cc(Oc2cccc(Cl)c2)c1C(=O)O",
   "targets": [
    "UNP:A7WYM2"
   ]
  },
  {
   "line": 4677,
   "comp_id": "725",
   "ikey_connectivity": "OMBPYCFBGGXDQG",
   "smiles": "CNc1nc2cc3c(=O)[nH]c(N)nc3c(CCC3OC(OC)C(OC)C3OC)c2[nH]1",
   "targets": [
    "UNP:P28720"
   ]
  },
  {
   "line": 16204,
   "comp_id": "ICR",
   "ikey_connectivity": "WYRPDIVLQIXBHB",
   "smiles": "N=C1C(C(=O)O)N=CN1C1OC(COP(=O)(O)O)C(O)C1O",
   "targets": [
    "UNP:Q2QJL3"
   ]
  },
  {
   "line": 25641,
   "comp_id": "WQI",
   "ikey_connectivity": "ZYFCDGWTEBSCPD",
   "smiles": "O=C(CCl)NCC1CCN(S(=O)(=O)c2ccc(I)cc2)CC1",
   "targets": [
    "UNP:P04049",
    "UNP:P31947"
   ]
  },
  {
   "line": 9994,
   "comp_id": "A1IRG",
   "ikey_connectivity": "TYVMOSTVNXQUSK",
   "smiles": "O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccc(Cl)cc23)c(OCc2cccc3c2OCO3)c1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 428,
   "comp_id": "0RI",
   "ikey_connectivity": "UXNXMBYCBRBRFD",
   "smiles": "N#Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1",
   "targets": [
    "UNP:P03952"
   ]
  },
  {
   "line": 17074,
   "comp_id": "JK4",
   "ikey_connectivity": "SGDIVHJKRFAKAS",
   "smiles": "Cc1cc(N)nc(CC2CNCC2OCCNCC(F)(F)c2cccc(F)c2F)c1",
   "targets": [
    "UNP:P29476"
   ]
  },
  {
   "line": 10608,
   "comp_id": "A1L2B",
   "ikey_connectivity": "AQVWXIRCPXPVPT",
   "smiles": "CCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OCC1OC(O)C(O)C(O)C1O",
   "targets": [
    "UNP:P29016",
    "UNP:P61769"
   ]
  },
  {
   "line": 13803,
   "comp_id": "EPB",
   "ikey_connectivity": "QXRSDHAAWVKZLJ",
   "smiles": "CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1",
   "targets": [
    "UNP:A0A8D1UIR5",
    "UNP:A0A8V0Z8P0",
    "UNP:P63042",
    "UNP:P68369",
    "UNP:Q2XVP4",
    "UNP:Q9ERD7",
    "UNP:Q9KIZ4"
   ]
  },
  {
   "line": 16349,
   "comp_id": "IKO",
   "ikey_connectivity": "HJUCVPLGWMJKKL",
   "smiles": "Cc1ncc(C)n2nc(CCc3nc(N(C)C4CC4)nn3C)nc12",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 3756,
   "comp_id": "5S6",
   "ikey_connectivity": "DNHSLHQHJBUNLI",
   "smiles": "COc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccc(C#CCO)cc2)cc1C",
   "targets": [
    "UNP:Q67PY4"
   ]
  },
  {
   "line": 17619,
   "comp_id": "KAS",
   "ikey_connectivity": "HJSPORKXLABRNX",
   "smiles": "O=C(O)c1cccc(-c2cn(CB(O)OP(=O)(O)O)nn2)c1",
   "targets": [
    "UNP:Q6DRA1"
   ]
  },
  {
   "line": 3618,
   "comp_id": "5KI",
   "ikey_connectivity": "MVFCDTMJUYOERT",
   "smiles": "COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(C)=O)C1(C)OC1C(C)C1C=C(NC(=O)O1)C(OC)C=CC=C(C)C2",
   "targets": [
    "UNP:A0A8V0Z8P0",
    "UNP:P63043",
    "UNP:P81947",
    "UNP:Q6B856"
   ]
  },
  {
   "line": 11856,
   "comp_id": "BO9",
   "ikey_connectivity": "OTTYWVUOPWENAJ",
   "smiles": "CC(NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)O)B(O)O",
   "targets": [
    "UNP:P0AEB2"
   ]
  },
  {
   "line": 26561,
   "comp_id": "Y18",
   "ikey_connectivity": "UERBETVZEWZRSL",
   "smiles": "CN1CC(Cn2c3c(c4ccccc42)C(=O)NCC3)CC1=O",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 18123,
   "comp_id": "L18",
   "ikey_connectivity": "UEEAJOUBQAEABH",
   "smiles": "CC(CC(C)c1ccccc1)CC1CCCCN1C",
   "targets": [
    "UNP:P9WQ77"
   ]
  },
  {
   "line": 11082,
   "comp_id": "ADP",
   "ikey_connectivity": "XTWYTFMLZFPYCI",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O",
   "targets": [
    "UNP:A0A014M399",
    "UNP:A0A024B7W1",
    "UNP:A0A024FSR7",
    "UNP:A0A024FV86",
    "UNP:A0A059VAZ3",
    "UNP:A0A077EJ65",
    "UNP:A0A085R4L6",
    "UNP:A0A086HZU3",
    "UNP:A0A087WNH4",
    "UNP:A0A087X2I1",
    "UNP:A0A089QYG8",
    "UNP:A0A089XIW4",
    "UNP:A0A0B0SD75",
    "UNP:A0A0B4LHJ5",
    "UNP:A0A0D5YC82",
    "UNP:A0A0F0G8G2",
    "UNP:A0A0F7J8S0",
    "UNP:A0A0F7R2R9",
    "UNP:A0A0F7R6G7",
    "UNP:A0A0G2K8Z9",
    "UNP:A0A0G2K9J2",
    "UNP:A0A0H2UL04",
    "UNP:A0A0H2URF8",
    "UNP:A0A0H2VC26",
    "UNP:A0A0H3AER7",
    "UNP:A0A0H3AIG7",
    "UNP:A0A0H3C7V4",
    "UNP:A0A0H3CDS2",
    "UNP:A0A0H3FPU4",
    "UNP:A0A0H3FR62",
    "UNP:A0A0H3FXS4",
    "UNP:A0A0H3GJF7",
    "UNP:A0A0H3H3L1",
    "UNP:A0A0H3JHT3",
    "UNP:A0A0H3JTP0",
    "UNP:A0A0H3KFM7",
    "UNP:A0A0H3LV04",
    "UNP:A0A0H6I1B7",
    "UNP:A0A0K1TP21",
    "UNP:A0A0M3VGF9",
    "UNP:A0A0M4TPJ7",
    "UNP:A0A0M4U1P9",
    "UNP:A0A0M5MQR7",
    "UNP:A0A0P0XII1",
    "UNP:A0A0P8H7C5",
    "UNP:A0A0S3ANR1",
    "UNP:A0A101DF63",
    "UNP:A0A117IMA6",
    "UNP:A0A125YG37",
    "UNP:A0A125YJP2",
    "UNP:A0A125YJV2",
    "UNP:A0A125YKF7",
    "UNP:A0A125YKF8",
    "UNP:A0A125YL08",
    "UNP:A0A125YLH9",
    "UNP:A0A125YLN4",
    "UNP:A0A125YLR0",
    "UNP:A0A125YMA7",
    "UNP:A0A125YPQ4",
    "UNP:A0A125YPS4",
    "UNP:A0A125YRE2",
    "UNP:A0A125YRP0",
    "UNP:A0A125YSI9",
    "UNP:A0A125YTD7",
    "UNP:A0A125YUH0",
    "UNP:A0A125YUZ2",
    "UNP:A0A125YV76",
    "UNP:A0A125YYY4",
    "UNP:A0A137PC97",
    "UNP:A0A140T871",
    "UNP:A0A140UH76",
    "UNP:A0A146CJG7",
    "UNP:A0A150MJ77",
    "UNP:A0A161CM65",
    "UNP:A0A166Q2C7",
    "UNP:A0A191TB88",
    "UNP:A0A192B6J5",
    "UNP:A0A1D8PKA4",
    "UNP:A0A1G4I9Z4",
    "UNP:A0A1H5TIV7",
    "UNP:A0A1H5TKL0",
    "UNP:A0A1H5YRX6",
    "UNP:A0A1H5YS83",
    "UNP:A0A1H5YSL0",
    "UNP:A0A1H5YT37",
    "UNP:A0A1H7TQR5",
    "UNP:A0A1L8FQA5",
    "UNP:A0A1N1NVQ2",
    "UNP:A0A1S4K3K8",
    "UNP:A0A1U7R319",
    "UNP:A0A286ZJL5",
    "UNP:A0A286ZK88",
    "UNP:A0A286ZNN4",
    "UNP:A0A286ZPR8",
    "UNP:A0A286ZUN9",
    "UNP:A0A286ZYL7",
    "UNP:A0A287AAR5",
    "UNP:A0A287ADR4",
    "UNP:A0A287AE88",
    "UNP:A0A287AEB7",
    "UNP:A0A287AJK1",
    "UNP:A0A287AXI2",
    "UNP:A0A287AZ37",
    "UNP:A0A287AZF9",
    "UNP:A0A287B8J2",
    "UNP:A0A287B9W3",
    "UNP:A0A287BAW0",
    "UNP:A0A287BDC0",
    "UNP:A0A287BEK4",
    "UNP:A0A287BG40",
    "UNP:A0A287BJ57",
    "UNP:A0A287BMW6",
    "UNP:A0A2C9F3A3",
    "UNP:A0A2K3CP55",
    "UNP:A0A2K3CQT7",
    "UNP:A0A2K3CU78",
    "UNP:A0A2K3CXT1",
    "UNP:A0A2K3D425",
    "UNP:A0A2K3D452",
    "UNP:A0A2K3D8V0",
    "UNP:A0A2K3D8Z6",
    "UNP:A0A2K3DDV4",
    "UNP:A0A2K3DEG1",
    "UNP:A0A2K3DKW3",
    "UNP:A0A2K3DLJ2",
    "UNP:A0A2K3DN67",
    "UNP:A0A2K3DQM4",
    "UNP:A0A2K3DQN7",
    "UNP:A0A2K3DUG8",
    "UNP:A0A2K3DV98",
    "UNP:A0A2K3DWV9",
    "UNP:A0A2K3E6E5",
    "UNP:A0A2K3E6N2",
    "UNP:A0A2R8Y811",
    "UNP:A0A2U3DNX3",
    "UNP:A0A2U8JGP4",
    "UNP:A0A2X0THW2",
    "UNP:A0A2X0TKI6",
    "UNP:A0A2Z6DVV7",
    "UNP:A0A2Z6DW38",
    "UNP:A0A310TTQ1",
    "UNP:A0A369R1N0",
    "UNP:A0A3C0TX30",
    "UNP:A0A3E0UTA6",
    "UNP:A0A3G4ZNY6",
    "UNP:A0A3G6WWB7",
    "UNP:A0A3L6KRX7",
    "UNP:A0A3L6KS29",
    "UNP:A0A3L6KS48",
    "UNP:A0A3L6KTB1",
    "UNP:A0A3L6KTC7",
    "UNP:A0A3L6KTI0",
    "UNP:A0A3L6KTM7",
    "UNP:A0A3L6KV21",
    "UNP:A0A3L6KW11",
    "UNP:A0A3L6KWY9",
    "UNP:A0A3L6KX00",
    "UNP:A0A3L6KX50",
    "UNP:A0A3L6KX69",
    "UNP:A0A3L6KXE9",
    "UNP:A0A3L6KXN2",
    "UNP:A0A3L6KZH2",
    "UNP:A0A3L6L070",
    "UNP:A0A3L6L0D5",
    "UNP:A0A3L6L166",
    "UNP:A0A3L6L1Y4",
    "UNP:A0A3L6L241",
    "UNP:A0A3L6L276",
    "UNP:A0A3L6L2V1",
    "UNP:A0A3L6L3K4",
    "UNP:A0A3L6L3K9",
    "UNP:A0A3L6L456",
    "UNP:A0A3L6L4A5",
    "UNP:A0A3L6L4Z4",
    "UNP:A0A3L6L538",
    "UNP:A0A3L6L637",
    "UNP:A0A3L6L6A9",
    "UNP:A0A3L6L6S3",
    "UNP:A0A3L6L758",
    "UNP:A0A3L6L766",
    "UNP:A0A3L6L7H5",
    "UNP:A0A3L6L7X4",
    "UNP:A0A3L6L8W0",
    "UNP:A0A3L6L8Y1",
    "UNP:A0A3L6LA68",
    "UNP:A0A3L6LA84",
    "UNP:A0A3L6LAE5",
    "UNP:A0A3L6LAG5",
    "UNP:A0A3L6LB16",
    "UNP:A0A3L6LCE5",
    "UNP:A0A3L6LD66",
    "UNP:A0A3L6LD92",
    "UNP:A0A3L6LDF0",
    "UNP:A0A3L6LE16",
    "UNP:A0A3L6LEQ0",
    "UNP:A0A3Q0KJ78",
    "UNP:A0A3Q7IF17",
    "UNP:A0A3R0U328",
    "UNP:A0A3S7X0F5",
    "UNP:A0A3S7X3C0",
    "UNP:A0A452CSQ7",
    "UNP:A0A480I0V8",
    "UNP:A0A480J001",
    "UNP:A0A480JRW3",
    "UNP:A0A480JYS1",
    "UNP:A0A480KM09",
    "UNP:A0A480L444",
    "UNP:A0A480L8C4",
    "UNP:A0A480VKQ8",
    "UNP:A0A481D232",
    "UNP:A0A4D6K5Y8",
    "UNP:A0A4P1LXE0",
    "UNP:A0A4U7IGH6",
    "UNP:A0A4V3QHV5",
    "UNP:A0A4X1SN37",
    "UNP:A0A4X1SZP7",
    "UNP:A0A4X1T0A8",
    "UNP:A0A4X1T6M0",
    "UNP:A0A4X1T8I3",
    "UNP:A0A4X1T8J9",
    "UNP:A0A4X1TA12",
    "UNP:A0A4X1TB62",
    "UNP:A0A4X1TE42",
    "UNP:A0A4X1TFI3",
    "UNP:A0A4X1TG97",
    "UNP:A0A4X1TQQ5",
    "UNP:A0A4X1TRS6",
    "UNP:A0A4X1TWD8",
    "UNP:A0A4X1TXH1",
    "UNP:A0A4X1U2M7",
    "UNP:A0A4X1U3K4",
    "UNP:A0A4X1U843",
    "UNP:A0A4X1UDZ5",
    "UNP:A0A4X1UIV8",
    "UNP:A0A4X1UJS8",
    "UNP:A0A4X1ULW2",
    "UNP:A0A4X1UNI7",
    "UNP:A0A4X1UYT9",
    "UNP:A0A4X1UZN2",
    "UNP:A0A4X1V1H9",
    "UNP:A0A4X1V766",
    "UNP:A0A4X1VD84",
    "UNP:A0A4X1VEK9",
    "UNP:A0A4X1VH50",
    "UNP:A0A4X1VKG7",
    "UNP:A0A4X1VLA2",
    "UNP:A0A4X1VM56",
    "UNP:A0A4X1VPE5",
    "UNP:A0A4X1VPG4",
    "UNP:A0A4X1VQ42",
    "UNP:A0A4X1VTU3",
    "UNP:A0A4X1VUN6",
    "UNP:A0A4X1VYV0",
    "UNP:A0A4X1W9K3",
    "UNP:A0A512NGJ7",
    "UNP:A0A564JVI2",
    "UNP:A0A5B9BGY8",
    "UNP:A0A5B9BIX9",
    "UNP:A0A5C0XP52",
    "UNP:A0A5C9SS28",
    "UNP:A0A5F1WGW3",
    "UNP:A0A5G2QD80",
    "UNP:A0A5G2QW32",
    "UNP:A0A5H1ZR73",
    "UNP:A0A5H1ZR74",
    "UNP:A0A5H1ZR95",
    "UNP:A0A5H7DAD8",
    "UNP:A0A5K1V6Z1",
    "UNP:A0A5P8YJ65",
    "UNP:A0A5R8LS59",
    "UNP:A0A640K740",
    "UNP:A0A640K754",
    "UNP:A0A640K801",
    "UNP:A0A640KB40",
    "UNP:A0A640KB76",
    "UNP:A0A640KD47",
    "UNP:A0A640KDH5",
    "UNP:A0A640KDJ4",
    "UNP:A0A640KDU3",
    "UNP:A0A640KDV9",
    "UNP:A0A640KE26",
    "UNP:A0A640KFR7",
    "UNP:A0A640KGK2",
    "UNP:A0A640KHR4",
    "UNP:A0A640KHX2",
    "UNP:A0A640KI01",
    "UNP:A0A640KIZ1",
    "UNP:A0A640KJ83",
    "UNP:A0A640KKK2",
    "UNP:A0A640KKX2",
    "UNP:A0A640KLK2",
    "UNP:A0A640KLY5",
    "UNP:A0A640KMM3",
    "UNP:A0A640KNR9",
    "UNP:A0A640KNU1",
    "UNP:A0A640KP41",
    "UNP:A0A640KPK5",
    "UNP:A0A640KQ84",
    "UNP:A0A640KQL9",
    "UNP:A0A640KQU2",
    "UNP:A0A640KR16",
    "UNP:A0A640KR67",
    "UNP:A0A640KRB5",
    "UNP:A0A640KRB9",
    "UNP:A0A640KRN7",
    "UNP:A0A640KRR3",
    "UNP:A0A640KSY0",
    "UNP:A0A640KTJ2",
    "UNP:A0A640KTK0",
    "UNP:A0A640KUD7",
    "UNP:A0A640KV53",
    "UNP:A0A640KVV3",
    "UNP:A0A640KWH7",
    "UNP:A0A640KWM9",
    "UNP:A0A640KWX5",
    "UNP:A0A640KX85",
    "UNP:A0A640KXH6",
    "UNP:A0A640KZZ6",
    "UNP:A0A678ZHF8",
    "UNP:A0A6A5PTP1",
    "UNP:A0A6A5PUY8",
    "UNP:A0A6A5PX40",
    "UNP:A0A6A5PX46",
    "UNP:A0A6A5PXT5",
    "UNP:A0A6A5PYF6",
    "UNP:A0A6A5Q1S9",
    "UNP:A0A6A5Q1W2",
    "UNP:A0A6A5Q203",
    "UNP:A0A6A5Q493",
    "UNP:A0A6A5Q4L9",
    "UNP:A0A6A5Q4N0",
    "UNP:A0A6A5Q585",
    "UNP:A0A6A5Q7Y8",
    "UNP:A0A6D0I2P0",
    "UNP:A0A6D2W465",
    "UNP:A0A6G5RIJ6",
    "UNP:A0A6L7H7X4",
    "UNP:A0A6L8P0X7",
    "UNP:A0A6L8PZ12",
    "UNP:A0A6N9S4L0",
    "UNP:A0A6P1EFQ2",
    "UNP:A0A7B5N0T7",
    "UNP:A0A7H0DN89",
    "UNP:A0A7J5NYJ4",
    "UNP:A0A7M4DUC2",
    "UNP:A0A7Y1Q2L1",
    "UNP:A0A7Z7HU23",
    "UNP:A0A7Z7YE94",
    "UNP:A0A7Z9C271",
    "UNP:A0A811MS43",
    "UNP:A0A822U1Y5",
    "UNP:A0A853PXE5",
    "UNP:A0A8D0MI69",
    "UNP:A0A8D0PK14",
    "UNP:A0A8D0R7A9",
    "UNP:A0A8D0SHY6",
    "UNP:A0A8D0UWW0",
    "UNP:A0A8D0X6E8",
    "UNP:A0A8D0YCC0",
    "UNP:A0A8D1DPV6",
    "UNP:A0A8D1EYI7",
    "UNP:A0A8D1FAG1",
    "UNP:A0A8D1FFA1",
    "UNP:A0A8D1H0W9",
    "UNP:A0A8D1IJ52",
    "UNP:A0A8D1JI21",
    "UNP:A0A8D1JU29",
    "UNP:A0A8D1K2Z9",
    "UNP:A0A8D1KH26",
    "UNP:A0A8D1L782",
    "UNP:A0A8D1NRT6",
    "UNP:A0A8D1PMN0",
    "UNP:A0A8D1Q0D0",
    "UNP:A0A8D1R4Y3",
    "UNP:A0A8D1SNA2",
    "UNP:A0A8D1TL60",
    "UNP:A0A8D1TS79",
    "UNP:A0A8D1UIR5",
    "UNP:A0A8D1WGE8",
    "UNP:A0A8D1XYK3",
    "UNP:A0A8D1YQG6",
    "UNP:A0A8D2CGH8",
    "UNP:A0A8F4TCV5",
    "UNP:A0A8I3AZW2",
    "UNP:A0A8I5ZWI2",
    "UNP:A0A8J0PCL3",
    "UNP:A0A8J0U496",
    "UNP:A0A8J1LTD2",
    "UNP:A0A8V0Z8P0",
    "UNP:A0A8W4F696",
    "UNP:A0A8W4F7N8",
    "UNP:A0A8W4F811",
    "UNP:A0A8W4F9W9",
    "UNP:A0A8W4FER1",
    "UNP:A0A921F998",
    "UNP:A0A921FAL0",
    "UNP:A0A979HMQ0",
    "UNP:A0A979HMQ1",
    "UNP:A0A9P1NJI6",
    "UNP:A0A9R0HQR3",
    "UNP:A0A9R0HQY2",
    "UNP:A0A9R0HRN0",
    "UNP:A0A9R0HS13",
    "UNP:A0A9R0IRU0",
    "UNP:A0A9R0ITF4",
    "UNP:A0A9R0IXE2",
    "UNP:A0A9R0J6A8",
    "UNP:A0A9R0J9C3",
    "UNP:A0A9R0JCU5",
    "UNP:A0A9R0JDN1",
    "UNP:A0A9R0JPV7",
    "UNP:A0A9R0JZ88",
    "UNP:A0A9R0K0A4",
    "UNP:A0A9X9SUN3",
    "UNP:A0A9X9SUP5",
    "UNP:A0A9Y2YA64",
    "UNP:A0A9Y2YAC8",
    "UNP:A0AA82WPI2",
    "UNP:A0AA88H718",
    "UNP:A0AA88HBT7",
    "UNP:A0AA88HFG7",
    "UNP:A0AA88HKM7",
    "UNP:A0AA88HL63",
    "UNP:A0AA88HPA7",
    "UNP:A0AA88HW36",
    "UNP:A0AA88HW56",
    "UNP:A0AA88HWD9",
    "UNP:A0AAJ6N6A4",
    "UNP:A0AAW7FAT4",
    "UNP:A0AAX3ZKT3",
    "UNP:A0AAX7FLD9",
    "UNP:A0AB38GW94",
    "UNP:A0AB94IPG3",
    "UNP:A0AB94IPK1",
    "UNP:A0AB94IPP4",
    "UNP:A0ABF7PFV9",
    "UNP:A0ABF7PJD0",
    "UNP:A0ABF7PQ24",
    "UNP:A0ABF7PQ25",
    "UNP:A0ABF7PQ46",
    "UNP:A0ABF7PQ57",
    "UNP:A0ABM3RJK3",
    "UNP:A0AC62AEC3",
    "UNP:A0AC62AEC4",
    "UNP:A0AC62AEC5",
    "UNP:A0AC62AEC6",
    "UNP:A0ACD6B946",
    "UNP:A0ACD6B947",
    "UNP:A0ACD6B948",
    "UNP:A0ACD6BAW3",
    "UNP:A0ACI6PBF2",
    "UNP:A0ACI6PBY5",
    "UNP:A0ACI6PHJ6",
    "UNP:A0ACI6PHU6",
    "UNP:A0ACI6PV75",
    "UNP:A0ACI6Q5Y4",
    "UNP:A0ACI6QM44",
    "UNP:A0ACI6QRS9",
    "UNP:A0ACI6QS33",
    "UNP:A0ACI6RKC2",
    "UNP:A0ACI6S0Q3",
    "UNP:A0ACI6S4J5",
    "UNP:A0ACI6S697",
    "UNP:A0ACI6S7D6",
    "UNP:A0JN36",
    "UNP:A0JNT9",
    "UNP:A0LU48",
    "UNP:A0LU49",
    "UNP:A0MHA3",
    "UNP:A0PFK5",
    "UNP:A0PFK7",
    "UNP:A0QTQ5",
    "UNP:A0QTT2",
    "UNP:A0R1Z9",
    "UNP:A0R200",
    "UNP:A0R201",
    "UNP:A0R202",
    "UNP:A0R203",
    "UNP:A0R204",
    "UNP:A0R205",
    "UNP:A0R206",
    "UNP:A0ZW40",
    "UNP:A0ZW41",
    "UNP:A1B4X4",
    "UNP:A1CII2",
    "UNP:A1XQS6",
    "UNP:A1XQT4",
    "UNP:A1Z6I7",
    "UNP:A1ZAW0",
    "UNP:A3DC70",
    "UNP:A3DCU1",
    "UNP:A3DCU2",
    "UNP:A3DJ38",
    "UNP:A3KNL5",
    "UNP:A3M137",
    "UNP:A3M139",
    "UNP:A3M140",
    "UNP:A3M141",
    "UNP:A3M142",
    "UNP:A3M143",
    "UNP:A3M144",
    "UNP:A3M145",
    "UNP:A3MWN5",
    "UNP:A3MWN6",
    "UNP:A4H2J0",
    "UNP:A4IJH4",
    "UNP:A4IJK8",
    "UNP:A4IMB4",
    "UNP:A4Q9E8",
    "UNP:A4VD20",
    "UNP:A4VD75",
    "UNP:A4VDQ6",
    "UNP:A4VDV3",
    "UNP:A4VEB3",
    "UNP:A4YHC5",
    "UNP:A5J299",
    "UNP:A6T8F5",
    "UNP:A6VF31",
    "UNP:A6VF32",
    "UNP:A6VF33",
    "UNP:A6VF34",
    "UNP:A6VF35",
    "UNP:A6VF36",
    "UNP:A6VF37",
    "UNP:A6VF38",
    "UNP:A7MB62",
    "UNP:A7XNI2",
    "UNP:A7XXR1",
    "UNP:A8B3G9",
    "UNP:A8BKD1",
    "UNP:A8DYP0",
    "UNP:A8HNF2",
    "UNP:A8I439",
    "UNP:A8I9T2",
    "UNP:A8ICS9",
    "UNP:A8IDP6",
    "UNP:A8IKV8",
    "UNP:A8IUG5",
    "UNP:A8IVW2",
    "UNP:A8J666",
    "UNP:A8J870",
    "UNP:A8JB78",
    "UNP:A8JEU4",
    "UNP:A8JGM3",
    "UNP:A8JH98",
    "UNP:A8WFV1",
    "UNP:A8YPQ6",
    "UNP:A8YPQ8",
    "UNP:A9H5W5",
    "UNP:A9H5W8",
    "UNP:A9WGS3",
    "UNP:A9WGS4",
    "UNP:A9WGS5",
    "UNP:A9WGS6",
    "UNP:A9WGS7",
    "UNP:A9WGS8",
    "UNP:A9WGS9",
    "UNP:A9WGT0",
    "UNP:B0I1S0",
    "UNP:B0K022",
    "UNP:B0ZE06",
    "UNP:B1L3C9",
    "UNP:B1L7P8",
    "UNP:B1MEN7",
    "UNP:B1MLV8",
    "UNP:B1MLV9",
    "UNP:B1MLW0",
    "UNP:B1MLW1",
    "UNP:B1MLW2",
    "UNP:B1MLW3",
    "UNP:B2FT06",
    "UNP:B2GUV5",
    "UNP:B3FHP0",
    "UNP:B3LH69",
    "UNP:B3LL85",
    "UNP:B3VI55",
    "UNP:B4DVU3",
    "UNP:B4EEF2",
    "UNP:B4EKH5",
    "UNP:B5II98",
    "UNP:B5VHM3",
    "UNP:B5XST9",
    "UNP:B5XU49",
    "UNP:B5XYG3",
    "UNP:B6RCQ2",
    "UNP:B6TQ08",
    "UNP:B6VNT8",
    "UNP:B6YU74",
    "UNP:B7G933",
    "UNP:B7GUI0",
    "UNP:B7H1N2",
    "UNP:B7J5E4",
    "UNP:B7NZQ2",
    "UNP:B7NZS8",
    "UNP:B7UMA5",
    "UNP:B7UMA6",
    "UNP:B7UTD6",
    "UNP:B8ZYW1",
    "UNP:B9KWX8",
    "UNP:C1DGZ6",
    "UNP:C1DGZ8",
    "UNP:C1DI30",
    "UNP:C1DK95",
    "UNP:C1EBN1",
    "UNP:C4IX13",
    "UNP:C4LVZ4",
    "UNP:C4YKK8",
    "UNP:C5AX46",
    "UNP:C7F6X5",
    "UNP:C7GVQ9",
    "UNP:C9ZJA0",
    "UNP:C9ZJX4",
    "UNP:C9ZK52",
    "UNP:C9ZLR9",
    "UNP:C9ZLT7",
    "UNP:C9ZP98",
    "UNP:C9ZQF0",
    "UNP:C9ZQR6",
    "UNP:C9ZS56",
    "UNP:C9ZSQ8",
    "UNP:C9ZU82",
    "UNP:D0A4T0",
    "UNP:D0A5R7",
    "UNP:D0A5V6",
    "UNP:D0A7A5",
    "UNP:D0A9G9",
    "UNP:D0G6S1",
    "UNP:D0VWX4",
    "UNP:D0VWY9",
    "UNP:D0VWZ0",
    "UNP:D2K4Q9",
    "UNP:D2Z030",
    "UNP:D3DJ42",
    "UNP:D3KVM3",
    "UNP:D3TI84",
    "UNP:D3ZIM6",
    "UNP:D4A133",
    "UNP:D4P3R6",
    "UNP:D4P3R7",
    "UNP:D5ANJ6",
    "UNP:D5ANJ7",
    "UNP:D5ANJ8",
    "UNP:D5ANJ9",
    "UNP:D5VUA1",
    "UNP:D5X329",
    "UNP:D6CQJ8",
    "UNP:D7NIZ2",
    "UNP:D7P6B9",
    "UNP:D7P7X5",
    "UNP:D7P7X6",
    "UNP:D7P897",
    "UNP:D8IYL4",
    "UNP:D8V7I1",
    "UNP:D8V7I2",
    "UNP:D8V7I7",
    "UNP:D9PY12",
    "UNP:E0W1I1",
    "UNP:E5BBQ0",
    "UNP:E7ETK0",
    "UNP:E8MF12",
    "UNP:E8SW61",
    "UNP:E8X8J1",
    "UNP:E9ADQ2",
    "UNP:E9Q555",
    "UNP:F1LRV9",
    "UNP:F1MWD3",
    "UNP:F1Q9X9",
    "UNP:F1RCB6",
    "UNP:F1RGE3",
    "UNP:F1RKE4",
    "UNP:F1RMC1",
    "UNP:F1RNZ1",
    "UNP:F1RPD2",
    "UNP:F1RQI7",
    "UNP:F1RWL7",
    "UNP:F1S031",
    "UNP:F1S1A8",
    "UNP:F1S3W0",
    "UNP:F1SAK7",
    "UNP:F1SCH1",
    "UNP:F1SDI2",
    "UNP:F1SEC0",
    "UNP:F1SGC6",
    "UNP:F1SIS9",
    "UNP:F1SJ34",
    "UNP:F1SJP6",
    "UNP:F1SL07",
    "UNP:F1SLR1",
    "UNP:F1SQP4",
    "UNP:F1SV23",
    "UNP:F2YGR7",
    "UNP:F2Z5G5",
    "UNP:F4SY71",
    "UNP:F9UM74",
    "UNP:G0RXW1",
    "UNP:G0RXZ3",
    "UNP:G0RY01",
    "UNP:G0RY17",
    "UNP:G0RY43",
    "UNP:G0RY45",
    "UNP:G0RY84",
    "UNP:G0RY94",
    "UNP:G0RYC2",
    "UNP:G0RYF6",
    "UNP:G0RYG4",
    "UNP:G0RYI5",
    "UNP:G0RYN3",
    "UNP:G0RYN9",
    "UNP:G0RYU9",
    "UNP:G0RYX2",
    "UNP:G0RZ88",
    "UNP:G0RZ99",
    "UNP:G0RZE6",
    "UNP:G0RZE9",
    "UNP:G0RZG1",
    "UNP:G0RZH0",
    "UNP:G0RZL4",
    "UNP:G0RZL9",
    "UNP:G0RZM9",
    "UNP:G0S081",
    "UNP:G0S0B1",
    "UNP:G0S0D6",
    "UNP:G0S0D7",
    "UNP:G0S0E5",
    "UNP:G0S0F9",
    "UNP:G0S0I6",
    "UNP:G0S0Z3",
    "UNP:G0S0Z4",
    "UNP:G0S101",
    "UNP:G0S145",
    "UNP:G0S163",
    "UNP:G0S1A6",
    "UNP:G0S1H0",
    "UNP:G0S1R0",
    "UNP:G0S1Z0",
    "UNP:G0S273",
    "UNP:G0S2U4",
    "UNP:G0S385",
    "UNP:G0S387",
    "UNP:G0S3T2",
    "UNP:G0S3V7",
    "UNP:G0S435",
    "UNP:G0S445",
    "UNP:G0S497",
    "UNP:G0S4E3",
    "UNP:G0S4H3",
    "UNP:G0S4P8",
    "UNP:G0S4S8",
    "UNP:G0S4Z4",
    "UNP:G0S4Z9",
    "UNP:G0S507",
    "UNP:G0S589",
    "UNP:G0S590",
    "UNP:G0S5F1",
    "UNP:G0S5J4",
    "UNP:G0S5L0",
    "UNP:G0S5L1",
    "UNP:G0S5R3",
    "UNP:G0S612",
    "UNP:G0S616",
    "UNP:G0S647",
    "UNP:G0S654",
    "UNP:G0S683",
    "UNP:G0S6B0",
    "UNP:G0S6C0",
    "UNP:G0S6J7",
    "UNP:G0S6V4",
    "UNP:G0S7E9",
    "UNP:G0S7T8",
    "UNP:G0S7X0",
    "UNP:G0S7Z2",
    "UNP:G0S832",
    "UNP:G0S872",
    "UNP:G0S882",
    "UNP:G0S8C4",
    "UNP:G0S8F1",
    "UNP:G0S902",
    "UNP:G0S992",
    "UNP:G0S9B5",
    "UNP:G0S9I7",
    "UNP:G0S9M9",
    "UNP:G0S9T3",
    "UNP:G0SAJ6",
    "UNP:G0SAJ9",
    "UNP:G0SAL6",
    "UNP:G0SAY9",
    "UNP:G0SBN1",
    "UNP:G0SBN9",
    "UNP:G0SBR7",
    "UNP:G0SBW4",
    "UNP:G0SCE2",
    "UNP:G0SCK6",
    "UNP:G0SCL3",
    "UNP:G0SCP3",
    "UNP:G0SCS8",
    "UNP:G0SCT7",
    "UNP:G0SD05",
    "UNP:G0SD68",
    "UNP:G0SDL4",
    "UNP:G0SDS8",
    "UNP:G0SDW0",
    "UNP:G0SE90",
    "UNP:G0SEG4",
    "UNP:G0SEI0",
    "UNP:G0SEI5",
    "UNP:G0SEW3",
    "UNP:G0SEX4",
    "UNP:G0SEZ9",
    "UNP:G0SF00",
    "UNP:G0SF32",
    "UNP:G0SF93",
    "UNP:G0SFB5",
    "UNP:G0SFC3",
    "UNP:G0SFL0",
    "UNP:G0SFL1",
    "UNP:G0SFN0",
    "UNP:G0SFN3",
    "UNP:G0SG51",
    "UNP:G0SG89",
    "UNP:G0SG95",
    "UNP:G0SGC2",
    "UNP:G0SGD8",
    "UNP:G0SGH8",
    "UNP:G0SGJ0",
    "UNP:G0SGM0",
    "UNP:G0SGY1",
    "UNP:G0SGY2",
    "UNP:G0SH61",
    "UNP:G0SHD8",
    "UNP:G0SHI0",
    "UNP:G0SHI1",
    "UNP:G0SHJ6",
    "UNP:G0SHK0",
    "UNP:G0SHP3",
    "UNP:G0SHQ0",
    "UNP:G0SHX6",
    "UNP:G0SI44",
    "UNP:G0YYQ5",
    "UNP:G1SE76",
    "UNP:G1SF08",
    "UNP:G1SFR8",
    "UNP:G1SG72",
    "UNP:G1SGR6",
    "UNP:G1SGX4",
    "UNP:G1SHG0",
    "UNP:G1SHQ2",
    "UNP:G1SIT5",
    "UNP:G1SIZ2",
    "UNP:G1SJB4",
    "UNP:G1SK22",
    "UNP:G1SMR7",
    "UNP:G1SNY0",
    "UNP:G1SP51",
    "UNP:G1SQH0",
    "UNP:G1SS70",
    "UNP:G1STW0",
    "UNP:G1SVB0",
    "UNP:G1SVW5",
    "UNP:G1SWI6",
    "UNP:G1SY53",
    "UNP:G1SYU7",
    "UNP:G1SZ12",
    "UNP:G1SZ47",
    "UNP:G1T040",
    "UNP:G1T0C1",
    "UNP:G1T1F0",
    "UNP:G1T3D8",
    "UNP:G1T469",
    "UNP:G1T6D1",
    "UNP:G1T8A2",
    "UNP:G1TDB3",
    "UNP:G1TFM5",
    "UNP:G1TG04",
    "UNP:G1TG89",
    "UNP:G1TIB4",
    "UNP:G1TJW1",
    "UNP:G1TK17",
    "UNP:G1TL06",
    "UNP:G1TLD5",
    "UNP:G1TM55",
    "UNP:G1TM82",
    "UNP:G1TN62",
    "UNP:G1TNM3",
    "UNP:G1TPG3",
    "UNP:G1TPV3",
    "UNP:G1TRM4",
    "UNP:G1TT27",
    "UNP:G1TTQ5",
    "UNP:G1TU13",
    "UNP:G1TUB8",
    "UNP:G1TUN8",
    "UNP:G1TUT9",
    "UNP:G1TXF6",
    "UNP:G1TXG5",
    "UNP:G1TZ76",
    "UNP:G1U0Q2",
    "UNP:G1U6N2",
    "UNP:G1U7L1",
    "UNP:G1U7M4",
    "UNP:G2QPI5",
    "UNP:G3FFN6",
    "UNP:G3HK48",
    "UNP:G3I8R9",
    "UNP:G3XCV0",
    "UNP:G3XD28",
    "UNP:G4NSH1",
    "UNP:G5E814",
    "UNP:G5EDI8",
    "UNP:G7CBF5",
    "UNP:G7CBF6",
    "UNP:G7CGT2",
    "UNP:G7CMG5",
    "UNP:G8HBC1",
    "UNP:G8IFA6",
    "UNP:H3BM14",
    "UNP:H7C694",
    "UNP:H8PGG3",
    "UNP:H9XP47",
    "UNP:I1ZAZ3",
    "UNP:I3L5B0",
    "UNP:I3LCB2",
    "UNP:I3LCH3",
    "UNP:I3LDC3",
    "UNP:I3LGM4",
    "UNP:I3LGP4",
    "UNP:I3LHK5",
    "UNP:I3LRR4",
    "UNP:I3LS66",
    "UNP:I3LSI7",
    "UNP:I3R0V8",
    "UNP:I3R0V9",
    "UNP:I3R0W1",
    "UNP:I3R1S5",
    "UNP:I3R1Z8",
    "UNP:I3R290",
    "UNP:I3R2C4",
    "UNP:I3R7N8",
    "UNP:I3R7P1",
    "UNP:I3R7P2",
    "UNP:I3R7P3",
    "UNP:I3R7P8",
    "UNP:I3R7P9",
    "UNP:I3R7Q2",
    "UNP:I3R7Q4",
    "UNP:I3R7Q6",
    "UNP:I3R7Q7",
    "UNP:I3R7Q8",
    "UNP:I3R7Q9",
    "UNP:I3R849",
    "UNP:I3R865",
    "UNP:I3R867",
    "UNP:I3R877",
    "UNP:I3R8A4",
    "UNP:I3R8A5",
    "UNP:I6V0C7",
    "UNP:I6YEU0",
    "UNP:I6ZQR7",
    "UNP:I7LSX6",
    "UNP:I7LT42",
    "UNP:I7LT77",
    "UNP:I7LTF1",
    "UNP:I7LTZ4",
    "UNP:I7LUQ4",
    "UNP:I7LVK6",
    "UNP:I7LVQ8",
    "UNP:I7LVX0",
    "UNP:I7LX66",
    "UNP:I7LY65",
    "UNP:I7LZE5",
    "UNP:I7LZV1",
    "UNP:I7LZW2",
    "UNP:I7LZX8",
    "UNP:I7M008",
    "UNP:I7M0G0",
    "UNP:I7M1N8",
    "UNP:I7M1Q4",
    "UNP:I7M2U4",
    "UNP:I7M2Y3",
    "UNP:I7M3P9",
    "UNP:I7M403",
    "UNP:I7M484",
    "UNP:I7M6S0",
    "UNP:I7M7B9",
    "UNP:I7M7C0",
    "UNP:I7M855",
    "UNP:I7M8P0",
    "UNP:I7M8Q3",
    "UNP:I7M8Q7",
    "UNP:I7M8Y9",
    "UNP:I7M980",
    "UNP:I7M9B3",
    "UNP:I7M9E7",
    "UNP:I7M9J2",
    "UNP:I7MA77",
    "UNP:I7MAF0",
    "UNP:I7MCQ6",
    "UNP:I7MCZ0",
    "UNP:I7MD12",
    "UNP:I7MD70",
    "UNP:I7MDW5",
    "UNP:I7MEP0",
    "UNP:I7MEX7",
    "UNP:I7MFL6",
    "UNP:I7MFV5",
    "UNP:I7MG29",
    "UNP:I7MGF9",
    "UNP:I7MGU2",
    "UNP:I7MHB1",
    "UNP:I7MI60",
    "UNP:I7MIC7",
    "UNP:I7MIE0",
    "UNP:I7MIJ7",
    "UNP:I7MIK1",
    "UNP:I7MIM0",
    "UNP:I7MJ25",
    "UNP:I7MJ84",
    "UNP:I7MK02",
    "UNP:I7MK61",
    "UNP:I7MKT6",
    "UNP:I7MLH2",
    "UNP:I7MLU7",
    "UNP:I7MM45",
    "UNP:I7MMF4",
    "UNP:I7MMI7",
    "UNP:I7MMW3",
    "UNP:J9VMZ3",
    "UNP:J9VQ51",
    "UNP:J9VQ84",
    "UNP:J9ZFA3",
    "UNP:K0BFA4",
    "UNP:K0J903",
    "UNP:K7GLT8",
    "UNP:K7GR43",
    "UNP:K7GSE5",
    "UNP:K7NTP5",
    "UNP:K7RJ88",
    "UNP:K9IWA3",
    "UNP:K9J4U3",
    "UNP:L0N7N1",
    "UNP:L0SQ15",
    "UNP:L7N1W9",
    "UNP:L8EXH9",
    "UNP:M0INN0",
    "UNP:M1CSC4",
    "UNP:M3TP73",
    "UNP:M3WPI7",
    "UNP:M4B6G6",
    "UNP:M9SEQ1",
    "UNP:M9XB82",
    "UNP:O00168",
    "UNP:O00170",
    "UNP:O00231",
    "UNP:O00232",
    "UNP:O00303",
    "UNP:O00311",
    "UNP:O00399",
    "UNP:O00418",
    "UNP:O00487",
    "UNP:O00541",
    "UNP:O00571",
    "UNP:O01378",
    "UNP:O02696",
    "UNP:O02697",
    "UNP:O05207",
    "UNP:O05318",
    "UNP:O05510",
    "UNP:O05515",
    "UNP:O06916",
    "UNP:O06961",
    "UNP:O06980",
    "UNP:O06981",
    "UNP:O08808",
    "UNP:O08915",
    "UNP:O09111",
    "UNP:O13516",
    "UNP:O13615",
    "UNP:O14011",
    "UNP:O14036",
    "UNP:O14114",
    "UNP:O14187",
    "UNP:O14241",
    "UNP:O14646",
    "UNP:O14678",
    "UNP:O14727",
    "UNP:O14775",
    "UNP:O14818",
    "UNP:O14874",
    "UNP:O14965",
    "UNP:O15066",
    "UNP:O15067",
    "UNP:O15143",
    "UNP:O15144",
    "UNP:O15145",
    "UNP:O15169",
    "UNP:O15205",
    "UNP:O15212",
    "UNP:O15226",
    "UNP:O15234",
    "UNP:O15315",
    "UNP:O15342",
    "UNP:O15371",
    "UNP:O15372",
    "UNP:O15381",
    "UNP:O15514",
    "UNP:O15533",
    "UNP:O15992",
    "UNP:O22476",
    "UNP:O23629",
    "UNP:O24872",
    "UNP:O26153",
    "UNP:O27555",
    "UNP:O28471",
    "UNP:O28524",
    "UNP:O28527",
    "UNP:O28751",
    "UNP:O29777",
    "UNP:O30245",
    "UNP:O31663",
    "UNP:O32080",
    "UNP:O32081",
    "UNP:O32726",
    "UNP:O32727",
    "UNP:O33839",
    "UNP:O34392",
    "UNP:O34627",
    "UNP:O34757",
    "UNP:O34797",
    "UNP:O35005",
    "UNP:O35683",
    "UNP:O42649",
    "UNP:O42661",
    "UNP:O43071",
    "UNP:O43143",
    "UNP:O43156",
    "UNP:O43237",
    "UNP:O43242",
    "UNP:O43252",
    "UNP:O43257",
    "UNP:O43314",
    "UNP:O43396",
    "UNP:O43502",
    "UNP:O43520",
    "UNP:O43542",
    "UNP:O43543",
    "UNP:O43660",
    "UNP:O43683",
    "UNP:O43741",
    "UNP:O43913",
    "UNP:O43929",
    "UNP:O46563",
    "UNP:O49923",
    "UNP:O51419",
    "UNP:O51934",
    "UNP:O52947",
    "UNP:O53174",
    "UNP:O53343",
    "UNP:O53871",
    "UNP:O53872",
    "UNP:O54715",
    "UNP:O57728",
    "UNP:O57883",
    "UNP:O57925",
    "UNP:O57940",
    "UNP:O57978",
    "UNP:O58056",
    "UNP:O58346",
    "UNP:O58429",
    "UNP:O58552",
    "UNP:O59734",
    "UNP:O59800",
    "UNP:O60216",
    "UNP:O60264",
    "UNP:O60306",
    "UNP:O60318",
    "UNP:O60508",
    "UNP:O60701",
    "UNP:O60925",
    "UNP:O60934",
    "UNP:O66490",
    "UNP:O66494",
    "UNP:O66551",
    "UNP:O66610",
    "UNP:O66766",
    "UNP:O66986",
    "UNP:O67033",
    "UNP:O67060",
    "UNP:O67099",
    "UNP:O67174",
    "UNP:O67181",
    "UNP:O67182",
    "UNP:O67198",
    "UNP:O67518",
    "UNP:O67572",
    "UNP:O67883",
    "UNP:O67904",
    "UNP:O68183",
    "UNP:O68195",
    "UNP:O68196",
    "UNP:O73948",
    "UNP:O74036",
    "UNP:O74429",
    "UNP:O74536",
    "UNP:O74771",
    "UNP:O74772",
    "UNP:O74866",
    "UNP:O74966",
    "UNP:O75027",
    "UNP:O75083",
    "UNP:O75191",
    "UNP:O75348",
    "UNP:O75419",
    "UNP:O75581",
    "UNP:O75643",
    "UNP:O75771",
    "UNP:O75787",
    "UNP:O75822",
    "UNP:O75909",
    "UNP:O75914",
    "UNP:O75934",
    "UNP:O75935",
    "UNP:O75947",
    "UNP:O75964",
    "UNP:O76021",
    "UNP:O76031",
    "UNP:O76080",
    "UNP:O78751",
    "UNP:O78752",
    "UNP:O79874",
    "UNP:O79875",
    "UNP:O79876",
    "UNP:O79880",
    "UNP:O79881",
    "UNP:O79882",
    "UNP:O82264",
    "UNP:O83774",
    "UNP:O86311",
    "UNP:O87880",
    "UNP:O87952",
    "UNP:O87953",
    "UNP:O93732",
    "UNP:O94316",
    "UNP:O94383",
    "UNP:O94508",
    "UNP:O94620",
    "UNP:O94742",
    "UNP:O94762",
    "UNP:O94768",
    "UNP:O95340",
    "UNP:O95342",
    "UNP:O95391",
    "UNP:O95478",
    "UNP:O95619",
    "UNP:O95777",
    "UNP:O95786",
    "UNP:O95926",
    "UNP:O96017",
    "UNP:O96019",
    "UNP:O96989",
    "UNP:O97428",
    "UNP:P00459",
    "UNP:P00557",
    "UNP:P00558",
    "UNP:P00563",
    "UNP:P00639",
    "UNP:P00825",
    "UNP:P00829",
    "UNP:P00830",
    "UNP:P00833",
    "UNP:P00845",
    "UNP:P00846",
    "UNP:P00847",
    "UNP:P00854",
    "UNP:P00856",
    "UNP:P00879",
    "UNP:P00968",
    "UNP:P01096",
    "UNP:P01097",
    "UNP:P01834",
    "UNP:P01857",
    "UNP:P02281",
    "UNP:P02293",
    "UNP:P02294",
    "UNP:P02309",
    "UNP:P02406",
    "UNP:P02407",
    "UNP:P02554",
    "UNP:P02566",
    "UNP:P02578",
    "UNP:P02607",
    "UNP:P02612",
    "UNP:P02666",
    "UNP:P02721",
    "UNP:P02829",
    "UNP:P02916",
    "UNP:P02920",
    "UNP:P03018",
    "UNP:P03069",
    "UNP:P03070",
    "UNP:P03132",
    "UNP:P03689",
    "UNP:P03888",
    "UNP:P03893",
    "UNP:P03899",
    "UNP:P03903",
    "UNP:P03911",
    "UNP:P03921",
    "UNP:P03925",
    "UNP:P03928",
    "UNP:P03929",
    "UNP:P03959",
    "UNP:P03960",
    "UNP:P03961",
    "UNP:P04035",
    "UNP:P04049",
    "UNP:P04050",
    "UNP:P04150",
    "UNP:P04191",
    "UNP:P04198",
    "UNP:P04295",
    "UNP:P04414",
    "UNP:P04449",
    "UNP:P04456",
    "UNP:P04525",
    "UNP:P04526",
    "UNP:P04527",
    "UNP:P04650",
    "UNP:P04690",
    "UNP:P04908",
    "UNP:P04911",
    "UNP:P04912",
    "UNP:P05026",
    "UNP:P05091",
    "UNP:P05095",
    "UNP:P05132",
    "UNP:P05165",
    "UNP:P05166",
    "UNP:P05198",
    "UNP:P05317",
    "UNP:P05388",
    "UNP:P05435",
    "UNP:P05480",
    "UNP:P05496",
    "UNP:P05626",
    "UNP:P05630",
    "UNP:P05631",
    "UNP:P05632",
    "UNP:P05637",
    "UNP:P05661",
    "UNP:P05737",
    "UNP:P05738",
    "UNP:P05739",
    "UNP:P05740",
    "UNP:P05743",
    "UNP:P05744",
    "UNP:P05745",
    "UNP:P05747",
    "UNP:P05748",
    "UNP:P05749",
    "UNP:P05750",
    "UNP:P05756",
    "UNP:P05759",
    "UNP:P05834",
    "UNP:P05846",
    "UNP:P05852",
    "UNP:P05977",
    "UNP:P06103",
    "UNP:P06136",
    "UNP:P06242",
    "UNP:P06243",
    "UNP:P06367",
    "UNP:P06396",
    "UNP:P06450",
    "UNP:P06451",
    "UNP:P06453",
    "UNP:P06514",
    "UNP:P06576",
    "UNP:P06710",
    "UNP:P06742",
    "UNP:P06782",
    "UNP:P06839",
    "UNP:P06855",
    "UNP:P06897",
    "UNP:P06899",
    "UNP:P06993",
    "UNP:P06999",
    "UNP:P07038",
    "UNP:P07250",
    "UNP:P07251",
    "UNP:P07271",
    "UNP:P07280",
    "UNP:P07291",
    "UNP:P07328",
    "UNP:P07329",
    "UNP:P07340",
    "UNP:P07437",
    "UNP:P07620",
    "UNP:P07677",
    "UNP:P07678",
    "UNP:P07737",
    "UNP:P07825",
    "UNP:P07830",
    "UNP:P07862",
    "UNP:P07900",
    "UNP:P07926",
    "UNP:P08192",
    "UNP:P08238",
    "UNP:P08515",
    "UNP:P08518",
    "UNP:P08579",
    "UNP:P08590",
    "UNP:P08690",
    "UNP:P08708",
    "UNP:P08716",
    "UNP:P08799",
    "UNP:P08865",
    "UNP:P09029",
    "UNP:P09064",
    "UNP:P09204",
    "UNP:P09219",
    "UNP:P09221",
    "UNP:P09222",
    "UNP:P09457",
    "UNP:P09493",
    "UNP:P09661",
    "UNP:P0A0B9",
    "UNP:P0A1F0",
    "UNP:P0A1P6",
    "UNP:P0A2X7",
    "UNP:P0A3F3",
    "UNP:P0A3Y5",
    "UNP:P0A6C8",
    "UNP:P0A6E6",
    "UNP:P0A6F1",
    "UNP:P0A6F5",
    "UNP:P0A6F9",
    "UNP:P0A6G7",
    "UNP:P0A6H1",
    "UNP:P0A6I3",
    "UNP:P0A6U8",
    "UNP:P0A6W9",
    "UNP:P0A6X3",
    "UNP:P0A6Z3",
    "UNP:P0A717",
    "UNP:P0A7D7",
    "UNP:P0A7E5",
    "UNP:P0A7G6",
    "UNP:P0A7Z4",
    "UNP:P0A800",
    "UNP:P0A812",
    "UNP:P0A817",
    "UNP:P0A8Q6",
    "UNP:P0A8T7",
    "UNP:P0A8V2",
    "UNP:P0A910",
    "UNP:P0A930",
    "UNP:P0A988",
    "UNP:P0A9J6",
    "UNP:P0A9Q5",
    "UNP:P0A9V1",
    "UNP:P0AB85",
    "UNP:P0AB98",
    "UNP:P0ABA0",
    "UNP:P0ABA4",
    "UNP:P0ABA6",
    "UNP:P0ABB0",
    "UNP:P0ABB4",
    "UNP:P0ABD5",
    "UNP:P0ABD8",
    "UNP:P0ABE7",
    "UNP:P0ABH9",
    "UNP:P0ABQ4",
    "UNP:P0ABS5",
    "UNP:P0AC55",
    "UNP:P0ACB0",
    "UNP:P0ADC3",
    "UNP:P0ADT5",
    "UNP:P0AE82",
    "UNP:P0AEF0",
    "UNP:P0AES0",
    "UNP:P0AES6",
    "UNP:P0AEW6",
    "UNP:P0AEW9",
    "UNP:P0AEX9",
    "UNP:P0AFF6",
    "UNP:P0AFG0",
    "UNP:P0AFI0",
    "UNP:P0AFW8",
    "UNP:P0AFZ3",
    "UNP:P0AG30",
    "UNP:P0AG76",
    "UNP:P0C074",
    "UNP:P0C0S5",
    "UNP:P0C0S8",
    "UNP:P0C0V8",
    "UNP:P0C0W1",
    "UNP:P0C0W9",
    "UNP:P0C2H6",
    "UNP:P0C2H8",
    "UNP:P0C5R9",
    "UNP:P0CG47",
    "UNP:P0CG48",
    "UNP:P0CG63",
    "UNP:P0CH08",
    "UNP:P0CL52",
    "UNP:P0CT47",
    "UNP:P0CU28",
    "UNP:P0CU63",
    "UNP:P0CU64",
    "UNP:P0CU65",
    "UNP:P0CW57",
    "UNP:P0CX23",
    "UNP:P0CX25",
    "UNP:P0CX27",
    "UNP:P0CX29",
    "UNP:P0CX31",
    "UNP:P0CX33",
    "UNP:P0CX35",
    "UNP:P0CX36",
    "UNP:P0CX37",
    "UNP:P0CX38",
    "UNP:P0CX39",
    "UNP:P0CX41",
    "UNP:P0CX43",
    "UNP:P0CX45",
    "UNP:P0CX47",
    "UNP:P0CX49",
    "UNP:P0CX51",
    "UNP:P0CX53",
    "UNP:P0CX55",
    "UNP:P0CX82",
    "UNP:P0CX84",
    "UNP:P0CX86",
    "UNP:P0DMV8",
    "UNP:P0DMV9",
    "UNP:P0DN34",
    "UNP:P0DP23",
    "UNP:P0DP26",
    "UNP:P0DPA8",
    "UNP:P0DPG3",
    "UNP:P0DPG4",
    "UNP:P0DSP4",
    "UNP:P0DTC1",
    "UNP:P0DTD1",
    "UNP:P0DV54",
    "UNP:P0DV91",
    "UNP:P0DV92",
    "UNP:P0DV93",
    "UNP:P0DX82",
    "UNP:P0DX84",
    "UNP:P10153",
    "UNP:P10189",
    "UNP:P10212",
    "UNP:P10217",
    "UNP:P10236",
    "UNP:P10408",
    "UNP:P10515",
    "UNP:P10587",
    "UNP:P10664",
    "UNP:P10809",
    "UNP:P10916",
    "UNP:P10987",
    "UNP:P11019",
    "UNP:P11021",
    "UNP:P11142",
    "UNP:P11402",
    "UNP:P11499",
    "UNP:P11716",
    "UNP:P11798",
    "UNP:P11862",
    "UNP:P11904",
    "UNP:P11908",
    "UNP:P11974",
    "UNP:P12004",
    "UNP:P12277",
    "UNP:P12532",
    "UNP:P12612",
    "UNP:P12883",
    "UNP:P12904",
    "UNP:P13000",
    "UNP:P13020",
    "UNP:P13393",
    "UNP:P13458",
    "UNP:P13543",
    "UNP:P13618",
    "UNP:P13619",
    "UNP:P13620",
    "UNP:P13621",
    "UNP:P13637",
    "UNP:P13639",
    "UNP:P13796",
    "UNP:P13797",
    "UNP:P13835",
    "UNP:P13991",
    "UNP:P13995",
    "UNP:P14120",
    "UNP:P14126",
    "UNP:P14127",
    "UNP:P14334",
    "UNP:P14336",
    "UNP:P14618",
    "UNP:P14649",
    "UNP:P14678",
    "UNP:P14790",
    "UNP:P14900",
    "UNP:P15056",
    "UNP:P15104",
    "UNP:P15108",
    "UNP:P15424",
    "UNP:P15531",
    "UNP:P15532",
    "UNP:P15646",
    "UNP:P15873",
    "UNP:P15879",
    "UNP:P15880",
    "UNP:P16094",
    "UNP:P16099",
    "UNP:P16140",
    "UNP:P16370",
    "UNP:P16455",
    "UNP:P16474",
    "UNP:P16521",
    "UNP:P16641",
    "UNP:P16678",
    "UNP:P16679",
    "UNP:P16685",
    "UNP:P16686",
    "UNP:P16687",
    "UNP:P16688",
    "UNP:P16892",
    "UNP:P17066",
    "UNP:P17076",
    "UNP:P17105",
    "UNP:P17119",
    "UNP:P17210",
    "UNP:P17255",
    "UNP:P17312",
    "UNP:P17540",
    "UNP:P17605",
    "UNP:P17858",
    "UNP:P17980",
    "UNP:P17987",
    "UNP:P18074",
    "UNP:P18077",
    "UNP:P18105",
    "UNP:P18124",
    "UNP:P18206",
    "UNP:P18621",
    "UNP:P18708",
    "UNP:P18759",
    "UNP:P18859",
    "UNP:P19120",
    "UNP:P19367",
    "UNP:P19387",
    "UNP:P19388",
    "UNP:P19447",
    "UNP:P19483",
    "UNP:P19949",
    "UNP:P20042",
    "UNP:P20095",
    "UNP:P20236",
    "UNP:P20425",
    "UNP:P20433",
    "UNP:P20434",
    "UNP:P20435",
    "UNP:P20436",
    "UNP:P20449",
    "UNP:P20459",
    "UNP:P20478",
    "UNP:P20480",
    "UNP:P20585",
    "UNP:P20618",
    "UNP:P21127",
    "UNP:P21242",
    "UNP:P21243",
    "UNP:P21281",
    "UNP:P21282",
    "UNP:P21283",
    "UNP:P21306",
    "UNP:P21333",
    "UNP:P21372",
    "UNP:P21524",
    "UNP:P21566",
    "UNP:P21693",
    "UNP:P21951",
    "UNP:P22033",
    "UNP:P22082",
    "UNP:P22139",
    "UNP:P22141",
    "UNP:P22203",
    "UNP:P22259",
    "UNP:P22887",
    "UNP:P23184",
    "UNP:P23185",
    "UNP:P23186",
    "UNP:P23222",
    "UNP:P23256",
    "UNP:P23367",
    "UNP:P23396",
    "UNP:P23458",
    "UNP:P23509",
    "UNP:P23528",
    "UNP:P23638",
    "UNP:P23639",
    "UNP:P23677",
    "UNP:P23724",
    "UNP:P23874",
    "UNP:P23886",
    "UNP:P23909",
    "UNP:P23919",
    "UNP:P23956",
    "UNP:P23968",
    "UNP:P24032",
    "UNP:P24182",
    "UNP:P24255",
    "UNP:P24279",
    "UNP:P24425",
    "UNP:P24482",
    "UNP:P24499",
    "UNP:P24539",
    "UNP:P24733",
    "UNP:P24785",
    "UNP:P24928",
    "UNP:P24941",
    "UNP:P24964",
    "UNP:P25043",
    "UNP:P25051",
    "UNP:P25205",
    "UNP:P25286",
    "UNP:P25301",
    "UNP:P25321",
    "UNP:P25337",
    "UNP:P25359",
    "UNP:P25368",
    "UNP:P25385",
    "UNP:P25398",
    "UNP:P25443",
    "UNP:P25451",
    "UNP:P25453",
    "UNP:P25454",
    "UNP:P25515",
    "UNP:P25582",
    "UNP:P25588",
    "UNP:P25635",
    "UNP:P25656",
    "UNP:P25694",
    "UNP:P25705",
    "UNP:P25786",
    "UNP:P25787",
    "UNP:P25788",
    "UNP:P25789",
    "UNP:P26039",
    "UNP:P26231",
    "UNP:P26281",
    "UNP:P26285",
    "UNP:P26321",
    "UNP:P26373",
    "UNP:P26783",
    "UNP:P26784",
    "UNP:P26786",
    "UNP:P27296",
    "UNP:P27449",
    "UNP:P27616",
    "UNP:P27692",
    "UNP:P27707",
    "UNP:P27999",
    "UNP:P28004",
    "UNP:P28066",
    "UNP:P28070",
    "UNP:P28072",
    "UNP:P28074",
    "UNP:P28289",
    "UNP:P28366",
    "UNP:P28482",
    "UNP:P28630",
    "UNP:P28631",
    "UNP:P28632",
    "UNP:P29018",
    "UNP:P29055",
    "UNP:P29083",
    "UNP:P29469",
    "UNP:P29496",
    "UNP:P29597",
    "UNP:P30049",
    "UNP:P30050",
    "UNP:P30561",
    "UNP:P30656",
    "UNP:P30657",
    "UNP:P30665",
    "UNP:P30771",
    "UNP:P30776",
    "UNP:P30876",
    "UNP:P30902",
    "UNP:P30958",
    "UNP:P31109",
    "UNP:P31404",
    "UNP:P31408",
    "UNP:P31412",
    "UNP:P31853",
    "UNP:P31948",
    "UNP:P32143",
    "UNP:P32171",
    "UNP:P32325",
    "UNP:P32361",
    "UNP:P32366",
    "UNP:P32379",
    "UNP:P32390",
    "UNP:P32419",
    "UNP:P32477",
    "UNP:P32481",
    "UNP:P32496",
    "UNP:P32497",
    "UNP:P32523",
    "UNP:P32558",
    "UNP:P32563",
    "UNP:P32565",
    "UNP:P32597",
    "UNP:P32602",
    "UNP:P32610",
    "UNP:P32617",
    "UNP:P32639",
    "UNP:P32641",
    "UNP:P32657",
    "UNP:P32660",
    "UNP:P32773",
    "UNP:P32774",
    "UNP:P32776",
    "UNP:P32780",
    "UNP:P32833",
    "UNP:P32839",
    "UNP:P32842",
    "UNP:P32851",
    "UNP:P32854",
    "UNP:P32867",
    "UNP:P32876",
    "UNP:P32899",
    "UNP:P32905",
    "UNP:P32911",
    "UNP:P32914",
    "UNP:P32969",
    "UNP:P33173",
    "UNP:P33176",
    "UNP:P33201",
    "UNP:P33221",
    "UNP:P33222",
    "UNP:P33297",
    "UNP:P33298",
    "UNP:P33299",
    "UNP:P33302",
    "UNP:P33334",
    "UNP:P33442",
    "UNP:P33750",
    "UNP:P33755",
    "UNP:P33778",
    "UNP:P33919",
    "UNP:P33991",
    "UNP:P33992",
    "UNP:P33993",
    "UNP:P34036",
    "UNP:P34087",
    "UNP:P34164",
    "UNP:P34223",
    "UNP:P34247",
    "UNP:P34931",
    "UNP:P35194",
    "UNP:P35221",
    "UNP:P35222",
    "UNP:P35249",
    "UNP:P35250",
    "UNP:P35251",
    "UNP:P35268",
    "UNP:P35579",
    "UNP:P35609",
    "UNP:P35790",
    "UNP:P35869",
    "UNP:P35997",
    "UNP:P35998",
    "UNP:P36022",
    "UNP:P36048",
    "UNP:P36049",
    "UNP:P36100",
    "UNP:P36105",
    "UNP:P36108",
    "UNP:P36145",
    "UNP:P36542",
    "UNP:P36543",
    "UNP:P36578",
    "UNP:P36775",
    "UNP:P36776",
    "UNP:P36937",
    "UNP:P36954",
    "UNP:P37344",
    "UNP:P37366",
    "UNP:P37571",
    "UNP:P38011",
    "UNP:P38061",
    "UNP:P38077",
    "UNP:P38132",
    "UNP:P38144",
    "UNP:P38170",
    "UNP:P38202",
    "UNP:P38241",
    "UNP:P38249",
    "UNP:P38251",
    "UNP:P38326",
    "UNP:P38333",
    "UNP:P38431",
    "UNP:P38502",
    "UNP:P38606",
    "UNP:P38624",
    "UNP:P38629",
    "UNP:P38630",
    "UNP:P38634",
    "UNP:P38701",
    "UNP:P38747",
    "UNP:P38751",
    "UNP:P38764",
    "UNP:P38779",
    "UNP:P38792",
    "UNP:P38801",
    "UNP:P38826",
    "UNP:P38882",
    "UNP:P38886",
    "UNP:P38902",
    "UNP:P38912",
    "UNP:P38919",
    "UNP:P38953",
    "UNP:P38989",
    "UNP:P39019",
    "UNP:P39023",
    "UNP:P39076",
    "UNP:P39077",
    "UNP:P39078",
    "UNP:P39079",
    "UNP:P39111",
    "UNP:P39516",
    "UNP:P39524",
    "UNP:P39641",
    "UNP:P39744",
    "UNP:P39938",
    "UNP:P39939",
    "UNP:P39942",
    "UNP:P39946",
    "UNP:P39964",
    "UNP:P39990",
    "UNP:P40007",
    "UNP:P40010",
    "UNP:P40016",
    "UNP:P40018",
    "UNP:P40019",
    "UNP:P40040",
    "UNP:P40055",
    "UNP:P40056",
    "UNP:P40078",
    "UNP:P40124",
    "UNP:P40149",
    "UNP:P40154",
    "UNP:P40204",
    "UNP:P40217",
    "UNP:P40227",
    "UNP:P40302",
    "UNP:P40303",
    "UNP:P40327",
    "UNP:P40339",
    "UNP:P40340",
    "UNP:P40348",
    "UNP:P40357",
    "UNP:P40359",
    "UNP:P40362",
    "UNP:P40413",
    "UNP:P40422",
    "UNP:P40429",
    "UNP:P40465",
    "UNP:P40470",
    "UNP:P40565",
    "UNP:P40682",
    "UNP:P40692",
    "UNP:P40693",
    "UNP:P40731",
    "UNP:P40937",
    "UNP:P40938",
    "UNP:P40968",
    "UNP:P40991",
    "UNP:P41057",
    "UNP:P41091",
    "UNP:P41148",
    "UNP:P41223",
    "UNP:P41567",
    "UNP:P41743",
    "UNP:P41805",
    "UNP:P41807",
    "UNP:P41819",
    "UNP:P41895",
    "UNP:P41896",
    "UNP:P42212",
    "UNP:P42285",
    "UNP:P42345",
    "UNP:P42527",
    "UNP:P42639",
    "UNP:P42677",
    "UNP:P42766",
    "UNP:P42838",
    "UNP:P42943",
    "UNP:P42945",
    "UNP:P43034",
    "UNP:P43246",
    "UNP:P43321",
    "UNP:P43329",
    "UNP:P43586",
    "UNP:P43588",
    "UNP:P43686",
    "UNP:P43772",
    "UNP:P43773",
    "UNP:P43873",
    "UNP:P44492",
    "UNP:P45520",
    "UNP:P46020",
    "UNP:P46063",
    "UNP:P46087",
    "UNP:P46100",
    "UNP:P46598",
    "UNP:P46776",
    "UNP:P46777",
    "UNP:P46778",
    "UNP:P46779",
    "UNP:P46781",
    "UNP:P46782",
    "UNP:P46783",
    "UNP:P46873",
    "UNP:P46939",
    "UNP:P46947",
    "UNP:P46948",
    "UNP:P47027",
    "UNP:P47047",
    "UNP:P47079",
    "UNP:P47083",
    "UNP:P47104",
    "UNP:P47112",
    "UNP:P47547",
    "UNP:P47753",
    "UNP:P47756",
    "UNP:P47757",
    "UNP:P47813",
    "UNP:P47900",
    "UNP:P47914",
    "UNP:P48047",
    "UNP:P48240",
    "UNP:P48467",
    "UNP:P48556",
    "UNP:P48581",
    "UNP:P48589",
    "UNP:P48643",
    "UNP:P48730",
    "UNP:P48836",
    "UNP:P49166",
    "UNP:P49167",
    "UNP:P49207",
    "UNP:P49333",
    "UNP:P49368",
    "UNP:P49720",
    "UNP:P49721",
    "UNP:P49735",
    "UNP:P49736",
    "UNP:P49773",
    "UNP:P49841",
    "UNP:P49842",
    "UNP:P49850",
    "UNP:P49903",
    "UNP:P49914",
    "UNP:P49955",
    "UNP:P49956",
    "UNP:P49959",
    "UNP:P50053",
    "UNP:P50213",
    "UNP:P50408",
    "UNP:P50557",
    "UNP:P50561",
    "UNP:P50613",
    "UNP:P50620",
    "UNP:P50667",
    "UNP:P50752",
    "UNP:P50874",
    "UNP:P50914",
    "UNP:P50990",
    "UNP:P50991",
    "UNP:P51532",
    "UNP:P51541",
    "UNP:P51553",
    "UNP:P51570",
    "UNP:P51587",
    "UNP:P51649",
    "UNP:P51665",
    "UNP:P51798",
    "UNP:P51943",
    "UNP:P51946",
    "UNP:P51948",
    "UNP:P51955",
    "UNP:P52286",
    "UNP:P52332",
    "UNP:P52434",
    "UNP:P52435",
    "UNP:P52503",
    "UNP:P52701",
    "UNP:P52732",
    "UNP:P52874",
    "UNP:P52907",
    "UNP:P52917",
    "UNP:P53041",
    "UNP:P53044",
    "UNP:P53091",
    "UNP:P53115",
    "UNP:P53131",
    "UNP:P53135",
    "UNP:P53254",
    "UNP:P53256",
    "UNP:P53261",
    "UNP:P53262",
    "UNP:P53276",
    "UNP:P53277",
    "UNP:P53323",
    "UNP:P53330",
    "UNP:P53333",
    "UNP:P53335",
    "UNP:P53355",
    "UNP:P53396",
    "UNP:P53476",
    "UNP:P53549",
    "UNP:P53570",
    "UNP:P53571",
    "UNP:P53725",
    "UNP:P53769",
    "UNP:P53803",
    "UNP:P53840",
    "UNP:P53859",
    "UNP:P53927",
    "UNP:P53941",
    "UNP:P53946",
    "UNP:P54132",
    "UNP:P54311",
    "UNP:P54578",
    "UNP:P54609",
    "UNP:P54619",
    "UNP:P54645",
    "UNP:P54651",
    "UNP:P54652",
    "UNP:P54708",
    "UNP:P54762",
    "UNP:P54784",
    "UNP:P54790",
    "UNP:P54791",
    "UNP:P54888",
    "UNP:P54921",
    "UNP:P54922",
    "UNP:P54999",
    "UNP:P55036",
    "UNP:P55072",
    "UNP:P55264",
    "UNP:P55342",
    "UNP:P55884",
    "UNP:P56073",
    "UNP:P56134",
    "UNP:P56182",
    "UNP:P56378",
    "UNP:P56381",
    "UNP:P56385",
    "UNP:P56536",
    "UNP:P56537",
    "UNP:P56632",
    "UNP:P58301",
    "UNP:P58555",
    "UNP:P58571",
    "UNP:P58771",
    "UNP:P58775",
    "UNP:P59226",
    "UNP:P59259",
    "UNP:P59768",
    "UNP:P59998",
    "UNP:P60002",
    "UNP:P60009",
    "UNP:P60010",
    "UNP:P60228",
    "UNP:P60240",
    "UNP:P60709",
    "UNP:P60710",
    "UNP:P60712",
    "UNP:P60752",
    "UNP:P60866",
    "UNP:P60881",
    "UNP:P60891",
    "UNP:P60896",
    "UNP:P60899",
    "UNP:P60900",
    "UNP:P61079",
    "UNP:P61157",
    "UNP:P61158",
    "UNP:P61160",
    "UNP:P61163",
    "UNP:P61218",
    "UNP:P61221",
    "UNP:P61247",
    "UNP:P61254",
    "UNP:P61313",
    "UNP:P61326",
    "UNP:P61353",
    "UNP:P61420",
    "UNP:P61421",
    "UNP:P61513",
    "UNP:P61604",
    "UNP:P61758",
    "UNP:P61769",
    "UNP:P61823",
    "UNP:P61829",
    "UNP:P61830",
    "UNP:P61925",
    "UNP:P61926",
    "UNP:P61927",
    "UNP:P62010",
    "UNP:P62081",
    "UNP:P62149",
    "UNP:P62152",
    "UNP:P62191",
    "UNP:P62194",
    "UNP:P62195",
    "UNP:P62241",
    "UNP:P62244",
    "UNP:P62249",
    "UNP:P62263",
    "UNP:P62266",
    "UNP:P62269",
    "UNP:P62273",
    "UNP:P62277",
    "UNP:P62280",
    "UNP:P62304",
    "UNP:P62306",
    "UNP:P62308",
    "UNP:P62310",
    "UNP:P62312",
    "UNP:P62314",
    "UNP:P62316",
    "UNP:P62318",
    "UNP:P62333",
    "UNP:P62335",
    "UNP:P62424",
    "UNP:P62487",
    "UNP:P62495",
    "UNP:P62615",
    "UNP:P62701",
    "UNP:P62750",
    "UNP:P62753",
    "UNP:P62798",
    "UNP:P62799",
    "UNP:P62805",
    "UNP:P62807",
    "UNP:P62815",
    "UNP:P62829",
    "UNP:P62841",
    "UNP:P62847",
    "UNP:P62851",
    "UNP:P62854",
    "UNP:P62857",
    "UNP:P62861",
    "UNP:P62871",
    "UNP:P62873",
    "UNP:P62875",
    "UNP:P62888",
    "UNP:P62891",
    "UNP:P62899",
    "UNP:P62906",
    "UNP:P62910",
    "UNP:P62913",
    "UNP:P62917",
    "UNP:P62945",
    "UNP:P62979",
    "UNP:P62987",
    "UNP:P63043",
    "UNP:P63081",
    "UNP:P63086",
    "UNP:P63092",
    "UNP:P63167",
    "UNP:P63172",
    "UNP:P63173",
    "UNP:P63212",
    "UNP:P63220",
    "UNP:P63244",
    "UNP:P63248",
    "UNP:P63249",
    "UNP:P63261",
    "UNP:P63267",
    "UNP:P63284",
    "UNP:P63820",
    "UNP:P66746",
    "UNP:P67910",
    "UNP:P68032",
    "UNP:P68033",
    "UNP:P68036",
    "UNP:P68106",
    "UNP:P68133",
    "UNP:P68134",
    "UNP:P68135",
    "UNP:P68136",
    "UNP:P68137",
    "UNP:P68138",
    "UNP:P68139",
    "UNP:P68183",
    "UNP:P68187",
    "UNP:P68369",
    "UNP:P68372",
    "UNP:P68400",
    "UNP:P68431",
    "UNP:P68699",
    "UNP:P69441",
    "UNP:P69447",
    "UNP:P69681",
    "UNP:P69776",
    "UNP:P70731",
    "UNP:P71913",
    "UNP:P72367",
    "UNP:P73954",
    "UNP:P74717",
    "UNP:P74881",
    "UNP:P74901",
    "UNP:P74902",
    "UNP:P74903",
    "UNP:P75430",
    "UNP:P75957",
    "UNP:P75958",
    "UNP:P76014",
    "UNP:P76015",
    "UNP:P76016",
    "UNP:P76256",
    "UNP:P76387",
    "UNP:P76562",
    "UNP:P76594",
    "UNP:P77493",
    "UNP:P78371",
    "UNP:P78383",
    "UNP:P78774",
    "UNP:P78789",
    "UNP:P78794",
    "UNP:P79293",
    "UNP:P80021",
    "UNP:P80385",
    "UNP:P81134",
    "UNP:P81450",
    "UNP:P81947",
    "UNP:P83731",
    "UNP:P83820",
    "UNP:P83881",
    "UNP:P84098",
    "UNP:P84233",
    "UNP:P84243",
    "UNP:P84253",
    "UNP:P84308",
    "UNP:P85100",
    "UNP:P87051",
    "UNP:P87126",
    "UNP:P87262",
    "UNP:P87312",
    "UNP:P90947",
    "UNP:P93107",
    "UNP:P95474",
    "UNP:P97328",
    "UNP:P97457",
    "UNP:P97479",
    "UNP:P98194",
    "UNP:P99165",
    "UNP:P9WH25",
    "UNP:P9WH27",
    "UNP:P9WH29",
    "UNP:P9WH31",
    "UNP:P9WH33",
    "UNP:P9WH35",
    "UNP:P9WH37",
    "UNP:P9WH41",
    "UNP:P9WH45",
    "UNP:P9WH49",
    "UNP:P9WH51",
    "UNP:P9WH53",
    "UNP:P9WH55",
    "UNP:P9WH57",
    "UNP:P9WH61",
    "UNP:P9WH63",
    "UNP:P9WH65",
    "UNP:P9WH67",
    "UNP:P9WH79",
    "UNP:P9WH81",
    "UNP:P9WH83",
    "UNP:P9WH85",
    "UNP:P9WH87",
    "UNP:P9WH89",
    "UNP:P9WH91",
    "UNP:P9WH93",
    "UNP:P9WH95",
    "UNP:P9WH99",
    "UNP:P9WHA1",
    "UNP:P9WHA3",
    "UNP:P9WHA5",
    "UNP:P9WHA7",
    "UNP:P9WHB3",
    "UNP:P9WHB5",
    "UNP:P9WHB7",
    "UNP:P9WHB9",
    "UNP:P9WHC1",
    "UNP:P9WHC3",
    "UNP:P9WHC5",
    "UNP:P9WHC7",
    "UNP:P9WHC9",
    "UNP:P9WHD1",
    "UNP:P9WHD3",
    "UNP:P9WHD5",
    "UNP:P9WHD7",
    "UNP:P9WHD9",
    "UNP:P9WHE1",
    "UNP:P9WHK7",
    "UNP:P9WHN5",
    "UNP:P9WHT9",
    "UNP:P9WHU1",
    "UNP:P9WI69",
    "UNP:P9WI73",
    "UNP:P9WI81",
    "UNP:P9WKF5",
    "UNP:P9WKG7",
    "UNP:P9WKX5",
    "UNP:P9WMJ9",
    "UNP:P9WN39",
    "UNP:P9WNM5",
    "UNP:P9WPA7",
    "UNP:P9WPB9",
    "UNP:P9WPC3",
    "UNP:P9WPC5",
    "UNP:P9WPC9",
    "UNP:P9WPD1",
    "UNP:P9WPQ5",
    "UNP:P9WPS1",
    "UNP:P9WPU5",
    "UNP:P9WPU7",
    "UNP:P9WPU9",
    "UNP:P9WPV1",
    "UNP:P9WPV3",
    "UNP:P9WPV5",
    "UNP:P9WPV7",
    "UNP:P9WPY3",
    "UNP:P9WQJ1",
    "UNP:P9WQJ3",
    "UNP:P9WQJ7",
    "UNP:P9WQJ9",
    "UNP:P9WQK3",
    "UNP:P9WQK7",
    "UNP:P9WQN5",
    "UNP:Q00168",
    "UNP:Q00361",
    "UNP:Q00416",
    "UNP:Q004B5",
    "UNP:Q00578",
    "UNP:Q00942",
    "UNP:Q00972",
    "UNP:Q01415",
    "UNP:Q01454",
    "UNP:Q01518",
    "UNP:Q01855",
    "UNP:Q01939",
    "UNP:Q02224",
    "UNP:Q02260",
    "UNP:Q02280",
    "UNP:Q02326",
    "UNP:Q02354",
    "UNP:Q02440",
    "UNP:Q02521",
    "UNP:Q02543",
    "UNP:Q02554",
    "UNP:Q02566",
    "UNP:Q02574",
    "UNP:Q02750",
    "UNP:Q02753",
    "UNP:Q02770",
    "UNP:Q02878",
    "UNP:Q02880",
    "UNP:Q02892",
    "UNP:Q02931",
    "UNP:Q02939",
    "UNP:Q03195",
    "UNP:Q03290",
    "UNP:Q03375",
    "UNP:Q03388",
    "UNP:Q03406",
    "UNP:Q03433",
    "UNP:Q03468",
    "UNP:Q03518",
    "UNP:Q03519",
    "UNP:Q03532",
    "UNP:Q03555",
    "UNP:Q03654",
    "UNP:Q03656",
    "UNP:Q03705",
    "UNP:Q03772",
    "UNP:Q03940",
    "UNP:Q03956",
    "UNP:Q03ZI1",
    "UNP:Q04048",
    "UNP:Q04062",
    "UNP:Q04067",
    "UNP:Q04177",
    "UNP:Q04217",
    "UNP:Q04299",
    "UNP:Q04305",
    "UNP:Q04500",
    "UNP:Q04636",
    "UNP:Q04659",
    "UNP:Q04660",
    "UNP:Q04673",
    "UNP:Q04693",
    "UNP:Q04781",
    "UNP:Q05022",
    "UNP:Q05096",
    "UNP:Q05123",
    "UNP:Q05397",
    "UNP:Q05468",
    "UNP:Q05471",
    "UNP:Q05498",
    "UNP:Q05636",
    "UNP:Q05775",
    "UNP:Q05866",
    "UNP:Q05946",
    "UNP:Q05B79",
    "UNP:Q06078",
    "UNP:Q06091",
    "UNP:Q06103",
    "UNP:Q06156",
    "UNP:Q06217",
    "UNP:Q06263",
    "UNP:Q06287",
    "UNP:Q06405",
    "UNP:Q06506",
    "UNP:Q06512",
    "UNP:Q06609",
    "UNP:Q06679",
    "UNP:Q06685",
    "UNP:Q06830",
    "UNP:Q06835",
    "UNP:Q07020",
    "UNP:Q07350",
    "UNP:Q07617",
    "UNP:Q07896",
    "UNP:Q07915",
    "UNP:Q07930",
    "UNP:Q08032",
    "UNP:Q08096",
    "UNP:Q08162",
    "UNP:Q08235",
    "UNP:Q08285",
    "UNP:Q08457",
    "UNP:Q08492",
    "UNP:Q08641",
    "UNP:Q08723",
    "UNP:Q08745",
    "UNP:Q08881",
    "UNP:Q08949",
    "UNP:Q08962",
    "UNP:Q08965",
    "UNP:Q09428",
    "UNP:Q09535",
    "UNP:Q09725",
    "UNP:Q09882",
    "UNP:Q09909",
    "UNP:Q09FB0",
    "UNP:Q0GYW2",
    "UNP:Q0JA29",
    "UNP:Q0KBC8",
    "UNP:Q0P8L1",
    "UNP:Q0P8W7",
    "UNP:Q0TTB4",
    "UNP:Q0VCV6",
    "UNP:Q0X0A9",
    "UNP:Q10059",
    "UNP:Q10163",
    "UNP:Q10316",
    "UNP:Q10343",
    "UNP:Q11YW6",
    "UNP:Q12004",
    "UNP:Q12017",
    "UNP:Q12024",
    "UNP:Q12035",
    "UNP:Q12045",
    "UNP:Q12046",
    "UNP:Q12050",
    "UNP:Q12108",
    "UNP:Q12136",
    "UNP:Q12146",
    "UNP:Q12149",
    "UNP:Q12154",
    "UNP:Q12165",
    "UNP:Q12220",
    "UNP:Q12250",
    "UNP:Q12267",
    "UNP:Q12277",
    "UNP:Q12306",
    "UNP:Q12309",
    "UNP:Q12318",
    "UNP:Q12330",
    "UNP:Q12349",
    "UNP:Q12377",
    "UNP:Q12389",
    "UNP:Q12406",
    "UNP:Q12417",
    "UNP:Q12449",
    "UNP:Q12460",
    "UNP:Q12464",
    "UNP:Q12488",
    "UNP:Q12499",
    "UNP:Q12509",
    "UNP:Q12522",
    "UNP:Q12532",
    "UNP:Q12657",
    "UNP:Q12690",
    "UNP:Q12692",
    "UNP:Q12756",
    "UNP:Q12824",
    "UNP:Q12866",
    "UNP:Q12931",
    "UNP:Q13131",
    "UNP:Q13200",
    "UNP:Q13206",
    "UNP:Q13216",
    "UNP:Q13232",
    "UNP:Q13347",
    "UNP:Q13371",
    "UNP:Q13409",
    "UNP:Q13415",
    "UNP:Q13416",
    "UNP:Q13523",
    "UNP:Q13561",
    "UNP:Q13572",
    "UNP:Q13573",
    "UNP:Q13838",
    "UNP:Q13873",
    "UNP:Q13885",
    "UNP:Q13888",
    "UNP:Q13889",
    "UNP:Q13GL4",
    "UNP:Q13UJ9",
    "UNP:Q14004",
    "UNP:Q14137",
    "UNP:Q14152",
    "UNP:Q14191",
    "UNP:Q14203",
    "UNP:Q14204",
    "UNP:Q14331",
    "UNP:Q14457",
    "UNP:Q14562",
    "UNP:Q14566",
    "UNP:Q14654",
    "UNP:Q14669",
    "UNP:Q14683",
    "UNP:Q14691",
    "UNP:Q14764",
    "UNP:Q14807",
    "UNP:Q148J6",
    "UNP:Q14JW6",
    "UNP:Q15008",
    "UNP:Q15029",
    "UNP:Q15050",
    "UNP:Q15119",
    "UNP:Q15120",
    "UNP:Q15554",
    "UNP:Q15645",
    "UNP:Q15831",
    "UNP:Q15904",
    "UNP:Q15906",
    "UNP:Q16531",
    "UNP:Q16543",
    "UNP:Q16643",
    "UNP:Q16654",
    "UNP:Q16658",
    "UNP:Q16774",
    "UNP:Q16778",
    "UNP:Q16816",
    "UNP:Q16864",
    "UNP:Q16875",
    "UNP:Q18688",
    "UNP:Q1G929",
    "UNP:Q1GBI8",
    "UNP:Q1GBI9",
    "UNP:Q1GBJ0",
    "UNP:Q1HBG9",
    "UNP:Q1HFV9",
    "UNP:Q1HFW0",
    "UNP:Q1HFW2",
    "UNP:Q1HFX0",
    "UNP:Q1HFX1",
    "UNP:Q1HGH8",
    "UNP:Q1HGH9",
    "UNP:Q1JP79",
    "UNP:Q1R415",
    "UNP:Q1W0Y2",
    "UNP:Q228N4",
    "UNP:Q22A35",
    "UNP:Q22A67",
    "UNP:Q22AI5",
    "UNP:Q22AX2",
    "UNP:Q22CI1",
    "UNP:Q22DC2",
    "UNP:Q22DP8",
    "UNP:Q22DR7",
    "UNP:Q22DV8",
    "UNP:Q22E24",
    "UNP:Q22E95",
    "UNP:Q22FX8",
    "UNP:Q22HD6",
    "UNP:Q22HE4",
    "UNP:Q22N23",
    "UNP:Q22PJ5",
    "UNP:Q22R86",
    "UNP:Q22RF2",
    "UNP:Q22SC4",
    "UNP:Q22T55",
    "UNP:Q22W11",
    "UNP:Q22W32",
    "UNP:Q22W63",
    "UNP:Q22XT6",
    "UNP:Q22XU5",
    "UNP:Q22YL0",
    "UNP:Q22Z05",
    "UNP:Q22Z32",
    "UNP:Q22ZA6",
    "UNP:Q22ZH1",
    "UNP:Q230X6",
    "UNP:Q231A8",
    "UNP:Q231G0",
    "UNP:Q233U0",
    "UNP:Q233X7",
    "UNP:Q239R1",
    "UNP:Q23B10",
    "UNP:Q23D87",
    "UNP:Q23DG8",
    "UNP:Q23DI3",
    "UNP:Q23DP7",
    "UNP:Q23DS4",
    "UNP:Q23DZ5",
    "UNP:Q23F08",
    "UNP:Q23F81",
    "UNP:Q23FF5",
    "UNP:Q23FU1",
    "UNP:Q23K66",
    "UNP:Q23KA9",
    "UNP:Q23KE0",
    "UNP:Q23KE4",
    "UNP:Q23KG0",
    "UNP:Q23M99",
    "UNP:Q23ND5",
    "UNP:Q23RH8",
    "UNP:Q23S01",
    "UNP:Q23TE5",
    "UNP:Q23VY4",
    "UNP:Q248F8",
    "UNP:Q24C39",
    "UNP:Q24C97",
    "UNP:Q24CW6",
    "UNP:Q24F24",
    "UNP:Q24HK1",
    "UNP:Q24HK5",
    "UNP:Q24HY8",
    "UNP:Q24I07",
    "UNP:Q24I09",
    "UNP:Q24I72",
    "UNP:Q24IM5",
    "UNP:Q24VP4",
    "UNP:Q26454",
    "UNP:Q27974",
    "UNP:Q27J81",
    "UNP:Q28029",
    "UNP:Q28851",
    "UNP:Q28852",
    "UNP:Q288C4",
    "UNP:Q29048",
    "UNP:Q29122",
    "UNP:Q29307",
    "UNP:Q29466",
    "UNP:Q2CIP5",
    "UNP:Q2EN79",
    "UNP:Q2EN81",
    "UNP:Q2FWC5",
    "UNP:Q2FWC7",
    "UNP:Q2FWH3",
    "UNP:Q2FXP5",
    "UNP:Q2FZ58",
    "UNP:Q2FZP6",
    "UNP:Q2G036",
    "UNP:Q2G0P5",
    "UNP:Q2G1U5",
    "UNP:Q2G506",
    "UNP:Q2H9R2",
    "UNP:Q2K340",
    "UNP:Q2KDX6",
    "UNP:Q2KIB5",
    "UNP:Q2M1P5",
    "UNP:Q2NKZ1",
    "UNP:Q2RM91",
    "UNP:Q2RW96",
    "UNP:Q2RW97",
    "UNP:Q2RW98",
    "UNP:Q2SWE7",
    "UNP:Q2SZE4",
    "UNP:Q2T9X2",
    "UNP:Q2TA24",
    "UNP:Q2W8Q6",
    "UNP:Q2XVP4",
    "UNP:Q2YD98",
    "UNP:Q2YHF0",
    "UNP:Q2YLR9",
    "UNP:Q2YPW6",
    "UNP:Q2YQ73",
    "UNP:Q31KC7",
    "UNP:Q32L40",
    "UNP:Q32ZE1",
    "UNP:Q35914",
    "UNP:Q35915",
    "UNP:Q35916",
    "UNP:Q37707",
    "UNP:Q37708",
    "UNP:Q381R3",
    "UNP:Q381R6",
    "UNP:Q381S2",
    "UNP:Q382A7",
    "UNP:Q382E7",
    "UNP:Q382N3",
    "UNP:Q382P6",
    "UNP:Q383F6",
    "UNP:Q383H7",
    "UNP:Q383I9",
    "UNP:Q383J9",
    "UNP:Q383L7",
    "UNP:Q383N6",
    "UNP:Q383R8",
    "UNP:Q383S0",
    "UNP:Q383Y5",
    "UNP:Q384B8",
    "UNP:Q384K3",
    "UNP:Q384L6",
    "UNP:Q384Q0",
    "UNP:Q384Q9",
    "UNP:Q384U1",
    "UNP:Q385B6",
    "UNP:Q385C3",
    "UNP:Q385D2",
    "UNP:Q385G1",
    "UNP:Q385L7",
    "UNP:Q385R8",
    "UNP:Q385S6",
    "UNP:Q385T0",
    "UNP:Q385W2",
    "UNP:Q385W9",
    "UNP:Q386B4",
    "UNP:Q386C6",
    "UNP:Q386D5",
    "UNP:Q386E1",
    "UNP:Q386E6",
    "UNP:Q386H5",
    "UNP:Q386I6",
    "UNP:Q386N1",
    "UNP:Q386N3",
    "UNP:Q386Q6",
    "UNP:Q386T2",
    "UNP:Q387A9",
    "UNP:Q387D7",
    "UNP:Q387J0",
    "UNP:Q387J1",
    "UNP:Q387S8",
    "UNP:Q38834",
    "UNP:Q388A8",
    "UNP:Q388E6",
    "UNP:Q388F2",
    "UNP:Q388F3",
    "UNP:Q388T6",
    "UNP:Q389G1",
    "UNP:Q389L4",
    "UNP:Q389U0",
    "UNP:Q389Z3",
    "UNP:Q38AA2",
    "UNP:Q38AG1",
    "UNP:Q38AH6",
    "UNP:Q38AJ5",
    "UNP:Q38AQ1",
    "UNP:Q38AR7",
    "UNP:Q38AT9",
    "UNP:Q38AV7",
    "UNP:Q38AX1",
    "UNP:Q38B68",
    "UNP:Q38BD2",
    "UNP:Q38BT0",
    "UNP:Q38C25",
    "UNP:Q38C84",
    "UNP:Q38CH5",
    "UNP:Q38CI8",
    "UNP:Q38CZ5",
    "UNP:Q38D18",
    "UNP:Q38DD2",
    "UNP:Q38DQ0",
    "UNP:Q38DR1",
    "UNP:Q38DX5",
    "UNP:Q38E08",
    "UNP:Q38E94",
    "UNP:Q38EE4",
    "UNP:Q38EM7",
    "UNP:Q38F11",
    "UNP:Q38F14",
    "UNP:Q38FG8",
    "UNP:Q38FI6",
    "UNP:Q38FJ3",
    "UNP:Q38FW7",
    "UNP:Q39002",
    "UNP:Q39VU7",
    "UNP:Q3ACS5",
    "UNP:Q3AET8",
    "UNP:Q3AET9",
    "UNP:Q3E792",
    "UNP:Q3E7B6",
    "UNP:Q3E7C1",
    "UNP:Q3E7X9",
    "UNP:Q3E7Y3",
    "UNP:Q3MHL7",
    "UNP:Q3MHR7",
    "UNP:Q3SYX9",
    "UNP:Q3T035",
    "UNP:Q3T084",
    "UNP:Q3T0K2",
    "UNP:Q3TSA9",
    "UNP:Q3UIU2",
    "UNP:Q3ZBH0",
    "UNP:Q3ZBI7",
    "UNP:Q3ZC07",
    "UNP:Q3ZC23",
    "UNP:Q3ZCI9",
    "UNP:Q41365",
    "UNP:Q41460",
    "UNP:Q44501",
    "UNP:Q45618",
    "UNP:Q45619",
    "UNP:Q45QX3",
    "UNP:Q45QX4",
    "UNP:Q45QX5",
    "UNP:Q45QX6",
    "UNP:Q460N5",
    "UNP:Q46666",
    "UNP:Q46E79",
    "UNP:Q47526",
    "UNP:Q47527",
    "UNP:Q49AH0",
    "UNP:Q4E4E1",
    "UNP:Q4FKD8",
    "UNP:Q4FKF9",
    "UNP:Q4FQF7",
    "UNP:Q4GYG0",
    "UNP:Q4GYY5",
    "UNP:Q4GYY6",
    "UNP:Q4GZ80",
    "UNP:Q4GZB9",
    "UNP:Q4H132",
    "UNP:Q4J9L0",
    "UNP:Q4KCB1",
    "UNP:Q4LDE7",
    "UNP:Q4Q1U0",
    "UNP:Q4Q4I6",
    "UNP:Q4Q7A6",
    "UNP:Q4VC05",
    "UNP:Q4VT52",
    "UNP:Q4YU79",
    "UNP:Q504T8",
    "UNP:Q51426",
    "UNP:Q51664",
    "UNP:Q52437",
    "UNP:Q53HV2",
    "UNP:Q53W83",
    "UNP:Q548M1",
    "UNP:Q55707",
    "UNP:Q56187",
    "UNP:Q56310",
    "UNP:Q56313",
    "UNP:Q56403",
    "UNP:Q56404",
    "UNP:Q57600",
    "UNP:Q57U79",
    "UNP:Q57UH4",
    "UNP:Q57UM2",
    "UNP:Q57UP0",
    "UNP:Q57UW1",
    "UNP:Q57UW5",
    "UNP:Q57UY7",
    "UNP:Q57UZ3",
    "UNP:Q57V66",
    "UNP:Q57VE0",
    "UNP:Q57VI3",
    "UNP:Q57VS8",
    "UNP:Q57VT0",
    "UNP:Q57VT8",
    "UNP:Q57VW3",
    "UNP:Q57VZ5",
    "UNP:Q57WA5",
    "UNP:Q57WF8",
    "UNP:Q57WH1",
    "UNP:Q57WL0",
    "UNP:Q57WR9",
    "UNP:Q57WW5",
    "UNP:Q57WW9",
    "UNP:Q57WX6",
    "UNP:Q57X62",
    "UNP:Q57X67",
    "UNP:Q57XA3",
    "UNP:Q57XA7",
    "UNP:Q57XG0",
    "UNP:Q57XR1",
    "UNP:Q57Y89",
    "UNP:Q57YF0",
    "UNP:Q57YM4",
    "UNP:Q57YM5",
    "UNP:Q57YY3",
    "UNP:Q57YY8",
    "UNP:Q57Z34",
    "UNP:Q57Z84",
    "UNP:Q57ZB2",
    "UNP:Q57ZC1",
    "UNP:Q57ZE2",
    "UNP:Q57ZE4",
    "UNP:Q57ZF2",
    "UNP:Q57ZK0",
    "UNP:Q57ZL7",
    "UNP:Q57ZM3",
    "UNP:Q57ZM4",
    "UNP:Q57ZR3",
    "UNP:Q57ZW1",
    "UNP:Q57ZW9",
    "UNP:Q57ZX1",
    "UNP:Q57ZZ4",
    "UNP:Q580D2",
    "UNP:Q580G7",
    "UNP:Q580P9",
    "UNP:Q580R4",
    "UNP:Q581Q7",
    "UNP:Q581Q9",
    "UNP:Q581X0",
    "UNP:Q58206",
    "UNP:Q582D8",
    "UNP:Q582I1",
    "UNP:Q582N6",
    "UNP:Q582T1",
    "UNP:Q582U4",
    "UNP:Q583F4",
    "UNP:Q583F5",
    "UNP:Q583R2",
    "UNP:Q583U4",
    "UNP:Q583W1",
    "UNP:Q58504",
    "UNP:Q585K5",
    "UNP:Q585P4",
    "UNP:Q585T0",
    "UNP:Q585U4",
    "UNP:Q58663",
    "UNP:Q586H1",
    "UNP:Q586H5",
    "UNP:Q586S4",
    "UNP:Q586W0",
    "UNP:Q586W1",
    "UNP:Q587B8",
    "UNP:Q587C7",
    "UNP:Q587G2",
    "UNP:Q58933",
    "UNP:Q58987",
    "UNP:Q58CQ2",
    "UNP:Q59263",
    "UNP:Q59TV7",
    "UNP:Q5CPP8",
    "UNP:Q5CR64",
    "UNP:Q5CRJ8",
    "UNP:Q5E9E2",
    "UNP:Q5EB76",
    "UNP:Q5FM28",
    "UNP:Q5FVI6",
    "UNP:Q5H614",
    "UNP:Q5HEB7",
    "UNP:Q5HFV4",
    "UNP:Q5JD03",
    "UNP:Q5JDA3",
    "UNP:Q5JFV9",
    "UNP:Q5JFW0",
    "UNP:Q5JHL5",
    "UNP:Q5JHP7",
    "UNP:Q5JIH3",
    "UNP:Q5JIH4",
    "UNP:Q5JIT1",
    "UNP:Q5JVF3",
    "UNP:Q5KUJ2",
    "UNP:Q5KWD0",
    "UNP:Q5KWZ7",
    "UNP:Q5L3D5",
    "UNP:Q5M2B1",
    "UNP:Q5M4V7",
    "UNP:Q5M4V8",
    "UNP:Q5M7T6",
    "UNP:Q5NF76",
    "UNP:Q5NGE8",
    "UNP:Q5RL73",
    "UNP:Q5S3G4",
    "UNP:Q5S6Z9",
    "UNP:Q5SH92",
    "UNP:Q5SHR6",
    "UNP:Q5SHU3",
    "UNP:Q5SHX3",
    "UNP:Q5SHZ3",
    "UNP:Q5SIT5",
    "UNP:Q5SIT6",
    "UNP:Q5SIT7",
    "UNP:Q5SJ55",
    "UNP:Q5SJE9",
    "UNP:Q5SJX7",
    "UNP:Q5SL35",
    "UNP:Q5SL87",
    "UNP:Q5SLS9",
    "UNP:Q5SLV5",
    "UNP:Q5SMH8",
    "UNP:Q5TCY1",
    "UNP:Q5U3W1",
    "UNP:Q5U925",
    "UNP:Q5UXY6",
    "UNP:Q5XF05",
    "UNP:Q5ZSB6",
    "UNP:Q5ZVQ3",
    "UNP:Q5ZWW6",
    "UNP:Q5ZY30",
    "UNP:Q60381",
    "UNP:Q60598",
    "UNP:Q60I59",
    "UNP:Q61743",
    "UNP:Q63563",
    "UNP:Q64520",
    "UNP:Q64536",
    "UNP:Q64LD2",
    "UNP:Q65D11",
    "UNP:Q68CP9",
    "UNP:Q6AW42",
    "UNP:Q6AXS4",
    "UNP:Q6AZJ8",
    "UNP:Q6B856",
    "UNP:Q6B966",
    "UNP:Q6BSM0",
    "UNP:Q6DKI1",
    "UNP:Q6F2Y7",
    "UNP:Q6FK23",
    "UNP:Q6FS46",
    "UNP:Q6GFF9",
    "UNP:Q6IQ55",
    "UNP:Q6J4H1",
    "UNP:Q6KHJ1",
    "UNP:Q6KHS6",
    "UNP:Q6KIC3",
    "UNP:Q6KIC4",
    "UNP:Q6KIC7",
    "UNP:Q6KIC8",
    "UNP:Q6LTE1",
    "UNP:Q6LX38",
    "UNP:Q6NXR4",
    "UNP:Q6NZY4",
    "UNP:Q6P1M3",
    "UNP:Q6P2Q9",
    "UNP:Q6P503",
    "UNP:Q6P5Q4",
    "UNP:Q6P5S7",
    "UNP:Q6P9B6",
    "UNP:Q6PCU2",
    "UNP:Q6PI98",
    "UNP:Q6PIW4",
    "UNP:Q6PL18",
    "UNP:Q6QA25",
    "UNP:Q6QAQ1",
    "UNP:Q6QLM7",
    "UNP:Q6R327",
    "UNP:Q6R837",
    "UNP:Q6RFH5",
    "UNP:Q6TC59",
    "UNP:Q6WRY5",
    "UNP:Q6ZNE5",
    "UNP:Q6ZQJ5",
    "UNP:Q6ZRS2",
    "UNP:Q6ZYL4",
    "UNP:Q70IY1",
    "UNP:Q70Q12",
    "UNP:Q716H3",
    "UNP:Q71DI3",
    "UNP:Q71K68",
    "UNP:Q72H90",
    "UNP:Q72J04",
    "UNP:Q72J05",
    "UNP:Q74MJ7",
    "UNP:Q74MS5",
    "UNP:Q74ZE6",
    "UNP:Q767L7",
    "UNP:Q79PF4",
    "UNP:Q79V60",
    "UNP:Q79V61",
    "UNP:Q7A2Q0",
    "UNP:Q7BGE6",
    "UNP:Q7CR81",
    "UNP:Q7IIB7",
    "UNP:Q7L2H7",
    "UNP:Q7LL14",
    "UNP:Q7M537",
    "UNP:Q7NWW7",
    "UNP:Q7RTN6",
    "UNP:Q7TFF7",
    "UNP:Q7TMF3",
    "UNP:Q7VD37",
    "UNP:Q7VD38",
    "UNP:Q7VD39",
    "UNP:Q7W867",
    "UNP:Q7XJ80",
    "UNP:Q7Z406",
    "UNP:Q7Z8P9",
    "UNP:Q83EV9",
    "UNP:Q85JD5",
    "UNP:Q86U86",
    "UNP:Q86WC4",
    "UNP:Q86WJ1",
    "UNP:Q86Y01",
    "UNP:Q89269",
    "UNP:Q8A013",
    "UNP:Q8AAN6",
    "UNP:Q8BGV8",
    "UNP:Q8BI38",
    "UNP:Q8BK30",
    "UNP:Q8C2W8",
    "UNP:Q8CGK5",
    "UNP:Q8CVD0",
    "UNP:Q8D0U0",
    "UNP:Q8DQ84",
    "UNP:Q8DQH4",
    "UNP:Q8DV44",
    "UNP:Q8EP31",
    "UNP:Q8F424",
    "UNP:Q8G9G1",
    "UNP:Q8GF97",
    "UNP:Q8HXQ5",
    "UNP:Q8I4S1",
    "UNP:Q8I4W8",
    "UNP:Q8I4X0",
    "UNP:Q8IC05",
    "UNP:Q8IDI4",
    "UNP:Q8IDR3",
    "UNP:Q8IIS0",
    "UNP:Q8IJM4",
    "UNP:Q8IJP3",
    "UNP:Q8ILW9",
    "UNP:Q8IM71",
    "UNP:Q8IUD6",
    "UNP:Q8IWZ8",
    "UNP:Q8IY81",
    "UNP:Q8IYB8",
    "UNP:Q8JJ25",
    "UNP:Q8JQF8",
    "UNP:Q8K3J1",
    "UNP:Q8K3V4",
    "UNP:Q8L794",
    "UNP:Q8N5F7",
    "UNP:Q8NB49",
    "UNP:Q8NBU5",
    "UNP:Q8NC51",
    "UNP:Q8NEB9",
    "UNP:Q8NFU5",
    "UNP:Q8NI77",
    "UNP:Q8NQE1",
    "UNP:Q8NVG0",
    "UNP:Q8PY99",
    "UNP:Q8R2H0",
    "UNP:Q8R4B8",
    "UNP:Q8R5F7",
    "UNP:Q8RQE7",
    "UNP:Q8RQE8",
    "UNP:Q8RQE9",
    "UNP:Q8SPJ9",
    "UNP:Q8TAQ2",
    "UNP:Q8TAT6",
    "UNP:Q8TCX1",
    "UNP:Q8TDD1",
    "UNP:Q8TDN6",
    "UNP:Q8TDX7",
    "UNP:Q8TJ89",
    "UNP:Q8TJ90",
    "UNP:Q8TJ91",
    "UNP:Q8TJ92",
    "UNP:Q8TX37",
    "UNP:Q8TZ25",
    "UNP:Q8TZJ7",
    "UNP:Q8U0R7",
    "UNP:Q8U1S6",
    "UNP:Q8U306",
    "UNP:Q8U3I1",
    "UNP:Q8U3I4",
    "UNP:Q8VDF2",
    "UNP:Q8VHK9",
    "UNP:Q8VQG1",
    "UNP:Q8WTT2",
    "UNP:Q8WUB8",
    "UNP:Q8WUD4",
    "UNP:Q8WUQ7",
    "UNP:Q8WVB6",
    "UNP:Q8WVS4",
    "UNP:Q8WYK0",
    "UNP:Q8YZH5",
    "UNP:Q8ZIE7",
    "UNP:Q8ZYK1",
    "UNP:Q91VD9",
    "UNP:Q91WD5",
    "UNP:Q91YD9",
    "UNP:Q91YR1",
    "UNP:Q91YT0",
    "UNP:Q92133",
    "UNP:Q92352",
    "UNP:Q923J1",
    "UNP:Q92620",
    "UNP:Q92759",
    "UNP:Q92841",
    "UNP:Q92878",
    "UNP:Q92887",
    "UNP:Q92890",
    "UNP:Q92900",
    "UNP:Q92SA6",
    "UNP:Q93050",
    "UNP:Q93077",
    "UNP:Q93100",
    "UNP:Q939D2",
    "UNP:Q93ET9",
    "UNP:Q93YN9",
    "UNP:Q94464",
    "UNP:Q94707",
    "UNP:Q94AT3",
    "UNP:Q94M05",
    "UNP:Q950X9",
    "UNP:Q950Y0",
    "UNP:Q950Y2",
    "UNP:Q950Y3",
    "UNP:Q950Y4",
    "UNP:Q950Y6",
    "UNP:Q950Y7",
    "UNP:Q950Y8",
    "UNP:Q950Y9",
    "UNP:Q950Z0",
    "UNP:Q950Z1",
    "UNP:Q950Z3",
    "UNP:Q950Z4",
    "UNP:Q950Z5",
    "UNP:Q950Z7",
    "UNP:Q951A3",
    "UNP:Q951A5",
    "UNP:Q951A7",
    "UNP:Q951B1",
    "UNP:Q951B2",
    "UNP:Q951B4",
    "UNP:Q951C1",
    "UNP:Q951C2",
    "UNP:Q95339",
    "UNP:Q969G3",
    "UNP:Q969G6",
    "UNP:Q96A72",
    "UNP:Q96BP3",
    "UNP:Q96C10",
    "UNP:Q96CT7",
    "UNP:Q96DF8",
    "UNP:Q96DI7",
    "UNP:Q96EP1",
    "UNP:Q96EX3",
    "UNP:Q96F24",
    "UNP:Q96GM5",
    "UNP:Q96IZ5",
    "UNP:Q96JH7",
    "UNP:Q96L21",
    "UNP:Q96L91",
    "UNP:Q96P20",
    "UNP:Q96QE3",
    "UNP:Q96QZ7",
    "UNP:Q96RS0",
    "UNP:Q96SB4",
    "UNP:Q96XN9",
    "UNP:Q96Y14",
    "UNP:Q970U6",
    "UNP:Q976J8",
    "UNP:Q97CA5",
    "UNP:Q97F65",
    "UNP:Q97UL5",
    "UNP:Q97UY8",
    "UNP:Q97XZ3",
    "UNP:Q97Y08",
    "UNP:Q980K5",
    "UNP:Q981B3",
    "UNP:Q99181",
    "UNP:Q99207",
    "UNP:Q99216",
    "UNP:Q99436",
    "UNP:Q99437",
    "UNP:Q99459",
    "UNP:Q99460",
    "UNP:Q99471",
    "UNP:Q99570",
    "UNP:Q99613",
    "UNP:Q99661",
    "UNP:Q99832",
    "UNP:Q99848",
    "UNP:Q99933",
    "UNP:Q99AU2",
    "UNP:Q99IB8",
    "UNP:Q99LC3",
    "UNP:Q99LY9",
    "UNP:Q9ATK5",
    "UNP:Q9BE39",
    "UNP:Q9BPV8",
    "UNP:Q9BPX5",
    "UNP:Q9BPZ7",
    "UNP:Q9BQE9",
    "UNP:Q9BR76",
    "UNP:Q9BRS2",
    "UNP:Q9BRT6",
    "UNP:Q9BRT9",
    "UNP:Q9BRX5",
    "UNP:Q9BTE1",
    "UNP:Q9BU76",
    "UNP:Q9BUN8",
    "UNP:Q9BVA6",
    "UNP:Q9BVC4",
    "UNP:Q9BVG8",
    "UNP:Q9BVP2",
    "UNP:Q9BW19",
    "UNP:Q9BW85",
    "UNP:Q9BXM7",
    "UNP:Q9BXY0",
    "UNP:Q9BYG3",
    "UNP:Q9BYN0",
    "UNP:Q9BYX4",
    "UNP:Q9BZ23",
    "UNP:Q9BZE4",
    "UNP:Q9BZE9",
    "UNP:Q9BZJ0",
    "UNP:Q9BZV1",
    "UNP:Q9BZX2",
    "UNP:Q9C086",
    "UNP:Q9C6D2",
    "UNP:Q9C7X0",
    "UNP:Q9CHQ7",
    "UNP:Q9CIV6",
    "UNP:Q9CIV7",
    "UNP:Q9CPP6",
    "UNP:Q9CPU2",
    "UNP:Q9CQ54",
    "UNP:Q9CQ75",
    "UNP:Q9CQ91",
    "UNP:Q9CQC7",
    "UNP:Q9CQH3",
    "UNP:Q9CQJ8",
    "UNP:Q9CQY9",
    "UNP:Q9CQZ5",
    "UNP:Q9CQZ6",
    "UNP:Q9CR21",
    "UNP:Q9CR61",
    "UNP:Q9CWE6",
    "UNP:Q9CWU5",
    "UNP:Q9CXZ1",
    "UNP:Q9CZP5",
    "UNP:Q9D0L1",
    "UNP:Q9D6J5",
    "UNP:Q9D6J6",
    "UNP:Q9DC28",
    "UNP:Q9DC69",
    "UNP:Q9DC70",
    "UNP:Q9DCJ5",
    "UNP:Q9DCS9",
    "UNP:Q9DCT2",
    "UNP:Q9ERS2",
    "UNP:Q9F1X5",
    "UNP:Q9FD68",
    "UNP:Q9FFC0",
    "UNP:Q9FHN8",
    "UNP:Q9FJE8",
    "UNP:Q9FJW0",
    "UNP:Q9FMR9",
    "UNP:Q9GPE9",
    "UNP:Q9GS23",
    "UNP:Q9GV45",
    "UNP:Q9GZL7",
    "UNP:Q9GZN1",
    "UNP:Q9H040",
    "UNP:Q9H078",
    "UNP:Q9H0Q3",
    "UNP:Q9H2F5",
    "UNP:Q9H2H8",
    "UNP:Q9H2J4",
    "UNP:Q9H2K8",
    "UNP:Q9H3D4",
    "UNP:Q9H477",
    "UNP:Q9H479",
    "UNP:Q9H4L7",
    "UNP:Q9H6L4",
    "UNP:Q9H6T3",
    "UNP:Q9H6Y2",
    "UNP:Q9H875",
    "UNP:Q9H8M5",
    "UNP:Q9H8W3",
    "UNP:Q9H999",
    "UNP:Q9H9F9",
    "UNP:Q9H9Y2",
    "UNP:Q9HAQ2",
    "UNP:Q9HBD4",
    "UNP:Q9HCG8",
    "UNP:Q9HCS7",
    "UNP:Q9HD67",
    "UNP:Q9HIN1",
    "UNP:Q9HLX1",
    "UNP:Q9HTM2",
    "UNP:Q9HTZ2",
    "UNP:Q9HVW9",
    "UNP:Q9HVZ9",
    "UNP:Q9HWI0",
    "UNP:Q9HYR9",
    "UNP:Q9HZN8",
    "UNP:Q9I0M3",
    "UNP:Q9I1S4",
    "UNP:Q9I2U0",
    "UNP:Q9I2U1",
    "UNP:Q9I5Q5",
    "UNP:Q9I5U7",
    "UNP:Q9I6W1",
    "UNP:Q9I6W2",
    "UNP:Q9I747",
    "UNP:Q9JJ59",
    "UNP:Q9JLV6",
    "UNP:Q9JYY3",
    "UNP:Q9JZ38",
    "UNP:Q9KQI2",
    "UNP:Q9KR72",
    "UNP:Q9KS45",
    "UNP:Q9KVJ4",
    "UNP:Q9KVJ5",
    "UNP:Q9L422",
    "UNP:Q9L714",
    "UNP:Q9LCT6",
    "UNP:Q9LD28",
    "UNP:Q9LEW8",
    "UNP:Q9LJX0",
    "UNP:Q9LVM1",
    "UNP:Q9M2V7",
    "UNP:Q9M426",
    "UNP:Q9M7K4",
    "UNP:Q9MYT8",
    "UNP:Q9NJP9",
    "UNP:Q9NP58",
    "UNP:Q9NP97",
    "UNP:Q9NPF5",
    "UNP:Q9NPI1",
    "UNP:Q9NQ11",
    "UNP:Q9NQG6",
    "UNP:Q9NQP4",
    "UNP:Q9NQT8",
    "UNP:Q9NQX4",
    "UNP:Q9NR30",
    "UNP:Q9NRF8",
    "UNP:Q9NRZ9",
    "UNP:Q9NUN5",
    "UNP:Q9NV96",
    "UNP:Q9NVP1",
    "UNP:Q9NW64",
    "UNP:Q9NW82",
    "UNP:Q9NWW6",
    "UNP:Q9NX46",
    "UNP:Q9NXA8",
    "UNP:Q9NXE8",
    "UNP:Q9NXL9",
    "UNP:Q9NYA1",
    "UNP:Q9NYV4",
    "UNP:Q9NZ32",
    "UNP:Q9NZQ3",
    "UNP:Q9P013",
    "UNP:Q9P7N5",
    "UNP:Q9P7R9",
    "UNP:Q9PIB4",
    "UNP:Q9PJ29",
    "UNP:Q9QZ85",
    "UNP:Q9QZQ1",
    "UNP:Q9QZZ4",
    "UNP:Q9R0Q7",
    "UNP:Q9R1M5",
    "UNP:Q9RA63",
    "UNP:Q9RFD6",
    "UNP:Q9RWU4",
    "UNP:Q9RY20",
    "UNP:Q9S745",
    "UNP:Q9SCZ4",
    "UNP:Q9SE33",
    "UNP:Q9SU72",
    "UNP:Q9SUR9",
    "UNP:Q9SVY5",
    "UNP:Q9TDR1",
    "UNP:Q9TVC1",
    "UNP:Q9U1K1",
    "UNP:Q9UBD5",
    "UNP:Q9UBQ5",
    "UNP:Q9UBU7",
    "UNP:Q9UEE9",
    "UNP:Q9UHA3",
    "UNP:Q9UHI6",
    "UNP:Q9UHV9",
    "UNP:Q9UI12",
    "UNP:Q9UII2",
    "UNP:Q9UJA3",
    "UNP:Q9UJW0",
    "UNP:Q9UK45",
    "UNP:Q9UKD2",
    "UNP:Q9ULG1",
    "UNP:Q9ULR0",
    "UNP:Q9ULW0",
    "UNP:Q9UM54",
    "UNP:Q9UM73",
    "UNP:Q9UMS4",
    "UNP:Q9UNM6",
    "UNP:Q9UNN5",
    "UNP:Q9UNP9",
    "UNP:Q9UQ35",
    "UNP:Q9UQ80",
    "UNP:Q9UQ90",
    "UNP:Q9UQE7",
    "UNP:Q9USV3",
    "UNP:Q9USX8",
    "UNP:Q9USZ3",
    "UNP:Q9UUC6",
    "UNP:Q9UUJ1",
    "UNP:Q9UXG1",
    "UNP:Q9UY56",
    "UNP:Q9UZK4",
    "UNP:Q9V118",
    "UNP:Q9V119",
    "UNP:Q9V2L3",
    "UNP:Q9V461",
    "UNP:Q9VBI1",
    "UNP:Q9VGW6",
    "UNP:Q9VJY9",
    "UNP:Q9VNW6",
    "UNP:Q9VQY9",
    "UNP:Q9VUL1",
    "UNP:Q9W0I7",
    "UNP:Q9W2V7",
    "UNP:Q9WMX2",
    "UNP:Q9WTI7",
    "UNP:Q9WTX5",
    "UNP:Q9WV60",
    "UNP:Q9WVB3",
    "UNP:Q9WXM9",
    "UNP:Q9WXZ2",
    "UNP:Q9WY16",
    "UNP:Q9WY78",
    "UNP:Q9WYN2",
    "UNP:Q9WYS8",
    "UNP:Q9WYT9",
    "UNP:Q9WYV0",
    "UNP:Q9WZ49",
    "UNP:Q9WZV7",
    "UNP:Q9WZX7",
    "UNP:Q9WZY5",
    "UNP:Q9X024",
    "UNP:Q9X180",
    "UNP:Q9X1C3",
    "UNP:Q9X1R4",
    "UNP:Q9X1W7",
    "UNP:Q9X4B9",
    "UNP:Q9XFH4",
    "UNP:Q9XGU3",
    "UNP:Q9XYQ1",
    "UNP:Q9XYU0",
    "UNP:Q9XYU1",
    "UNP:Q9Y221",
    "UNP:Q9Y223",
    "UNP:Q9Y230",
    "UNP:Q9Y248",
    "UNP:Q9Y259",
    "UNP:Q9Y262",
    "UNP:Q9Y265",
    "UNP:Q9Y281",
    "UNP:Q9Y2Q0",
    "UNP:Q9Y2R4",
    "UNP:Q9Y333",
    "UNP:Q9Y376",
    "UNP:Q9Y3C1",
    "UNP:Q9Y3C6",
    "UNP:Q9Y3D8",
    "UNP:Q9Y3T9",
    "UNP:Q9Y3U8",
    "UNP:Q9Y421",
    "UNP:Q9Y4R8",
    "UNP:Q9Y4W6",
    "UNP:Q9Y4Y9",
    "UNP:Q9Y4Z0",
    "UNP:Q9Y5A7",
    "UNP:Q9Y5K8",
    "UNP:Q9Y5N6",
    "UNP:Q9Y5S2",
    "UNP:Q9Y5S9",
    "UNP:Q9Y6A5",
    "UNP:Q9Y6E0",
    "UNP:Q9Y7J4",
    "UNP:Q9YFU8",
    "UNP:Q9Z1P6",
    "UNP:Q9ZIE4",
    "UNP:Q9ZKJ5",
    "UNP:Q9ZPX9",
    "UNP:Q9ZSN5",
    "UNP:R8APY9",
    "UNP:S7UQ82",
    "UNP:S7UQT7",
    "UNP:S7UU80",
    "UNP:S7UVZ7",
    "UNP:S7V2T0",
    "UNP:S7V493",
    "UNP:S7VTI0",
    "UNP:S7VV10",
    "UNP:S7VXW3",
    "UNP:S7W180",
    "UNP:S7W7F1",
    "UNP:S7W9J5",
    "UNP:S7WD71",
    "UNP:T2B9G2",
    "UNP:U3KPD5",
    "UNP:U6S0Y1",
    "UNP:V5SNJ5",
    "UNP:V5V921",
    "UNP:V5V9F4",
    "UNP:V5V9K5",
    "UNP:V5VHL3",
    "UNP:W0I5G2",
    "UNP:W7WZP1",
    "UNP:W7X287",
    "UNP:W7X3D6",
    "UNP:W7X4J9",
    "UNP:W7X4R4",
    "UNP:W7XBF5",
    "UNP:W7XCY5",
    "UNP:W7XDM6",
    "UNP:W7XF00",
    "UNP:W7XJB1"
   ]
  },
  {
   "line": 18105,
   "comp_id": "KZU",
   "ikey_connectivity": "MAUGCLAAQLDMTD",
   "smiles": "COCCn1cc(COc2cccc(Cc3cnc(NC(=O)CSc4nc(C)cc(C)n4)s3)c2)nn1",
   "targets": [
    "UNP:Q8IXJ6"
   ]
  },
  {
   "line": 6497,
   "comp_id": "9I4",
   "ikey_connectivity": "PBDFKGPSHQGUAI",
   "smiles": "Cc1ccc2oc(C#Cc3cccc(CN4CCN(CCNC(=O)c5cccc(C#Cc6oc7ccc(C)cc7c6CC(=O)O)c5)CC4)c3)c(CC(=O)O)c2c1",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 559,
   "comp_id": "0YX",
   "ikey_connectivity": "XTZIHTNEICPHNT",
   "smiles": "CCCCCCCCOc1cccc(COc2ccc(Br)cc2P(=O)(O)O)c1",
   "targets": [
    "UNP:P60472"
   ]
  },
  {
   "line": 25404,
   "comp_id": "WDT",
   "ikey_connectivity": "MPJBDZGASMKZSN",
   "smiles": "O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)cc1O",
   "targets": [
    "UNP:P42330"
   ]
  },
  {
   "line": 267,
   "comp_id": "0IH",
   "ikey_connectivity": "QEUYHIXZYKDJGM",
   "smiles": "O=C(O)C(Cc1ccc(Cl)cc1)Cn1c(-c2ccc(Cl)s2)nc2ccc(-c3ccccc3-c3nnn[nH]3)cc2c1=O",
   "targets": [
    "UNP:P08515"
   ]
  },
  {
   "line": 17821,
   "comp_id": "KLD",
   "ikey_connectivity": "ASCMQTSVWSFRKT",
   "smiles": "Cc1cc(N)nc(CCc2cc(F)cc(CCC3CC(F)CN3C)c2)c1",
   "targets": [
    "UNP:P29474",
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 17376,
   "comp_id": "JYO",
   "ikey_connectivity": "WTGCKCDNZFLRCX",
   "smiles": "NCCC1CN=C(O)c2cc(-c3cccc(OC(F)(F)F)c3)c(-c3ccccc3)n21",
   "targets": [
    "UNP:P11309"
   ]
  },
  {
   "line": 2008,
   "comp_id": "35N",
   "ikey_connectivity": "",
   "smiles": "c1cc[n-](->[Cu](<-[n-]2cccc2)(<-[n-]2cccc2)<-[n-]2cccc2)c1",
   "targets": [
    "UNP:O73948"
   ]
  },
  {
   "line": 24893,
   "comp_id": "VIM",
   "ikey_connectivity": "XDDFAQWRNVXRFE",
   "smiles": "O=C(O)c1c(Cl)cccc1Oc1ccc(F)cc1",
   "targets": [
    "UNP:Q96MU7"
   ]
  },
  {
   "line": 16470,
   "comp_id": "IRE",
   "ikey_connectivity": "XGALLCVXEZPNRQ",
   "smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1",
   "targets": [
    "UNP:P00533",
    "UNP:Q13418",
    "UNP:Q9NVD7"
   ]
  },
  {
   "line": 13798,
   "comp_id": "EP4",
   "ikey_connectivity": "SLNWRDWGFHZRAQ",
   "smiles": "CN(C)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q8TEK3"
   ]
  },
  {
   "line": 14255,
   "comp_id": "FEW",
   "ikey_connectivity": "IUGBGEUCXVKGQK",
   "smiles": "CC(C)c1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12",
   "targets": [
    "UNP:Q08345"
   ]
  },
  {
   "line": 8375,
   "comp_id": "A1C6V",
   "ikey_connectivity": "HSIJRTUBQBABIM",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(CNC2=CC(C(=O)O)CC2C(F)F)c1O",
   "targets": [
    "UNP:P04181"
   ]
  },
  {
   "line": 5163,
   "comp_id": "7OI",
   "ikey_connectivity": "PSRAECSNIYRUSM",
   "smiles": "O=S(=O)(C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCc2ccccc2)cc1",
   "targets": [
    "UNP:P03372"
   ]
  },
  {
   "line": 17435,
   "comp_id": "K1Q",
   "ikey_connectivity": "UAIXEGFVIVPDNH",
   "smiles": "COc1ccc(C2=NN(C(C)C)C(=O)C3CC=CCC23)cc1C#CC(=O)NCCc1ccccc1F",
   "targets": [
    "UNP:Q8WQX9"
   ]
  },
  {
   "line": 4726,
   "comp_id": "74V",
   "ikey_connectivity": "GCBMAJYEAKERQU",
   "smiles": "CCN(C(=O)c1cnc(C)nc1NCc1ccco1)C1CCCNC1",
   "targets": [
    "UNP:P00797"
   ]
  },
  {
   "line": 3192,
   "comp_id": "50V",
   "ikey_connectivity": "JCINBYQJBYJGDM",
   "smiles": "CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21",
   "targets": [
    "UNP:O60674"
   ]
  },
  {
   "line": 23560,
   "comp_id": "TGT",
   "ikey_connectivity": "UVAAUIDYGIWLMB",
   "smiles": "CC(=O)OC1C(N)C(OP(=O)(O)O)C2(C(=O)O)CSC(O)(C(N)=O)C1O2",
   "targets": [
    "UNP:Q5SKW1",
    "UNP:Q8RQE7",
    "UNP:Q8RQE8",
    "UNP:Q8RQE9",
    "UNP:Q9Z9H6"
   ]
  },
  {
   "line": 25985,
   "comp_id": "X86",
   "ikey_connectivity": "IRKLIGPGIXNXTP",
   "smiles": "COCCCNc1cc(NCc2cccnc2)c(C(N)=O)cc1[N+](=O)[O-]",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 15328,
   "comp_id": "GZF",
   "ikey_connectivity": "QJXJXBXFIOTYHB",
   "smiles": "Nc1nc(O)c2ncn(C3OC(COP(=O)(O)OP(O)(O)=S)C(O)C3O)c2n1",
   "targets": [
    "UNP:Q7A4T2"
   ]
  },
  {
   "line": 13287,
   "comp_id": "E0L",
   "ikey_connectivity": "YSERSASIIDQYQM",
   "smiles": "CNc1cccc2cc(C(=O)Nc3cccc(C(=O)O)c3)c(=O)[nH]c12",
   "targets": [
    "UNP:P0AES6"
   ]
  },
  {
   "line": 23027,
   "comp_id": "SK4",
   "ikey_connectivity": "SEAXCOHUTXPNQE",
   "smiles": "COc1cccc(Nc2c(C(N)=O)cnc3ccc(S(C)(=O)=O)cc23)c1",
   "targets": [
    "UNP:Q07343"
   ]
  },
  {
   "line": 15562,
   "comp_id": "H9Z",
   "ikey_connectivity": "CZIVVJNETCQZQP",
   "smiles": "CN1CCCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1",
   "targets": [
    "UNP:Q16875"
   ]
  },
  {
   "line": 1980,
   "comp_id": "33Z",
   "ikey_connectivity": "SYQCJJZICSZGRU",
   "smiles": "CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)P(=O)(O)CC(C(=O)O)c1cccc(NC(=N)N)c1",
   "targets": [
    "UNP:P09955"
   ]
  },
  {
   "line": 1703,
   "comp_id": "2PM",
   "ikey_connectivity": "ZZVUWRFHKOJYTH",
   "smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1",
   "targets": [
    "UNP:O15245",
    "UNP:P08173",
    "UNP:P50135",
    "UNP:P54311",
    "UNP:P59768"
   ]
  },
  {
   "line": 1758,
   "comp_id": "2SF",
   "ikey_connectivity": "AUWUGRCKTQSGJY",
   "smiles": "N#Cc1ccc(OCCCN2CCC(C(N)(c3ccccc3)C3CCCC3)CC2)cc1",
   "targets": [
    "UNP:O00255"
   ]
  },
  {
   "line": 287,
   "comp_id": "0JH",
   "ikey_connectivity": "YQNJEMHLWSEPFO",
   "smiles": "Cc1ccc(-c2c(CC(C#N)C(=O)OC(C)(C)C)n(CCCO)c3ncnc(N)c23)cc1",
   "targets": [
    "UNP:P51812"
   ]
  },
  {
   "line": 9006,
   "comp_id": "A1EB6",
   "ikey_connectivity": "IVNKNENACCYEJS",
   "smiles": "CC1(C)C2=CC(=[N+]3C4CCC3COC4)C=CC2=C(c2cc(C(=O)NCCOCCOCCCCCCCl)ccc2C(=O)O)c2ccc(N3C4CCC3COC4)cc21",
   "targets": [
    "UNP:P0A3G3"
   ]
  },
  {
   "line": 5546,
   "comp_id": "86D",
   "ikey_connectivity": "MXUSGDMIHGLCNC",
   "smiles": "N#Cc1cc(F)cc(Oc2ccc(S(=O)(=O)C(F)F)c3c2CC(F)(F)C3O)c1",
   "targets": [
    "UNP:P27540",
    "UNP:Q99814"
   ]
  },
  {
   "line": 25406,
   "comp_id": "WDX",
   "ikey_connectivity": "HBSLSZOJAXYBQI",
   "smiles": "Cc1ccc2[nH]c(C(=O)N3CCC(CCO)CC3)cc2c1",
   "targets": [
    "UNP:P42330"
   ]
  },
  {
   "line": 1528,
   "comp_id": "2EI",
   "ikey_connectivity": "XNXURTFOXXUXIA",
   "smiles": "CCC(=O)N1CC(n2cc(-c3ccncc3)c(-c3cccc(OCc4ccc5c(c4)CN(C)C5=O)c3)n2)CC1C",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 26218,
   "comp_id": "XKB",
   "ikey_connectivity": "PHVKAGZMQNJNJY",
   "smiles": "Nc1nc2c(ncn2C2OC(COC(=O)NCCc3c[nH]c4ccccc34)C(O)C2O)c2nccn12",
   "targets": [
    "UNP:P49773"
   ]
  },
  {
   "line": 5102,
   "comp_id": "7LH",
   "ikey_connectivity": "RLGFSACCIOSKQS",
   "smiles": "O=C(CCc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O",
   "targets": [
    "UNP:P39912"
   ]
  },
  {
   "line": 19457,
   "comp_id": "N70",
   "ikey_connectivity": "ZGISWAPMFGULSM",
   "smiles": "Cc1cc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)n1",
   "targets": [
    "UNP:O00299"
   ]
  },
  {
   "line": 5374,
   "comp_id": "7YA",
   "ikey_connectivity": "DDFTUZONFSKIPC",
   "smiles": "CC(O)C(=O)NCc1cccc(-n2ncc(-c3cc4cnccc4[nH]3)c2O)c1",
   "targets": [
    "UNP:P08709"
   ]
  },
  {
   "line": 22742,
   "comp_id": "S44",
   "ikey_connectivity": "GUFHDBFHNDUDJA",
   "smiles": "CCCOc1ccc(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1",
   "targets": [
    "UNP:Q07869"
   ]
  },
  {
   "line": 917,
   "comp_id": "1HQ",
   "ikey_connectivity": "ZQBDXEARYNLKKR",
   "smiles": "N#Cc1ccc(C(=O)Nc2ccc(F)c(C3(C(F)F)CCOC(N)=N3)c2)nc1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 11936,
   "comp_id": "BTH",
   "ikey_connectivity": "FDQYFIJPZTYCIY",
   "smiles": "CC(=O)C(CC(=O)O)NC(=O)C(CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)c1cccs1",
   "targets": [
    "UNP:P29466"
   ]
  },
  {
   "line": 1303,
   "comp_id": "21X",
   "ikey_connectivity": "ZOJIHHOGTNVURO",
   "smiles": "NCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1",
   "targets": [
    "UNP:P43912"
   ]
  },
  {
   "line": 24397,
   "comp_id": "USW",
   "ikey_connectivity": "JBIHRNOVJUJFLI",
   "smiles": "O=Cc1ccc(S(=O)(=O)N2CCOc3cc(Cl)ccc32)cc1",
   "targets": [
    "UNP:P31947",
    "UNP:Q04206"
   ]
  },
  {
   "line": 1631,
   "comp_id": "2KH",
   "ikey_connectivity": "OZIBFYOFLVBDIY",
   "smiles": "O=c1ccn(C2OC(COP(=O)(O)NP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1",
   "targets": [
    "UNP:A0A345ILN6",
    "UNP:A0A3S8NV63",
    "UNP:A0R5T1",
    "UNP:G2SLH8",
    "UNP:H6QM90",
    "UNP:H6QM91",
    "UNP:H6QM92",
    "UNP:I0DF35",
    "UNP:M9TI86",
    "UNP:M9TLW3",
    "UNP:O13833",
    "UNP:P0DSP3",
    "UNP:P24928",
    "UNP:Q5VYS8",
    "UNP:Q6A562",
    "UNP:Q6TQR6",
    "UNP:Q88QT2",
    "UNP:Q8WQX5",
    "UNP:Q9NP87",
    "UNP:Q9VI58",
    "UNP:U3GU88",
    "UNP:X5F427"
   ]
  },
  {
   "line": 15990,
   "comp_id": "I0G",
   "ikey_connectivity": "XIESSJVMWNJCGZ",
   "smiles": "Oc1ccc(C2Oc3ccc(O)cc3C3CCCC32)cc1",
   "targets": [
    "UNP:Q92731"
   ]
  },
  {
   "line": 22102,
   "comp_id": "R6N",
   "ikey_connectivity": "MJSHVHLADKXCML",
   "smiles": "CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn(C3CCC(O)CC3)c2n1",
   "targets": [
    "UNP:Q12866"
   ]
  },
  {
   "line": 3040,
   "comp_id": "4SY",
   "ikey_connectivity": "SASAIIBKYJIJKV",
   "smiles": "Cn1cc(-c2ccc(C(NC(=O)OC(C)(C)C)C(=O)NO)cc2)cn1",
   "targets": [
    "UNP:O96935"
   ]
  },
  {
   "line": 22419,
   "comp_id": "RMU",
   "ikey_connectivity": "WARQQVLLUYXXAU",
   "smiles": "Cc1oc(C(N)=O)cc1S(=O)(=O)Nc1cnc(Cl)c(C#N)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 3068,
   "comp_id": "4UI",
   "ikey_connectivity": "IGIBSWIQIIJZKL",
   "smiles": "O=C(NO)c1ccc(Cn2c3c(c4cc(F)ccc42)SC(c2ccccc2)C3)s1",
   "targets": [
    "UNP:A5H660"
   ]
  },
  {
   "line": 19290,
   "comp_id": "MYF",
   "ikey_connectivity": "ARSRJFRKVXALTF",
   "smiles": "O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12",
   "targets": [
    "UNP:Q9QZL0"
   ]
  },
  {
   "line": 25701,
   "comp_id": "WTG",
   "ikey_connectivity": "HSBCFDIQFPZSGO",
   "smiles": "COc1cc(CCNC(=O)c2[nH]c(-c3ccccc3F)nc(=O)c2O)ccc1O",
   "targets": [
    "UNP:C6H0Y9"
   ]
  },
  {
   "line": 22546,
   "comp_id": "RTS",
   "ikey_connectivity": "CJGIVGQVTPDSHN",
   "smiles": "CNC(=O)CN1CC(C)(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2S1(=O)=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 25514,
   "comp_id": "WJ8",
   "ikey_connectivity": "WZIPDUUXDBOGQV",
   "smiles": "O=c1cc(CCl)[nH]c2nc(-c3ccccc3)nn12",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 6147,
   "comp_id": "918",
   "ikey_connectivity": "LAOJHMTYUJTJTR",
   "smiles": "Nc1cc(C(F)(F)F)c(-c2cc(N3CCCC3)nc(N3CCOCC3)n2)cn1",
   "targets": [
    "UNP:A0A8V0Z8P0",
    "UNP:P63043",
    "UNP:P81947",
    "UNP:Q6B856"
   ]
  },
  {
   "line": 173,
   "comp_id": "0BK",
   "ikey_connectivity": "XXQXCRMADCRFEB",
   "smiles": "COc1cc(C(=O)Nc2ccc(F)c(C3(CF)CCC(C)(S(C)(=O)=O)C(N)=N3)c2)ncn1",
   "targets": [
    "UNP:Q9Y5Z0"
   ]
  },
  {
   "line": 6536,
   "comp_id": "9K3",
   "ikey_connectivity": "FHJATBIERQTCTN",
   "smiles": "CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O",
   "targets": [
    "UNP:G7NS93"
   ]
  },
  {
   "line": 15976,
   "comp_id": "I00",
   "ikey_connectivity": "AYXNENHDYPBMFV",
   "smiles": "O=CCCc1cc(C(=O)NC2CCOCC2)cs1",
   "targets": [
    "UNP:O60341"
   ]
  },
  {
   "line": 20919,
   "comp_id": "PGD",
   "ikey_connectivity": "SOFMTHSWCZNJTQ",
   "smiles": "NC1=NC(=O)C2=NC3C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(=O)[nH]c(N)nc65)C(O)C4O)OC3NC2=N1",
   "targets": [
    "UNP:Q52675"
   ]
  },
  {
   "line": 9346,
   "comp_id": "A1H17",
   "ikey_connectivity": "XQZSOWNOTOQJFP",
   "smiles": "Cc1cc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)oc1C(=O)N(C)C",
   "targets": [
    "UNP:Q16531",
    "UNP:Q66K64",
    "UNP:Q9BW61"
   ]
  },
  {
   "line": 5169,
   "comp_id": "7OQ",
   "ikey_connectivity": "BJRNKVDFDLYUGJ",
   "smiles": "OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O",
   "targets": [
    "UNP:I0AIT9"
   ]
  },
  {
   "line": 20621,
   "comp_id": "OZS",
   "ikey_connectivity": "VZQNYKXXPHSQLJ",
   "smiles": "O=C(NCC=CC1OC(n2cnc(C(F)(F)F)c2)C(O)C1O)c1cc([N+](=O)[O-])cc(O)c1O",
   "targets": [
    "UNP:P22734"
   ]
  },
  {
   "line": 5218,
   "comp_id": "7R2",
   "ikey_connectivity": "GDMWZTBOBNMXTL",
   "smiles": "CCN(C)CCN1CCCc2cc(NC(=N)c3cccs3)ccc21",
   "targets": [
    "UNP:P29474",
    "UNP:P29475"
   ]
  },
  {
   "line": 3648,
   "comp_id": "5M6",
   "ikey_connectivity": "FLUPQHODHFEJEZ",
   "smiles": "Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCC3CCCO3)cc12",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 25552,
   "comp_id": "WLN",
   "ikey_connectivity": "NJIJWHPQTQDVAZ",
   "smiles": "Cn1c(O)c(Cc2cccc(Cl)c2)c(N2CCOCC2)nc1=O",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 7253,
   "comp_id": "A1AHK",
   "ikey_connectivity": "LSYANGLAZUZYFX",
   "smiles": "N#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(C4(C(F)(F)F)CC4)cc3)n2)nc1",
   "targets": [
    "UNP:O95180"
   ]
  },
  {
   "line": 27753,
   "comp_id": "ZX8",
   "ikey_connectivity": "WSXUKLGXIBOXHU",
   "smiles": "CC1NC(CNC(=O)c2cc3ccccc3o2)C(O)C(O)C1O",
   "targets": [
    "UNP:Q9WYE2"
   ]
  },
  {
   "line": 3254,
   "comp_id": "53U",
   "ikey_connectivity": "MEPJWLFTTFHOQO",
   "smiles": "NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccccc1",
   "targets": [
    "UNP:P00734",
    "UNP:P01050"
   ]
  },
  {
   "line": 17124,
   "comp_id": "JMS",
   "ikey_connectivity": "SBDNJUWAMKYJOX",
   "smiles": "Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl",
   "targets": [
    "UNP:P24627",
    "UNP:P35354",
    "UNP:P42330",
    "UNP:Q04828",
    "UNP:Q9C0B1"
   ]
  },
  {
   "line": 1733,
   "comp_id": "2RB",
   "ikey_connectivity": "BMGXNERTVNWBJG",
   "smiles": "COc1ccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2O)cc1",
   "targets": [
    "UNP:Q5G940"
   ]
  },
  {
   "line": 6813,
   "comp_id": "9XC",
   "ikey_connectivity": "CDFUEJXDMOJTBY",
   "smiles": "COc1ncc(-c2nc(C(=O)NC(=N)N)c(N)nc2N)c(OC)n1",
   "targets": [
    "UNP:P00749"
   ]
  },
  {
   "line": 18305,
   "comp_id": "L9S",
   "ikey_connectivity": "ZJSNZHATZAWKIQ",
   "smiles": "O=C(Nc1cccc(C2CN(c3ncnc4[nH]ccc34)CCN2CCO)c1)Nc1c(F)cccc1N1CCCC1",
   "targets": [
    "UNP:Q06187"
   ]
  },
  {
   "line": 1855,
   "comp_id": "2XD",
   "ikey_connectivity": "JCKBNTULKLTRHY",
   "smiles": "O=C(C=CN1CCc2c[nH]nc2C1)c1ccccc1O",
   "targets": [
    "UNP:Q86U86"
   ]
  },
  {
   "line": 12567,
   "comp_id": "CV6",
   "ikey_connectivity": "MJUVRTYWUMPBTR",
   "smiles": "CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1CC(O)CO",
   "targets": [
    "UNP:P13569"
   ]
  },
  {
   "line": 22817,
   "comp_id": "S7U",
   "ikey_connectivity": "KBMBYPWORLDFDP",
   "smiles": "N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCCN(c4cncc5ccccc45)C3=O)C2)CC1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 984,
   "comp_id": "1L8",
   "ikey_connectivity": "JCKGSPAAPQRPBW",
   "smiles": "O=C(C(Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1",
   "targets": [
    "UNP:Q8WTS6"
   ]
  },
  {
   "line": 9084,
   "comp_id": "A1EGV",
   "ikey_connectivity": "JPUKWEQWGBDDQB",
   "smiles": "O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12",
   "targets": [
    "UNP:A0A1S2XDD2"
   ]
  },
  {
   "line": 12836,
   "comp_id": "D91",
   "ikey_connectivity": "JUUFKVAFKAKWRV",
   "smiles": "CC(C)CC1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1C(=O)c1ncc(-c2ccncc2)cn1",
   "targets": [
    "UNP:P00742"
   ]
  },
  {
   "line": 3430,
   "comp_id": "5BU",
   "ikey_connectivity": "IDPVUMJNEZFMNU",
   "smiles": "O=c1[nH]c(=O)n(C2OC(COP(=O)(O)O)C(O)C2O)cc1Br",
   "targets": [
    "UNP:C1IC19",
    "UNP:P11172"
   ]
  },
  {
   "line": 21576,
   "comp_id": "QHT",
   "ikey_connectivity": "YMEVYPWCRCGXAH",
   "smiles": "Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)c1C",
   "targets": [
    "UNP:Q9Z2X8"
   ]
  },
  {
   "line": 4766,
   "comp_id": "76K",
   "ikey_connectivity": "UXRCPBKKSMEZKD",
   "smiles": "Nc1ncnc2c1ncn2C1OC(CC(CCC([NH3+])C(=O)O)[NH2+]CCCO)C(O)C1O",
   "targets": [
    "UNP:Q9BYW2"
   ]
  },
  {
   "line": 11472,
   "comp_id": "B2T",
   "ikey_connectivity": "JVOIPLKVZOLUDL",
   "smiles": "CSc1nc(N)nc(-c2ccccc2Cl)n1",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 2873,
   "comp_id": "4I6",
   "ikey_connectivity": "UZUFPBIDKMEQEQ",
   "smiles": "O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F",
   "targets": [
    "UNP:P05413"
   ]
  },
  {
   "line": 7991,
   "comp_id": "A1BLM",
   "ikey_connectivity": "JLCCNYVTIWRPIZ",
   "smiles": "CC(=O)N1CCC(Nc2cc(C(=O)NCC(O)CN3CCc4ccccc4C3)ncn2)CC1",
   "targets": [
    "UNP:O14744",
    "UNP:Q9BQA1"
   ]
  },
  {
   "line": 27286,
   "comp_id": "YVO",
   "ikey_connectivity": "DKNKWPRCQALROS",
   "smiles": "CC(c1cccc2c(-c3ccc4c(c3)CC(=O)N4)c(C(=O)O)[nH]c12)N1CC2(CC(CN)C2)OC1=O",
   "targets": [
    "UNP:Q9XAY4"
   ]
  },
  {
   "line": 20177,
   "comp_id": "OB8",
   "ikey_connectivity": "NWFALEHEZQFOMU",
   "smiles": "CCN(c1ccc2ccccc2c1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 15678,
   "comp_id": "HH2",
   "ikey_connectivity": "AMDUVUKDRBIVAH",
   "smiles": "Nc1nc2ncc(COP(=O)(O)OP(=O)(O)O)nc2c(=O)[nH]1",
   "targets": [
    "UNP:A0A2S9PLG4",
    "UNP:P26281",
    "UNP:Q5SLV2",
    "UNP:Q81VW8"
   ]
  },
  {
   "line": 11971,
   "comp_id": "BW6",
   "ikey_connectivity": "ZSPWREXVPNMKQP",
   "smiles": "CC1C(=O)N(C)c2ccc(-c3ccc[nH]3)cc2N1C1CC1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 15949,
   "comp_id": "HYM",
   "ikey_connectivity": "WMIYIBXBFBOKCT",
   "smiles": "NC1=NC(=O)C(=C2CCNC(=O)c3[nH]c(Cl)c(Cl)c32)N1",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 4672,
   "comp_id": "71X",
   "ikey_connectivity": "KVJAGYRUNZONPJ",
   "smiles": "CCc1c(C(=O)NC2c3cc(Cl)ccc3CCC2O)[nH]c(C)c1C(C)=O",
   "targets": [
    "UNP:Q92793"
   ]
  },
  {
   "line": 10276,
   "comp_id": "A1JFN",
   "ikey_connectivity": "QCDDMJYCFMMEHW",
   "smiles": "O=c1c2ccc(S(=O)(=O)c3ccccc3)cc2cnn1Cc1ccccc1",
   "targets": [
    "UNP:P30613"
   ]
  },
  {
   "line": 15830,
   "comp_id": "HRW",
   "ikey_connectivity": "WWJGDLQISVVNRI",
   "smiles": "Cc1cc(C)nc(SCC(=O)N=c2[nH]cc(Cc3cccc(C(F)(F)F)c3)s2)n1",
   "targets": [
    "UNP:P9WGR1"
   ]
  },
  {
   "line": 22767,
   "comp_id": "S5F",
   "ikey_connectivity": "OWOXMTWYTINFNT",
   "smiles": "O=c1nc(N2CC(Cn3cnnc3)C3(CCC3)C2)cc(Cl)[nH]1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 25511,
   "comp_id": "WJ3",
   "ikey_connectivity": "GNDUHMGWXSDQOT",
   "smiles": "Oc1c(Cl)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 26195,
   "comp_id": "XJA",
   "ikey_connectivity": "PJDJYKJPFGJDMA",
   "smiles": "CCCCCCCCCCCCC(=O)OC(COC(=O)CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O",
   "targets": [
    "UNP:O35433"
   ]
  },
  {
   "line": 5375,
   "comp_id": "7YB",
   "ikey_connectivity": "PNFAFEUIIJFEIL",
   "smiles": "O=C(NC1(C(=O)NC(CC2CCCCC2)C(=O)NC(CO)CC2CCNC2=O)CC1)OCc1ccccc1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 8633,
   "comp_id": "A1COT",
   "ikey_connectivity": "BCELDXVLFLPUFF",
   "smiles": "CCc1cc(C#N)ccc1C1=CN(c2cccc(OC(F)(F)F)c2)C2=NCCCN12",
   "targets": [
    "UNP:P30837"
   ]
  },
  {
   "line": 15981,
   "comp_id": "I06",
   "ikey_connectivity": "JSSVIGGKHIJEHO",
   "smiles": "O=c1[nH]n(CCc2ccccc2)c(=O)c2ccccc12",
   "targets": [
    "UNP:P32890"
   ]
  },
  {
   "line": 13379,
   "comp_id": "E4O",
   "ikey_connectivity": "YXMAQAPNMNRQQB",
   "smiles": "CC(O)C(N)C(=O)NCC=CCn1cnc2cc(Cl)c(Cl)cc2c1=O",
   "targets": [
    "UNP:V7II86"
   ]
  },
  {
   "line": 18944,
   "comp_id": "M9S",
   "ikey_connectivity": "QJVRHGDUROHLPF",
   "smiles": "c1cc2c(ccn2CC2CCCN2)cc1-c1ncc(C2(N3CCCC3)CCCCC2)s1",
   "targets": [
    "UNP:Q389T8"
   ]
  },
  {
   "line": 25431,
   "comp_id": "WF4",
   "ikey_connectivity": "DRFFZMPSUPHSJN",
   "smiles": "Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)O",
   "targets": [
    "UNP:A0A0H2UL03"
   ]
  },
  {
   "line": 16257,
   "comp_id": "IFS",
   "ikey_connectivity": "JFZVPWMZPZJUTE",
   "smiles": "CC(C)OP(=O)(OC(C)C)c1ccccc1CS",
   "targets": [
    "UNP:P26918"
   ]
  },
  {
   "line": 18815,
   "comp_id": "M2Z",
   "ikey_connectivity": "RKBYYWVZFBATHQ",
   "smiles": "COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)cc(OC)c1OC",
   "targets": [
    "UNP:Q04771"
   ]
  },
  {
   "line": 10139,
   "comp_id": "A1IZG",
   "ikey_connectivity": "ZULQNEUCXVFHPS",
   "smiles": "CC(C)C(C(=O)O)N1C(=O)C(NC(=O)CCCC(N)C(=O)O)C1S",
   "targets": [
    "UNP:P05326"
   ]
  },
  {
   "line": 17412,
   "comp_id": "K0O",
   "ikey_connectivity": "IOYVXXQKVQKQIG",
   "smiles": "CC(C)=C1CCC23COC(C2)C(O)(C(=O)O)CCC13",
   "targets": [
    "UNP:Q9LIR4"
   ]
  },
  {
   "line": 12973,
   "comp_id": "DIU",
   "ikey_connectivity": "DHZVWQPHNWDCFS",
   "smiles": "O=C(O)c1cc(I)cc(I)c1O",
   "targets": [
    "UNP:B3VHM9",
    "UNP:P02766",
    "UNP:P14639",
    "UNP:P35747"
   ]
  },
  {
   "line": 25599,
   "comp_id": "WOI",
   "ikey_connectivity": "RJHSLHDWIDVZDR",
   "smiles": "Cc1nc(-c2ccccc2)nc(Sc2ccc(F)cc2)c1C(=O)O",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 16583,
   "comp_id": "IX2",
   "ikey_connectivity": "ODAHTCFMDSLFIH",
   "smiles": "Cc1cnc(CSc2nc3cc4c(cc3[nH]2)CCO4)c(C)c1Cl",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 17275,
   "comp_id": "JTQ",
   "ikey_connectivity": "QPVJIMUMKNWEER",
   "smiles": "Cn1cc(-c2cncnc2N)c2ccc(Cl)c(Cl)c21",
   "targets": [
    "UNP:P49759"
   ]
  },
  {
   "line": 9710,
   "comp_id": "A1IDS",
   "ikey_connectivity": "DXCQOGDIWJABPB",
   "smiles": "COCC(c1cnn2cc(C(NC(=O)C(F)=CC3CC3)C3CCC(F)(F)CC3)nc2c1)N1CC(C(F)(F)F)NC1=O",
   "targets": [
    "UNP:Q16552"
   ]
  },
  {
   "line": 8506,
   "comp_id": "A1CHQ",
   "ikey_connectivity": "YXSWSKFLTNJZEO",
   "smiles": "O=C(NC1c2ccccc2CC1N1CCCC1)c1ccc(-c2ccnc3[nH]ccc23)nc1",
   "targets": [
    "UNP:P05132",
    "UNP:P61925"
   ]
  },
  {
   "line": 20888,
   "comp_id": "PEE",
   "ikey_connectivity": "MWRBNPKJOOWZPW",
   "smiles": "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC",
   "targets": [
    "UNP:A0A0B3VCY4",
    "UNP:A0A0D9QXW2",
    "UNP:A0A0D9R493",
    "UNP:A0A0D9R8S7",
    "UNP:A0A0D9RB67",
    "UNP:A0A0D9RJ49",
    "UNP:A0A0D9RML3",
    "UNP:A0A0D9RSN1",
    "UNP:A0A0D9S9I7",
    "UNP:A0A0K3AWP8",
    "UNP:A0A0R6L508",
    "UNP:A0A125YJP2",
    "UNP:A0A125YJV2",
    "UNP:A0A125YKF7",
    "UNP:A0A125YKF8",
    "UNP:A0A125YL08",
    "UNP:A0A125YLH9",
    "UNP:A0A125YLN4",
    "UNP:A0A125YLR0",
    "UNP:A0A125YMA7",
    "UNP:A0A125YPQ4",
    "UNP:A0A125YPS4",
    "UNP:A0A125YRE2",
    "UNP:A0A125YRP0",
    "UNP:A0A125YSI9",
    "UNP:A0A125YTD7",
    "UNP:A0A125YUH0",
    "UNP:A0A125YUZ2",
    "UNP:A0A125YV76",
    "UNP:A0A125YYY4",
    "UNP:A0A161CM65",
    "UNP:A0A286SF60",
    "UNP:A0A286ZNN4",
    "UNP:A0A286ZPR8",
    "UNP:A0A286ZUN9",
    "UNP:A0A287AAR5",
    "UNP:A0A287AE88",
    "UNP:A0A287AEB7",
    "UNP:A0A287AZF9",
    "UNP:A0A287BAW0",
    "UNP:A0A287BDC0",
    "UNP:A0A287BEK4",
    "UNP:A0A287BG40",
    "UNP:A0A287BJ57",
    "UNP:A0A287BJQ2",
    "UNP:A0A287BMW6",
    "UNP:A0A2K5HV75",
    "UNP:A0A2S6MZS1",
    "UNP:A0A2S6NEG7",
    "UNP:A0A2S6NEK3",
    "UNP:A0A2S6NEK5",
    "UNP:A0A2S6NEL9",
    "UNP:A0A2S6NEP5",
    "UNP:A0A3L6KRX7",
    "UNP:A0A480JRW3",
    "UNP:A0A480JYS1",
    "UNP:A0A480KM09",
    "UNP:A0A480VKQ8",
    "UNP:A0A4Q7ABV3",
    "UNP:A0A4X1SN37",
    "UNP:A0A4X1SZP7",
    "UNP:A0A4X1T0A8",
    "UNP:A0A4X1T6M0",
    "UNP:A0A4X1T8J9",
    "UNP:A0A4X1TE42",
    "UNP:A0A4X1TFI3",
    "UNP:A0A4X1TG97",
    "UNP:A0A4X1TWD8",
    "UNP:A0A4X1TXH1",
    "UNP:A0A4X1U2M7",
    "UNP:A0A4X1UIV8",
    "UNP:A0A4X1ULW2",
    "UNP:A0A4X1UNI7",
    "UNP:A0A4X1UYT9",
    "UNP:A0A4X1V1H9",
    "UNP:A0A4X1V766",
    "UNP:A0A4X1VBN1",
    "UNP:A0A4X1VD84",
    "UNP:A0A4X1VLA2",
    "UNP:A0A4X1VPG4",
    "UNP:A0A4X1VQ42",
    "UNP:A0A4X1VTL7",
    "UNP:A0A4X1VTU3",
    "UNP:A0A4X1VYV0",
    "UNP:A0A5G2QW32",
    "UNP:A0A7J6MEE8",
    "UNP:A0A7J6MZQ8",
    "UNP:A0A7J6R9U3",
    "UNP:A0A8D0PK14",
    "UNP:A0A8D0R7A9",
    "UNP:A0A8D0SHY6",
    "UNP:A0A8D0UWW0",
    "UNP:A0A8D1AAL8",
    "UNP:A0A8D1EYI7",
    "UNP:A0A8D1FAG1",
    "UNP:A0A8D1IJ52",
    "UNP:A0A8D1JI21",
    "UNP:A0A8D1K2Z9",
    "UNP:A0A8D1KH26",
    "UNP:A0A8D1NRT6",
    "UNP:A0A8D1TL60",
    "UNP:A0A8D2CGH8",
    "UNP:A0A8W4F7N8",
    "UNP:A0A8W4F811",
    "UNP:A0ABF7PQA2",
    "UNP:A0AC62AEH6",
    "UNP:A0AC62AEH8",
    "UNP:A0ACD6B968",
    "UNP:A0FGR8",
    "UNP:A1XQS6",
    "UNP:A1XQT4",
    "UNP:A5F5X0",
    "UNP:A5F5X1",
    "UNP:A5F5Y4",
    "UNP:A5F5Y5",
    "UNP:A5F5Y6",
    "UNP:A5F5Y7",
    "UNP:A7ZI09",
    "UNP:A7ZI10",
    "UNP:B9EE38",
    "UNP:C5K4P8",
    "UNP:C5K5E4",
    "UNP:C5K628",
    "UNP:C5K7H0",
    "UNP:C5K8N0",
    "UNP:C5KBY9",
    "UNP:C5KDM7",
    "UNP:C5KED7",
    "UNP:C5KJE7",
    "UNP:C5KJI4",
    "UNP:C5KPD1",
    "UNP:C5KS02",
    "UNP:C5KST9",
    "UNP:C5KSX3",
    "UNP:C5KTH2",
    "UNP:C5KTV6",
    "UNP:C5KYR8",
    "UNP:C5L083",
    "UNP:C5L0U1",
    "UNP:C5L0W2",
    "UNP:C5L0W9",
    "UNP:C5L104",
    "UNP:C5L1Y6",
    "UNP:C5L3V7",
    "UNP:C5L533",
    "UNP:C5L7H1",
    "UNP:C5L848",
    "UNP:C5LCL6",
    "UNP:C5LDF5",
    "UNP:C5LDS7",
    "UNP:C5LG07",
    "UNP:C5LG64",
    "UNP:C5LJ83",
    "UNP:C5LK31",
    "UNP:C5LPW2",
    "UNP:C5LR54",
    "UNP:C5LSM2",
    "UNP:C5LUB2",
    "UNP:C5LUF4",
    "UNP:C5LUF9",
    "UNP:C5LUI5",
    "UNP:C5LWC6",
    "UNP:C5LYE7",
    "UNP:C5LYT4",
    "UNP:C5LYX8",
    "UNP:C9ZJA0",
    "UNP:C9ZLR9",
    "UNP:D0A5R7",
    "UNP:D0E0C2",
    "UNP:D0VWW3",
    "UNP:D1MN74",
    "UNP:D3KZG3",
    "UNP:E2JF22",
    "UNP:F1RGE3",
    "UNP:F1RNZ1",
    "UNP:F1RPD2",
    "UNP:F1RRC9",
    "UNP:F1RWL7",
    "UNP:F1RWV4",
    "UNP:F1S031",
    "UNP:F1S1A8",
    "UNP:F1S3W0",
    "UNP:F1SA62",
    "UNP:F1SAB6",
    "UNP:F1SCH1",
    "UNP:F1SDI2",
    "UNP:F1SGC6",
    "UNP:F1SIF2",
    "UNP:F1SIS9",
    "UNP:F1SJ34",
    "UNP:F1SJP6",
    "UNP:F1SKM0",
    "UNP:F1SL07",
    "UNP:F1SLR1",
    "UNP:F1SLY2",
    "UNP:F1SM98",
    "UNP:F1SQP4",
    "UNP:F1SRG2",
    "UNP:F1SRQ0",
    "UNP:F1STY1",
    "UNP:F1SV23",
    "UNP:F8SRI9",
    "UNP:F8SRJ0",
    "UNP:G0GA88",
    "UNP:G8IFA6",
    "UNP:H9PGF0",
    "UNP:I3LDC3",
    "UNP:I3LGM4",
    "UNP:I3LPW0",
    "UNP:I3LRR4",
    "UNP:I7LSX6",
    "UNP:I7LVK6",
    "UNP:I7LVQ8",
    "UNP:I7LZE5",
    "UNP:I7LZV1",
    "UNP:I7LZW2",
    "UNP:I7M0G0",
    "UNP:I7M484",
    "UNP:I7M7B9",
    "UNP:I7M7C0",
    "UNP:I7M8Q3",
    "UNP:I7M980",
    "UNP:I7MCQ6",
    "UNP:I7MCZ0",
    "UNP:I7MFL6",
    "UNP:I7MGU2",
    "UNP:I7MIC7",
    "UNP:I7MJ25",
    "UNP:I7MJ84",
    "UNP:I7MLU7",
    "UNP:I7MM45",
    "UNP:I7MMI7",
    "UNP:I7MMW3",
    "UNP:K7GR43",
    "UNP:K7GSE5",
    "UNP:M9MSG8",
    "UNP:O00217",
    "UNP:O00483",
    "UNP:O14561",
    "UNP:O14949",
    "UNP:O14957",
    "UNP:O15239",
    "UNP:O43181",
    "UNP:O43292",
    "UNP:O43674",
    "UNP:O43676",
    "UNP:O43677",
    "UNP:O43678",
    "UNP:O43920",
    "UNP:O67181",
    "UNP:O67182",
    "UNP:O75251",
    "UNP:O75306",
    "UNP:O75380",
    "UNP:O75438",
    "UNP:O75489",
    "UNP:O79874",
    "UNP:O79875",
    "UNP:O79876",
    "UNP:O79880",
    "UNP:O79881",
    "UNP:O79882",
    "UNP:O95139",
    "UNP:O95167",
    "UNP:O95168",
    "UNP:O95169",
    "UNP:O95178",
    "UNP:O95182",
    "UNP:O95298",
    "UNP:O95299",
    "UNP:O96000",
    "UNP:P00125",
    "UNP:P00126",
    "UNP:P00129",
    "UNP:P00130",
    "UNP:P00156",
    "UNP:P00157",
    "UNP:P00395",
    "UNP:P00396",
    "UNP:P00403",
    "UNP:P00414",
    "UNP:P00415",
    "UNP:P00423",
    "UNP:P00426",
    "UNP:P00428",
    "UNP:P00429",
    "UNP:P00430",
    "UNP:P00740",
    "UNP:P02647",
    "UNP:P02818",
    "UNP:P02948",
    "UNP:P02950",
    "UNP:P03886",
    "UNP:P03891",
    "UNP:P03897",
    "UNP:P03901",
    "UNP:P03905",
    "UNP:P03915",
    "UNP:P03923",
    "UNP:P04038",
    "UNP:P07225",
    "UNP:P07470",
    "UNP:P07471",
    "UNP:P07602",
    "UNP:P07919",
    "UNP:P08493",
    "UNP:P08574",
    "UNP:P09669",
    "UNP:P0A6A8",
    "UNP:P0ABE7",
    "UNP:P0ABE8",
    "UNP:P0ABI8",
    "UNP:P0ABJ1",
    "UNP:P0ABJ3",
    "UNP:P0ABJ6",
    "UNP:P0ABJ9",
    "UNP:P0ABK2",
    "UNP:P0AE16",
    "UNP:P0AEB5",
    "UNP:P0C0S1",
    "UNP:P0C5R9",
    "UNP:P0DPG3",
    "UNP:P0DPG4",
    "UNP:P0DTC3",
    "UNP:P10175",
    "UNP:P10176",
    "UNP:P10606",
    "UNP:P11847",
    "UNP:P12074",
    "UNP:P13073",
    "UNP:P13183",
    "UNP:P13271",
    "UNP:P13272",
    "UNP:P14406",
    "UNP:P14854",
    "UNP:P14927",
    "UNP:P15954",
    "UNP:P17568",
    "UNP:P19056",
    "UNP:P19057",
    "UNP:P19404",
    "UNP:P20674",
    "UNP:P21801",
    "UNP:P22695",
    "UNP:P23004",
    "UNP:P23968",
    "UNP:P24311",
    "UNP:P24499",
    "UNP:P24964",
    "UNP:P25515",
    "UNP:P26240",
    "UNP:P28331",
    "UNP:P31800",
    "UNP:P31930",
    "UNP:P32366",
    "UNP:P32563",
    "UNP:P32842",
    "UNP:P33324",
    "UNP:P33421",
    "UNP:P33767",
    "UNP:P37298",
    "UNP:P38435",
    "UNP:P39007",
    "UNP:P41543",
    "UNP:P45844",
    "UNP:P46964",
    "UNP:P47985",
    "UNP:P49126",
    "UNP:P49802",
    "UNP:P49821",
    "UNP:P50405",
    "UNP:P50667",
    "UNP:P51970",
    "UNP:P53262",
    "UNP:P56100",
    "UNP:P56181",
    "UNP:P56556",
    "UNP:P56632",
    "UNP:P59632",
    "UNP:P62072",
    "UNP:P62881",
    "UNP:P63386",
    "UNP:P64602",
    "UNP:P64604",
    "UNP:P64606",
    "UNP:P68530",
    "UNP:P9WJV3",
    "UNP:Q00711",
    "UNP:Q02795",
    "UNP:Q03723",
    "UNP:Q11069",
    "UNP:Q15858",
    "UNP:Q16611",
    "UNP:Q16718",
    "UNP:Q16795",
    "UNP:Q1AL63",
    "UNP:Q1HBG9",
    "UNP:Q1W0Y2",
    "UNP:Q228N4",
    "UNP:Q22DV8",
    "UNP:Q22Z05",
    "UNP:Q22ZH1",
    "UNP:Q239R1",
    "UNP:Q23F81",
    "UNP:Q23K66",
    "UNP:Q24HK1",
    "UNP:Q24HY8",
    "UNP:Q24I07",
    "UNP:Q24IM5",
    "UNP:Q2EN79",
    "UNP:Q35916",
    "UNP:Q387J1",
    "UNP:Q389Z3",
    "UNP:Q38AG1",
    "UNP:Q38C84",
    "UNP:Q38CI8",
    "UNP:Q3E7B6",
    "UNP:Q3IY09",
    "UNP:Q3IY10",
    "UNP:Q3IY11",
    "UNP:Q3J2Z2",
    "UNP:Q4W5H0",
    "UNP:Q53H12",
    "UNP:Q57VT0",
    "UNP:Q57Z84",
    "UNP:Q57ZE2",
    "UNP:Q57ZM4",
    "UNP:Q57ZW9",
    "UNP:Q582T1",
    "UNP:Q583U4",
    "UNP:Q585K5",
    "UNP:Q586H1",
    "UNP:Q5S3G4",
    "UNP:Q5T848",
    "UNP:Q5U3C3",
    "UNP:Q5ZIS0",
    "UNP:Q71K68",
    "UNP:Q7IIB7",
    "UNP:Q7NDN8",
    "UNP:Q80WG5",
    "UNP:Q86WA9",
    "UNP:Q86Y39",
    "UNP:Q8BGR2",
    "UNP:Q8HAX7",
    "UNP:Q8NB49",
    "UNP:Q8R502",
    "UNP:Q8SPJ9",
    "UNP:Q92316",
    "UNP:Q92643",
    "UNP:Q93640",
    "UNP:Q950Y8",
    "UNP:Q950Z1",
    "UNP:Q951A5",
    "UNP:Q951C1",
    "UNP:Q95QG3",
    "UNP:Q969N2",
    "UNP:Q96S52",
    "UNP:Q99380",
    "UNP:Q9BSF4",
    "UNP:Q9BW72",
    "UNP:Q9GPE9",
    "UNP:Q9GS23",
    "UNP:Q9H490",
    "UNP:Q9NV96",
    "UNP:Q9NX14",
    "UNP:Q9P0J0",
    "UNP:Q9TDR1",
    "UNP:Q9UDW1",
    "UNP:Q9UI09",
    "UNP:Q9UNQ0",
    "UNP:Q9XEA1",
    "UNP:Q9XXE7",
    "UNP:Q9Y584",
    "UNP:Q9Y5J6",
    "UNP:Q9Y5J7",
    "UNP:Q9Y6M9",
    "UNP:Q9YHT1",
    "UNP:Q9YHT2",
    "UNP:S7UQ82",
    "UNP:S7UQT7",
    "UNP:S7UU80",
    "UNP:S7UVZ7",
    "UNP:S7V2T0",
    "UNP:S7V493",
    "UNP:S7VTI0",
    "UNP:S7VV10",
    "UNP:S7VXW3",
    "UNP:S7W180",
    "UNP:S7W7F1",
    "UNP:S7W9J5",
    "UNP:S7WD71",
    "UNP:V9JN72"
   ]
  },
  {
   "line": 25064,
   "comp_id": "VSC",
   "ikey_connectivity": "SUGQHICXCRBQOI",
   "smiles": "O=C(NC(Cc1ccccc1)C(=O)NC(CCc1ccccc1)CCS(=O)(=O)Oc1ccccc1)OCc1ccccc1",
   "targets": [
    "UNP:P25779"
   ]
  },
  {
   "line": 12341,
   "comp_id": "CH5",
   "ikey_connectivity": "SUHOQUVVVLNYQR",
   "smiles": "C[N+](C)(C)CCOP(=O)(O)OCC(O)CO",
   "targets": [
    "UNP:P17900",
    "UNP:P71619"
   ]
  },
  {
   "line": 25004,
   "comp_id": "VOV",
   "ikey_connectivity": "",
   "smiles": "C=CC1=C(C)c2cc3c(C)c(CCC(=O)O)c4cc5[n]6->[Fe]7(<-[n]2c1cc1c(C)c(CCC(=O)O)c(cc6C(C)=C5CCC(=O)O)[n-]->71)<-[n-]34",
   "targets": [
    "UNP:O69830",
    "UNP:Q6NGV6",
    "UNP:Q8Y5F1"
   ]
  },
  {
   "line": 10951,
   "comp_id": "A5A",
   "ikey_connectivity": "CWWYMWDIYBJVLP",
   "smiles": "CC(N)C(=O)NS(=O)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:A0A077KUW8",
    "UNP:A0A6L8PEJ7",
    "UNP:A0A6L8PVW7",
    "UNP:O28029",
    "UNP:P00957",
    "UNP:P49588",
    "UNP:P49773",
    "UNP:Q5SHN1"
   ]
  },
  {
   "line": 258,
   "comp_id": "0HZ",
   "ikey_connectivity": "ZRJHYOXNWCMGMW",
   "smiles": "NC(=[NH2+])NCCCC1NC(=O)C2CCCN2C1=O",
   "targets": [
    "UNP:A0A076NBW8",
    "UNP:A0A1P8VSI6",
    "UNP:P11797",
    "UNP:V5TER4"
   ]
  },
  {
   "line": 7559,
   "comp_id": "A1AZB",
   "ikey_connectivity": "HULFYSCAJVTAAR",
   "smiles": "Cc1nc(NC(=N)N)sc1-c1cccc(NC(=O)c2ccc(F)cc2)c1",
   "targets": [
    "UNP:O15552",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096"
   ]
  },
  {
   "line": 25350,
   "comp_id": "WB0",
   "ikey_connectivity": "PTBCEVVQPWJWDW",
   "smiles": "CNC(=O)CC(Cc1ccc(F)cc1)NC(=O)C(Cc1ccc(Cl)cc1Cl)NC(=O)C(N)Cc1ccccc1C#N",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 2548,
   "comp_id": "40B",
   "ikey_connectivity": "QLUPVXJJKKYIHH",
   "smiles": "O=P(O)(O)C(O)(c1cccc(-c2cccc(-c3ccccc3)c2)c1)P(=O)(O)O",
   "targets": [
    "UNP:P9WFF7"
   ]
  },
  {
   "line": 12559,
   "comp_id": "CUP",
   "ikey_connectivity": "",
   "smiles": "O=C1[O-]->[Cu]2<-[O-]c3ccccc3C=[N]->2C1Cc1ccccc1",
   "targets": [
    "UNP:P02185"
   ]
  },
  {
   "line": 13817,
   "comp_id": "EQ8",
   "ikey_connectivity": "VHHRHWGBLOBVLW",
   "smiles": "O=[NH+]c1cc(C(F)(F)F)cc2c(=O)nc(N3CCN(S(=O)(=O)C4CCCCC4)CC3)sc12",
   "targets": [
    "UNP:P9WJF1"
   ]
  },
  {
   "line": 5814,
   "comp_id": "8KL",
   "ikey_connectivity": "NCXCLFQYKFLSTH",
   "smiles": "COc1ccc2cc3[n+](cc2c1OCCC[n+]1cccc2ccccc21)CCc1cc2c(cc1-3)OCO2",
   "targets": [
    "UNP:Q06GJ0"
   ]
  },
  {
   "line": 13284,
   "comp_id": "E0G",
   "ikey_connectivity": "ZFVRYNYOPQZKDG",
   "smiles": "CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)c2C1",
   "targets": [
    "UNP:P07900",
    "UNP:P12004",
    "UNP:P46598"
   ]
  },
  {
   "line": 16025,
   "comp_id": "I22",
   "ikey_connectivity": "JDTUMPKOJBQPKX",
   "smiles": "O=C(CO)C(O)C(O)C(O)C(O)COP(=O)(O)O",
   "targets": [
    "UNP:P34736",
    "UNP:Q5NFX0",
    "UNP:Q93UJ2",
    "UNP:Q9HKI3"
   ]
  },
  {
   "line": 9252,
   "comp_id": "A1ES7",
   "ikey_connectivity": "CWWGYOCZFHIVPJ",
   "smiles": "O=S(=O)(Nc1cc(-c2cc(F)c3ncnc(Nc4cccc(O)c4)c3c2)cnc1F)c1ccccc1",
   "targets": [
    "UNP:Q6ZMH5",
    "UNP:Q9H1A3"
   ]
  },
  {
   "line": 1798,
   "comp_id": "2UJ",
   "ikey_connectivity": "KIAPQLNGDDMAAR",
   "smiles": "CCC(=O)NCCCNc1nc(=O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O)c2[nH]1",
   "targets": [
    "UNP:P32939"
   ]
  },
  {
   "line": 19022,
   "comp_id": "MFX",
   "ikey_connectivity": "FABPRXSRWADJSP",
   "smiles": "COc1c(N2CC3CCCNC3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12",
   "targets": [
    "UNP:P0AES4",
    "UNP:P0AES6",
    "UNP:P9WG45",
    "UNP:P9WG47"
   ]
  },
  {
   "line": 3067,
   "comp_id": "4UF",
   "ikey_connectivity": "MMJPVSDTLGFIQW",
   "smiles": "CCOC(=O)c1cc2cc(-c3cc(C(=O)NCc4ccc(C(=O)O)cc4)nn3C)ccc2[nH]1",
   "targets": [
    "UNP:P45452"
   ]
  },
  {
   "line": 24224,
   "comp_id": "UJA",
   "ikey_connectivity": "WQMFHHFJPDQBMH",
   "smiles": "O=C(NCc1cccs1)C1CN(c2nc3cc(Cl)ccc3o2)CCN1C(=O)C(CC1CCCCC1)NC1CCCCC1",
   "targets": [
    "UNP:P00748"
   ]
  },
  {
   "line": 13167,
   "comp_id": "DUN",
   "ikey_connectivity": "COFNIXBQVWFHTR",
   "smiles": "O=c1ccn(C2CC(O)C(COP(=O)(O)NP(=O)(O)O)O2)c(=O)[nH]1",
   "targets": [
    "UNP:O15826",
    "UNP:Q0P8G4",
    "UNP:Q57ZH3"
   ]
  },
  {
   "line": 7050,
   "comp_id": "A1A7C",
   "ikey_connectivity": "LSAVZGNJZDIICB",
   "smiles": "O=C1CCC(c2ccccc2)N1Nc1ncnc2[nH]cc(Cl)c12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 22069,
   "comp_id": "R57",
   "ikey_connectivity": "JKKOLPWDKQDVJE",
   "smiles": "COc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1F",
   "targets": [
    "UNP:P9WJF1"
   ]
  },
  {
   "line": 21033,
   "comp_id": "PN6",
   "ikey_connectivity": "UNRCMCRRFYFGFX",
   "smiles": "CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2)[nH]c1=O",
   "targets": [
    "UNP:P68363",
    "UNP:P81947",
    "UNP:Q13509",
    "UNP:Q6B856"
   ]
  },
  {
   "line": 5054,
   "comp_id": "7JM",
   "ikey_connectivity": "VPSVVKQCDRXIFW",
   "smiles": "Cc1ncccc1-c1cc(O)c2nc[nH]c(=O)c2c1",
   "targets": [
    "UNP:P22734"
   ]
  },
  {
   "line": 3676,
   "comp_id": "5NJ",
   "ikey_connectivity": "QNTFLQLZXLXUGE",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(CCC(=O)CCC(=O)O)c1O",
   "targets": [
    "UNP:S8EY38"
   ]
  },
  {
   "line": 25100,
   "comp_id": "VUL",
   "ikey_connectivity": "WHJSYVVAGQVYEC",
   "smiles": "CCCCCCCCCC(=O)NS(=O)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q00IB3"
   ]
  },
  {
   "line": 21847,
   "comp_id": "QU7",
   "ikey_connectivity": "ZFXMYHPLTQTTFW",
   "smiles": "C=C(c1ccccc1)C12CCC(O)C1CC(CCCCCC)=C2c1ccccc1",
   "targets": [
    "UNP:O00482",
    "UNP:Q15596"
   ]
  },
  {
   "line": 24739,
   "comp_id": "VBM",
   "ikey_connectivity": "CBMCUAQNNUOHFF",
   "smiles": "COC(=O)N=c1nc2n([nH]1)C(c1ccc(C#N)cc1)C(C#N)=C(C)N2c1cccc(C(F)(F)F)c1",
   "targets": [
    "UNP:P08246"
   ]
  },
  {
   "line": 22109,
   "comp_id": "R70",
   "ikey_connectivity": "CXBAABOAUNPLDL",
   "smiles": "COc1ccccc1C1=C(Nc2ccc(C(=O)c3ccccc3)cc2)C(=O)NC1=O",
   "targets": [
    "UNP:O94804"
   ]
  },
  {
   "line": 2630,
   "comp_id": "448",
   "ikey_connectivity": "FDEXEPZGMKFCTG",
   "smiles": "CC1c2nc(C(F)(F)F)nn2CCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F",
   "targets": [
    "UNP:P27487"
   ]
  },
  {
   "line": 24020,
   "comp_id": "U8R",
   "ikey_connectivity": "DBMHKPKFMPEIGT",
   "smiles": "O=c1ccc2n[nH]c(C3CC3)c2n1-c1ccc(OC(F)F)cc1",
   "targets": [
    "UNP:P31153"
   ]
  },
  {
   "line": 527,
   "comp_id": "0WX",
   "ikey_connectivity": "OAKOZMGOTCCZPS",
   "smiles": "O=c1[nH]cnc2c(CCNCC3CCCCC3)c3[nH]c(NCCN4CCOCC4)nc3cc12",
   "targets": [
    "UNP:P28720"
   ]
  },
  {
   "line": 22690,
   "comp_id": "S1U",
   "ikey_connectivity": "DCLQGAIWDISPHM",
   "smiles": "CCN1CCN(c2ccc(NC(=O)CN3Cc4ccc(Cl)cc4C(C(=O)Nc4cncc5ccccc45)C3)cc2)CC1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 17560,
   "comp_id": "K7S",
   "ikey_connectivity": "UUDBNZHNESYAMK",
   "smiles": "Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2c(c1)[nH]c(=O)n2C",
   "targets": [
    "UNP:P15056"
   ]
  },
  {
   "line": 2803,
   "comp_id": "4DT",
   "ikey_connectivity": "WTARZSVAAGFJEN",
   "smiles": "CCN(c1nc(NC2=CCC3=CNN(CCCO)C3=C2)ncc1F)c1cccc2[nH]ncc12",
   "targets": [
    "UNP:P43405"
   ]
  },
  {
   "line": 7392,
   "comp_id": "A1AOG",
   "ikey_connectivity": "BXVRDWXKSQDUAB",
   "smiles": "CCn1c(-c2cccnc2C(C)OC)c2c3cc(ccc31)-c1cccc(c1)CC(NC(=O)C(C(C)C)N(C)C(C)=O)C(=O)N1CCCC(N1)C(=O)OCC(C)(C)C2",
   "targets": [
    "UNP:P01116",
    "UNP:P62937"
   ]
  },
  {
   "line": 10947,
   "comp_id": "A52",
   "ikey_connectivity": "WLOBNXOMDQETEC",
   "smiles": "CCOc1cccc2c1[B-]1(OC2CN)OC2C(COP(=O)([O-])[O-])OC(n3cnc4c(N)ncnc43)C2O1",
   "targets": [
    "UNP:P9WFV1"
   ]
  },
  {
   "line": 6544,
   "comp_id": "9KI",
   "ikey_connectivity": "KTPLYBJJFYLCFB",
   "smiles": "COC(=O)NC(C)(c1ccc(F)cc1)c1cnc(N2CCN(c3ncnn4cc(-c5cnn(C)c5)cc34)CC2)nc1",
   "targets": [
    "UNP:P10721"
   ]
  },
  {
   "line": 10425,
   "comp_id": "A1JN2",
   "ikey_connectivity": "IHTRPSMRGYWUIM",
   "smiles": "COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)c2n[nH]c(=O)n2C1c1ccc(C#N)cc1CC[N+](C)(C)C",
   "targets": [
    "UNP:P08246"
   ]
  },
  {
   "line": 22242,
   "comp_id": "RDL",
   "ikey_connectivity": "MIBROOURCUHKMD",
   "smiles": "O=c1[nH]c(=O)c2[nH]c(=O)c(=O)n(CC(O)C(O)C(O)CO)c2[nH]1",
   "targets": [
    "UNP:O66529"
   ]
  },
  {
   "line": 27185,
   "comp_id": "YQW",
   "ikey_connectivity": "CGFMMSFCBYQRSU",
   "smiles": "CC(c1cccc2c(-c3cn[nH]c(=O)c3)c(C(=O)O)[nH]c12)N1CC2(CC(CN)C2)OC1=O",
   "targets": [
    "UNP:Q9XAY4"
   ]
  },
  {
   "line": 25138,
   "comp_id": "VXR",
   "ikey_connectivity": "BKZOQCGDCHOGOQ",
   "smiles": "CCc1ccc(C=C2SC(NC(c3ccc(F)cc3)c3nnn[nH]3)=NC2=O)o1",
   "targets": [
    "UNP:P26663"
   ]
  },
  {
   "line": 935,
   "comp_id": "1IU",
   "ikey_connectivity": "RAFOALGGQUIRNB",
   "smiles": "CC(CP(=O)(O)C(Cc1ccccc1)NC(=O)C(N)Cc1nnn[nH]1)C(=O)NC(C)C(N)=O",
   "targets": [
    "UNP:P12821"
   ]
  },
  {
   "line": 3995,
   "comp_id": "63J",
   "ikey_connectivity": "PRAAPINBUWJLGA",
   "smiles": "O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1",
   "targets": [
    "UNP:O94925"
   ]
  },
  {
   "line": 10405,
   "comp_id": "A1JM0",
   "ikey_connectivity": "LXTIEQOZGSBTHB",
   "smiles": "CNc1ncnc2c1ncn2C1OC(CSc2nc3ccccc3s2)C(O)C1O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 15463,
   "comp_id": "H5Z",
   "ikey_connectivity": "ZXTKEPHLSBIIAZ",
   "smiles": "Cc1ccc(SC2OC(CO)C(O)C(n3cc(-c4c(F)c(F)c(F)c(F)c4F)nn3)C2O)cc1",
   "targets": [
    "UNP:P17931"
   ]
  },
  {
   "line": 19758,
   "comp_id": "NP6",
   "ikey_connectivity": "ITVRELFVFCOUMV",
   "smiles": "CCCC(=O)NC1C(=NOC(=O)Nc2ccccc2)OC(CO)C(O)C1O",
   "targets": [
    "UNP:Q89ZI2",
    "UNP:Q9KU37"
   ]
  },
  {
   "line": 9467,
   "comp_id": "A1H7T",
   "ikey_connectivity": "HLDSSZGQRKEKAO",
   "smiles": "CC1C(=O)N(C)CCN1C1=C(S(=O)(=O)c2ccccc2C#N)NCS1",
   "targets": [
    "UNP:Q14145"
   ]
  },
  {
   "line": 4119,
   "comp_id": "69C",
   "ikey_connectivity": "JFNXRABTLWJEOU",
   "smiles": "CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC(c1ccccc1)C2",
   "targets": [
    "UNP:P04629"
   ]
  },
  {
   "line": 15716,
   "comp_id": "HJZ",
   "ikey_connectivity": "XAWPFEPCAOCGHU",
   "smiles": "CC1CCC(c2ccccc2-c2cc(-c3ccccc3)sc2C(=O)O)CC1",
   "targets": [
    "UNP:P26663"
   ]
  },
  {
   "line": 20931,
   "comp_id": "PH4",
   "ikey_connectivity": "IISKWLQYGVRJHI",
   "smiles": "O=C(COP(=O)(O)O)N(O)CCCOP(=O)(O)O",
   "targets": [
    "UNP:P56109"
   ]
  },
  {
   "line": 21862,
   "comp_id": "QV4",
   "ikey_connectivity": "SPMGVWYYOZMEBD",
   "smiles": "CC1OC(O)C(O)C(O)C1NC1C=C(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O",
   "targets": [
    "UNP:P04746"
   ]
  },
  {
   "line": 10977,
   "comp_id": "A6J",
   "ikey_connectivity": "AQVNDVRBIXSQST",
   "smiles": "COc1c(F)c(F)c(C(=O)NC2C(O)C(CO)OC(SC3OC(CO)C(O)C(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)C3OS(=O)(=O)O)C2O)c(F)c1F",
   "targets": [
    "UNP:P17931"
   ]
  },
  {
   "line": 10230,
   "comp_id": "A1JDE",
   "ikey_connectivity": "UWPJWCBDMZHMTN",
   "smiles": "O=S(=O)(c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 13233,
   "comp_id": "DXY",
   "ikey_connectivity": "GEZLAVXTPLTVRU",
   "smiles": "CSC(CCCc1c(N)nc(N)[nH]c1=O)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1",
   "targets": [
    "UNP:P22102"
   ]
  },
  {
   "line": 4640,
   "comp_id": "70A",
   "ikey_connectivity": "YSEANFNTDGIIGS",
   "smiles": "Cc1cc2ccc1C(C)COC(=O)Nc1ccc(C3(c4nnn[nH]4)CC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)nccc2c1",
   "targets": [
    "UNP:P08709"
   ]
  },
  {
   "line": 15226,
   "comp_id": "GSQ",
   "ikey_connectivity": "BHNMMFGOJRIAEZ",
   "smiles": "CC(C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)C1=O",
   "targets": [
    "UNP:P00742"
   ]
  },
  {
   "line": 10583,
   "comp_id": "A1L0R",
   "ikey_connectivity": "DTNXVYSHNSOFNS",
   "smiles": "Cn1nc(C2OC(CO)C(O)C(n3cc(-c4ccc(Br)c(F)c4F)nn3)C2O)n(-c2cc(Cl)ccc2C(F)(F)F)c1=S",
   "targets": [
    "UNP:P17931"
   ]
  },
  {
   "line": 8016,
   "comp_id": "A1BN4",
   "ikey_connectivity": "YJUWSGAKKBDWFC",
   "smiles": "NC(=O)C1CCCN(C(=O)Cc2cccnc2O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 25936,
   "comp_id": "X5J",
   "ikey_connectivity": "DXJHOSYLPZBMEZ",
   "smiles": "Nc1nc2c(ncn2C2OC3COP(=O)(S)OC4CC(Nc5ccncn5)CC4COP(=O)(S)OC2C3O)c(=O)[nH]1",
   "targets": [
    "UNP:Q86WV6"
   ]
  },
  {
   "line": 26124,
   "comp_id": "XFK",
   "ikey_connectivity": "RDXKSGCNYFTVRW",
   "smiles": "Cc1cc(N)nc(CCc2cncc(CCc3cc(C)nc(N)c3)c2)c1",
   "targets": [
    "UNP:O34453",
    "UNP:P29473",
    "UNP:P29476"
   ]
  },
  {
   "line": 8094,
   "comp_id": "A1BQ8",
   "ikey_connectivity": "BNONJNCLVIRUCY",
   "smiles": "Cc1cc(C)c(Nc2ccn(C3COC3)n2)c(C)c1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 10202,
   "comp_id": "A1JBS",
   "ikey_connectivity": "TWBTYLITQJEZMJ",
   "smiles": "O=C(Nc1ccc(CCOC2OC(C(O)CO)C(O)C(OC3OC(C(O)CO)C(OP(=O)(O)O)C(O)C3O)C2O)cc1)C(F)(F)F",
   "targets": [
    "UNP:P35247"
   ]
  },
  {
   "line": 25923,
   "comp_id": "X4U",
   "ikey_connectivity": "VLIUIBXPEDFJRF",
   "smiles": "O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO",
   "targets": [
    "UNP:R8YPJ7"
   ]
  },
  {
   "line": 18617,
   "comp_id": "LR4",
   "ikey_connectivity": "YZNVUBRDUJUVPB",
   "smiles": "CC1CN(C)CCN1c1cccc(-c2noc(C3(C)CCCc4sc(N)c(C#N)c43)n2)n1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 19052,
   "comp_id": "MI8",
   "ikey_connectivity": "PLLUXUKFSITXBR",
   "smiles": "CC=CC1OC(C(N)C=CC=C(C)CC(C)C=C(C)C=CC(O)CC(N)CC(=O)OC)CC(O)C1C",
   "targets": [
    "UNP:P30822",
    "UNP:P41920",
    "UNP:P62826"
   ]
  },
  {
   "line": 16379,
   "comp_id": "ILZ",
   "ikey_connectivity": "PPQVWRNRKSICPC",
   "smiles": "Cn1cc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 8430,
   "comp_id": "A1CC5",
   "ikey_connectivity": "KHZOJCQBHJUJFY",
   "smiles": "Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1",
   "targets": [
    "UNP:Q9H237"
   ]
  },
  {
   "line": 16574,
   "comp_id": "IWK",
   "ikey_connectivity": "ULXMRVJZCZWQMM",
   "smiles": "Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc2nc(N3CCOCC3)nn2cn1",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 2448,
   "comp_id": "3V5",
   "ikey_connectivity": "SKDDBJCIWUNJNL",
   "smiles": "CC(=O)C(C=O)C1CC(SCNCN)C(C(=O)O)N1",
   "targets": [
    "UNP:I6Y9J2"
   ]
  },
  {
   "line": 14819,
   "comp_id": "G7P",
   "ikey_connectivity": "POGBMBNNYPHAGN",
   "smiles": "O=P(O)(O)CCC1OC(O)C(O)C(O)C1O",
   "targets": [
    "UNP:P71447"
   ]
  },
  {
   "line": 20732,
   "comp_id": "P59",
   "ikey_connectivity": "UMMDFHVNOCVOCD",
   "smiles": "O=C1c2ccccc2NC(c2ccccc2F)N1c1ccccc1",
   "targets": [
    "UNP:O43924"
   ]
  },
  {
   "line": 2469,
   "comp_id": "3WK",
   "ikey_connectivity": "FWUUBTREFIXWHX",
   "smiles": "Nc1ccc(Nc2ncnc3c2C(=O)CC=N3)cc1",
   "targets": [
    "UNP:P36897"
   ]
  },
  {
   "line": 6714,
   "comp_id": "9S8",
   "ikey_connectivity": "BXNBTMFWWXDIEB",
   "smiles": "[S-2]1[Fe][SH-2]2[Fe][SH-2]3[Fe][S-2][Fe]123",
   "targets": [
    "UNP:A0A2D0TC97",
    "UNP:A0A2D0TC98",
    "UNP:A0A2D0TC99",
    "UNP:A0A2D0TCA6",
    "UNP:A0A2D0TCB4",
    "UNP:A0A2D0TCB9",
    "UNP:A0A2L1CAX5",
    "UNP:A0A2L1CAZ7",
    "UNP:A0A2L1CB03",
    "UNP:A0A2L1CB19",
    "UNP:A0A2L1CB29",
    "UNP:A0A2L1CBC1",
    "UNP:A0A2L1CC77",
    "UNP:A0A2L1CC83",
    "UNP:A0A2L1CCC1",
    "UNP:A0A2L1CCM5",
    "UNP:A0A7J9NT94",
    "UNP:A0A7J9NZ09",
    "UNP:A0A7J9P3N2",
    "UNP:A0A7J9PDY4",
    "UNP:D9PU51",
    "UNP:D9PU52",
    "UNP:D9PU54",
    "UNP:D9PXE7",
    "UNP:D9PY02",
    "UNP:D9PY03",
    "UNP:D9PY04",
    "UNP:I7FE09",
    "UNP:M9QXF8",
    "UNP:P60227",
    "UNP:P60232",
    "UNP:P60238",
    "UNP:P60239",
    "UNP:P61937",
    "UNP:Q2FKZ0",
    "UNP:Q2FKZ1",
    "UNP:Q2FKZ2",
    "UNP:Q2FKZ3",
    "UNP:Q2FKZ4",
    "UNP:Q2FKZ5",
    "UNP:Q2FME3",
    "UNP:Q2FRF6",
    "UNP:Q2FRK1",
    "UNP:Q2FRL8",
    "UNP:Q2FRL9",
    "UNP:Q2FRM0",
    "UNP:Q50754",
    "UNP:Q50755",
    "UNP:Q50756",
    "UNP:Q6LYD7",
    "UNP:Q6LYD8"
   ]
  },
  {
   "line": 8353,
   "comp_id": "A1C4F",
   "ikey_connectivity": "SZTWNECIQHHWDR",
   "smiles": "CNC(=O)C1CC(c2ccccc2)CN(C(=O)c2cc(OC(C)C)c(-c3cccc4c3OC(F)(F)O4)c3ncn(C)c23)C1",
   "targets": [
    "UNP:Q16531"
   ]
  },
  {
   "line": 16681,
   "comp_id": "J0W",
   "ikey_connectivity": "WIYPHWOCUFWQTJ",
   "smiles": "CC(C)CN1CCc2cc(O)ccc2C1(C)c1ccc(C=CC(=O)O)cc1",
   "targets": [
    "UNP:P03372"
   ]
  },
  {
   "line": 15902,
   "comp_id": "HWI",
   "ikey_connectivity": "QAGOTVUCIFWFPR",
   "smiles": "CCc1nc(N)nc(N)c1OCCCOc1cc(C)ccc1N1CC(C(=O)O)C1",
   "targets": [
    "UNP:P9WNX1"
   ]
  },
  {
   "line": 2961,
   "comp_id": "4OA",
   "ikey_connectivity": "SMEROWZSTRWXGI",
   "smiles": "CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C",
   "targets": [
    "UNP:P13053",
    "UNP:P80226",
    "UNP:Q15596",
    "UNP:Q15648",
    "UNP:Q59819",
    "UNP:Q6SJQ7",
    "UNP:Q80J94",
    "UNP:Q9PTN2"
   ]
  },
  {
   "line": 12429,
   "comp_id": "CM7",
   "ikey_connectivity": "MSHYGGHZTGSTOG",
   "smiles": "CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)CNCc4cccc(C(F)(F)F)c4)cc13)N(C)S(=O)(=O)CC2",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 15561,
   "comp_id": "H9X",
   "ikey_connectivity": "VADPHRCUIKWCQV",
   "smiles": "O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1NS(O)(O)c1ccc(Br)cc1",
   "targets": [
    "UNP:Q8VZS8"
   ]
  },
  {
   "line": 6722,
   "comp_id": "9SM",
   "ikey_connectivity": "NDXUMNONGSWWQV",
   "smiles": "CC(=O)NC1C(CC(O)CO)OC(F)(C(=O)O)C(F)C1O",
   "targets": [
    "UNP:P03472"
   ]
  },
  {
   "line": 6570,
   "comp_id": "9LM",
   "ikey_connectivity": "TYBYSTDSEWDDKH",
   "smiles": "CC(C)NC(=O)n1c(-c2ccccc2)cc2c1CN(S(=O)(=O)c1cccs1)CC2",
   "targets": [
    "UNP:Q15788",
    "UNP:Q96RI1"
   ]
  },
  {
   "line": 3625,
   "comp_id": "5KW",
   "ikey_connectivity": "NQUKOQARFOAHTI",
   "smiles": "CN1CCN(c2ccc(Nc3ncc(Cl)c(Oc4ccccc4NC(=O)CCl)n3)cc2)CC1",
   "targets": [
    "UNP:O43318",
    "UNP:Q15750"
   ]
  },
  {
   "line": 24206,
   "comp_id": "UI3",
   "ikey_connectivity": "KQUXAFOLFXHVQN",
   "smiles": "COc1ccc2ccc(C(=N)N)cc2c1-c1cnn(S(C)(=O)=O)c1",
   "targets": [
    "UNP:P00749"
   ]
  },
  {
   "line": 6938,
   "comp_id": "A1A1B",
   "ikey_connectivity": "FOLSZCLZVLICGG",
   "smiles": "CCC(N)c1nc(N2CCCC2C)cc2c1CN(c1cccc(-c3nnc4n3C(C)CC4)n1)C2=O",
   "targets": [
    "UNP:Q92918"
   ]
  },
  {
   "line": 22022,
   "comp_id": "R37",
   "ikey_connectivity": "APJAEXGNDLFGPD",
   "smiles": "Cc1cccc(C)c1OCC(=O)NC(Cc1ccccc1)C(O)CC(CC(C)C)NC(=O)c1ccc(N)cc1",
   "targets": [
    "UNP:P46925"
   ]
  },
  {
   "line": 10094,
   "comp_id": "A1IX0",
   "ikey_connectivity": "PEYFZVKBZWMBBG",
   "smiles": "O=C(O)CC(c1ccc2c(c1)OCCO2)c1ccc2ccc(OCC(=O)NC3CCCCC3)cc2c1",
   "targets": [
    "UNP:Q9Z2X8"
   ]
  },
  {
   "line": 27647,
   "comp_id": "ZPX",
   "ikey_connectivity": "YTBFVFURRJQMRL",
   "smiles": "CC(NC(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)Cn2cccn2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 26892,
   "comp_id": "YFJ",
   "ikey_connectivity": "SLQNWICAFNPZCB",
   "smiles": "O=C1NCCc2c1[nH]c1c(-c3ccncc3)cccc21",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 2040,
   "comp_id": "37J",
   "ikey_connectivity": "GUWQZSKMUJFZMM",
   "smiles": "O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1csc(NC(=O)c2ccccc2OC(F)(F)F)n1",
   "targets": [
    "UNP:P48730"
   ]
  },
  {
   "line": 1135,
   "comp_id": "1T8",
   "ikey_connectivity": "NKAIBDUEJMTLGH",
   "smiles": "COC(=O)NC(C(=O)NN(CCCC1(O)Cc2ccc(cc2)CC=CCNC(=O)C(C(C)C)NC1=O)Cc1ccc(-c2cccnc2)cc1)C(C)(C)C",
   "targets": [
    "UNP:P03366"
   ]
  },
  {
   "line": 21004,
   "comp_id": "PLM",
   "ikey_connectivity": "IPCSVZSSVZVIGE",
   "smiles": "CCCCCCCCCCCCCCCC(=O)O",
   "targets": [
    "UNP:A0A023H437",
    "UNP:A0A0C2DGE5",
    "UNP:A0A0F8R9A0",
    "UNP:A0A0G2JU28",
    "UNP:A0A0H2WZL3",
    "UNP:A0A0K1U2R1",
    "UNP:A0A0U1MWF9",
    "UNP:A0A1A9TAH8",
    "UNP:A0A1B1AB35",
    "UNP:A0A1D5AKC8",
    "UNP:A0A1H3JYQ0",
    "UNP:A0A1H3KVX9",
    "UNP:A0A1H3PUB4",
    "UNP:A0A1H3PUN8",
    "UNP:A0A1H3PUR7",
    "UNP:A0A1U9XQA4",
    "UNP:A0A2D0TCJ8",
    "UNP:A0A2L1K3Q4",
    "UNP:A0A2L1K3U8",
    "UNP:A0A2P6TC44",
    "UNP:A0A2P6THB2",
    "UNP:A0A2P6TKF8",
    "UNP:A0A2P6TMI2",
    "UNP:A0A2P6TMT4",
    "UNP:A0A2P6TMX4",
    "UNP:A0A2P6TPR7",
    "UNP:A0A2P6TPU7",
    "UNP:A0A2P6TPV8",
    "UNP:A0A2P6TQ14",
    "UNP:A0A2P6TS63",
    "UNP:A0A2P6TT36",
    "UNP:A0A2P6TZ50",
    "UNP:A0A2P6TZI8",
    "UNP:A0A2P6U0J1",
    "UNP:A0A2P6U4K1",
    "UNP:A0A2P6U4S6",
    "UNP:A0A2R4S913",
    "UNP:A0A2S0RQC2",
    "UNP:A0A2U9GGW3",
    "UNP:A0A2U9PNL2",
    "UNP:A0A378KFD4",
    "UNP:A0A4R2PIK4",
    "UNP:A0A4R2PKF8",
    "UNP:A0A4R2PKR2",
    "UNP:A0A4R2PMJ4",
    "UNP:A0A5C3EAQ1",
    "UNP:A0A653FDI6",
    "UNP:A0A7T7KAA0",
    "UNP:A0A7T7KB31",
    "UNP:A0A7U3W892",
    "UNP:A0A8J9SKQ8",
    "UNP:A0AAE9XF26",
    "UNP:A0ABF7SXE4",
    "UNP:A0ABF7SXE5",
    "UNP:A0ABF7SXE6",
    "UNP:A0ABF7SXE7",
    "UNP:A0ABF7SXE8",
    "UNP:A0ABF7SXE9",
    "UNP:A0ABF7SXF0",
    "UNP:A0ABM7QP23",
    "UNP:A0ABM7QQ47",
    "UNP:A0QQQ1",
    "UNP:A0QVH4",
    "UNP:A0QVL2",
    "UNP:A0QWG5",
    "UNP:A0R049",
    "UNP:A0R050",
    "UNP:A0R051",
    "UNP:A0R052",
    "UNP:A0R056",
    "UNP:A0R057",
    "UNP:A0R0M4",
    "UNP:A0R1B5",
    "UNP:A0R1B6",
    "UNP:A0R562",
    "UNP:A1WWW5",
    "UNP:A1WWW6",
    "UNP:A1WXF5",
    "UNP:A1WXF6",
    "UNP:A1WXF7",
    "UNP:A1WXF8",
    "UNP:A1WXF9",
    "UNP:A1WXH6",
    "UNP:A1WXI3",
    "UNP:A3EXD0",
    "UNP:A3RL54",
    "UNP:A4F7B2",
    "UNP:A5FE81",
    "UNP:A5FJ21",
    "UNP:A5FJ90",
    "UNP:A5FK27",
    "UNP:A5FLQ8",
    "UNP:A5FNX9",
    "UNP:A7ZI09",
    "UNP:A7ZI10",
    "UNP:A8ALU5",
    "UNP:A8HBN5",
    "UNP:A8IFG7",
    "UNP:A8IKC8",
    "UNP:A8IL32",
    "UNP:A8ITV3",
    "UNP:B0R2U4",
    "UNP:B1MDD0",
    "UNP:B1MDZ6",
    "UNP:B1MGY1",
    "UNP:B1MIN6",
    "UNP:B1MMU1",
    "UNP:B1MMU2",
    "UNP:B1MNZ2",
    "UNP:B1MNZ3",
    "UNP:B1MNZ7",
    "UNP:B1MNZ8",
    "UNP:B1MNZ9",
    "UNP:B1MP00",
    "UNP:B2BM43",
    "UNP:B2RH82",
    "UNP:B2RHH3",
    "UNP:B2RK12",
    "UNP:B2RKY8",
    "UNP:B2RLK9",
    "UNP:B5XGR7",
    "UNP:B5Z8H1",
    "UNP:C0XPZ5",
    "UNP:C3SHQ8",
    "UNP:C3TPJ2",
    "UNP:C4B607",
    "UNP:C9K0Z0",
    "UNP:D0QXH8",
    "UNP:D1A9M1",
    "UNP:D1MN74",
    "UNP:D2AGE2",
    "UNP:D3KZG3",
    "UNP:D3RP67",
    "UNP:D3RP68",
    "UNP:D3RP69",
    "UNP:D3RP74",
    "UNP:D3RP75",
    "UNP:D3RPF6",
    "UNP:D9IEF7",
    "UNP:E7CRL4",
    "UNP:F1QXD3",
    "UNP:F5BZJ3",
    "UNP:F5H948",
    "UNP:F8QQG5",
    "UNP:G0S652",
    "UNP:G3V914",
    "UNP:I6WYY7",
    "UNP:I6X811",
    "UNP:I6Y482",
    "UNP:I6YGV9",
    "UNP:I7AVS5",
    "UNP:I7FGS8",
    "UNP:I7FHC3",
    "UNP:I7FPH1",
    "UNP:I7FT03",
    "UNP:I7GD61",
    "UNP:I7K3R8",
    "UNP:L0TEV4",
    "UNP:L7T0L4",
    "UNP:L7UV52",
    "UNP:L8B8J6",
    "UNP:O14684",
    "UNP:O15439",
    "UNP:O15455",
    "UNP:O15540",
    "UNP:O15552",
    "UNP:O24782",
    "UNP:O31440",
    "UNP:O34697",
    "UNP:O34741",
    "UNP:O35044",
    "UNP:O35089",
    "UNP:O35449",
    "UNP:O42721",
    "UNP:O43617",
    "UNP:O53579",
    "UNP:O55013",
    "UNP:O59952",
    "UNP:O60291",
    "UNP:O60603",
    "UNP:O60894",
    "UNP:O60895",
    "UNP:O60896",
    "UNP:O67648",
    "UNP:O75084",
    "UNP:O75865",
    "UNP:O76054",
    "UNP:O82947",
    "UNP:O88602",
    "UNP:O91734",
    "UNP:O93430",
    "UNP:P00592",
    "UNP:P00720",
    "UNP:P01024",
    "UNP:P01031",
    "UNP:P01123",
    "UNP:P01213",
    "UNP:P01215",
    "UNP:P01222",
    "UNP:P01225",
    "UNP:P01270",
    "UNP:P01286",
    "UNP:P01887",
    "UNP:P02689",
    "UNP:P02699",
    "UNP:P02710",
    "UNP:P02712",
    "UNP:P02714",
    "UNP:P02718",
    "UNP:P02753",
    "UNP:P02754",
    "UNP:P02768",
    "UNP:P02771",
    "UNP:P03300",
    "UNP:P03301",
    "UNP:P03302",
    "UNP:P03313",
    "UNP:P04117",
    "UNP:P04896",
    "UNP:P05413",
    "UNP:P06210",
    "UNP:P06881",
    "UNP:P07148",
    "UNP:P07550",
    "UNP:P08174",
    "UNP:P08291",
    "UNP:P08908",
    "UNP:P09144",
    "UNP:P09455",
    "UNP:P09471",
    "UNP:P0A0N2",
    "UNP:P0A386",
    "UNP:P0A431",
    "UNP:P0A444",
    "UNP:P0A912",
    "UNP:P0ABE7",
    "UNP:P0ADC3",
    "UNP:P0ADN6",
    "UNP:P0C1B3",
    "UNP:P0CD76",
    "UNP:P0CE82",
    "UNP:P0DMH7",
    "UNP:P10632",
    "UNP:P10997",
    "UNP:P11404",
    "UNP:P11609",
    "UNP:P12154",
    "UNP:P12272",
    "UNP:P12352",
    "UNP:P12356",
    "UNP:P12969",
    "UNP:P14224",
    "UNP:P14225",
    "UNP:P14867",
    "UNP:P15090",
    "UNP:P16009",
    "UNP:P16473",
    "UNP:P16671",
    "UNP:P18507",
    "UNP:P18509",
    "UNP:P18886",
    "UNP:P19490",
    "UNP:P19491",
    "UNP:P19493",
    "UNP:P19656",
    "UNP:P19793",
    "UNP:P21404",
    "UNP:P21453",
    "UNP:P21462",
    "UNP:P21728",
    "UNP:P21730",
    "UNP:P21850",
    "UNP:P21918",
    "UNP:P23818",
    "UNP:P23930",
    "UNP:P23945",
    "UNP:P25090",
    "UNP:P27105",
    "UNP:P28039",
    "UNP:P28472",
    "UNP:P28702",
    "UNP:P29972",
    "UNP:P30988",
    "UNP:P31356",
    "UNP:P31554",
    "UNP:P31602",
    "UNP:P31639",
    "UNP:P32241",
    "UNP:P32436",
    "UNP:P32613",
    "UNP:P32893",
    "UNP:P34972",
    "UNP:P34998",
    "UNP:P36149",
    "UNP:P38334",
    "UNP:P38631",
    "UNP:P39234",
    "UNP:P41143",
    "UNP:P41145",
    "UNP:P41222",
    "UNP:P41235",
    "UNP:P41912",
    "UNP:P42461",
    "UNP:P42592",
    "UNP:P43657",
    "UNP:P45478",
    "UNP:P46089",
    "UNP:P46944",
    "UNP:P48443",
    "UNP:P49190",
    "UNP:P51762",
    "UNP:P51763",
    "UNP:P51996",
    "UNP:P54311",
    "UNP:P54826",
    "UNP:P55011",
    "UNP:P55089",
    "UNP:P55899",
    "UNP:P59087",
    "UNP:P59768",
    "UNP:P59777",
    "UNP:P60775",
    "UNP:P60955",
    "UNP:P61316",
    "UNP:P61320",
    "UNP:P61769",
    "UNP:P62873",
    "UNP:P62874",
    "UNP:P63092",
    "UNP:P63096",
    "UNP:P63097",
    "UNP:P63212",
    "UNP:P63213",
    "UNP:P69776",
    "UNP:P75957",
    "UNP:P75958",
    "UNP:P78310",
    "UNP:P80547",
    "UNP:P83812",
    "UNP:P90551",
    "UNP:P93002",
    "UNP:P96787",
    "UNP:P9WFK1",
    "UNP:P9WH23",
    "UNP:P9WHR3",
    "UNP:P9WLZ7",
    "UNP:P9WM67",
    "UNP:P9WP35",
    "UNP:P9WP37",
    "UNP:P9WPF3",
    "UNP:P9WQ47",
    "UNP:Q00914",
    "UNP:Q01118",
    "UNP:Q01469",
    "UNP:Q02643",
    "UNP:Q02970",
    "UNP:Q03337",
    "UNP:Q03431",
    "UNP:Q03559",
    "UNP:Q03630",
    "UNP:Q03660",
    "UNP:Q03784",
    "UNP:Q04183",
    "UNP:Q05093",
    "UNP:Q05769",
    "UNP:Q06551",
    "UNP:Q07307",
    "UNP:Q07869",
    "UNP:Q0GY13",
    "UNP:Q11069",
    "UNP:Q12053",
    "UNP:Q13113",
    "UNP:Q13324",
    "UNP:Q13336",
    "UNP:Q13635",
    "UNP:Q13639",
    "UNP:Q15399",
    "UNP:Q15465",
    "UNP:Q15562",
    "UNP:Q15596",
    "UNP:Q15788",
    "UNP:Q16581",
    "UNP:Q16873",
    "UNP:Q16LC3",
    "UNP:Q25733",
    "UNP:Q28175",
    "UNP:Q2QRV3",
    "UNP:Q333D9",
    "UNP:Q39234",
    "UNP:Q39615",
    "UNP:Q3L887",
    "UNP:Q3U128",
    "UNP:Q4WZA5",
    "UNP:Q5GL29",
    "UNP:Q5JWF2",
    "UNP:Q5KW80",
    "UNP:Q5NCF2",
    "UNP:Q5NUL3",
    "UNP:Q5SJQ7",
    "UNP:Q5T9L3",
    "UNP:Q5VTY9",
    "UNP:Q5XEZ5",
    "UNP:Q5Y388",
    "UNP:Q64663",
    "UNP:Q66282",
    "UNP:Q6DC22",
    "UNP:Q6DGL5",
    "UNP:Q6QNK2",
    "UNP:Q6ZMG9",
    "UNP:Q71RJ2",
    "UNP:Q75VY6",
    "UNP:Q75VY7",
    "UNP:Q75VY8",
    "UNP:Q75VY9",
    "UNP:Q75VZ0",
    "UNP:Q79VD7",
    "UNP:Q79VE8",
    "UNP:Q79VE9",
    "UNP:Q7MXJ7",
    "UNP:Q7N647",
    "UNP:Q7N648",
    "UNP:Q7PXT9",
    "UNP:Q7V6D4",
    "UNP:Q7WBE0",
    "UNP:Q7Z5G4",
    "UNP:Q7Z7J7",
    "UNP:Q7Z7M0",
    "UNP:Q83LX4",
    "UNP:Q83SQ0",
    "UNP:Q84Y02",
    "UNP:Q86PR3",
    "UNP:Q86SZ2",
    "UNP:Q86UW1",
    "UNP:Q86UW2",
    "UNP:Q86Y34",
    "UNP:Q8B3S1",
    "UNP:Q8CM25",
    "UNP:Q8DHA7",
    "UNP:Q8DHJ2",
    "UNP:Q8DIF8",
    "UNP:Q8DIN8",
    "UNP:Q8DIN9",
    "UNP:Q8DIP0",
    "UNP:Q8DIQ0",
    "UNP:Q8DIQ1",
    "UNP:Q8DJ43",
    "UNP:Q8DJI1",
    "UNP:Q8DJZ6",
    "UNP:Q8DP17",
    "UNP:Q8DWA2",
    "UNP:Q8GCR2",
    "UNP:Q8GUH7",
    "UNP:Q8N6N7",
    "UNP:Q8NFZ4",
    "UNP:Q8NHV5",
    "UNP:Q8NMB4",
    "UNP:Q8NN60",
    "UNP:Q8NNK2",
    "UNP:Q8NNK3",
    "UNP:Q8NNK5",
    "UNP:Q8NP09",
    "UNP:Q8NS61",
    "UNP:Q8NSJ8",
    "UNP:Q8NTD4",
    "UNP:Q8NXM4",
    "UNP:Q8R4A8",
    "UNP:Q8SCZ8",
    "UNP:Q8TDS7",
    "UNP:Q8TDU6",
    "UNP:Q8TZI9",
    "UNP:Q8V635",
    "UNP:Q8VHW2",
    "UNP:Q8VHW5",
    "UNP:Q8VHX0",
    "UNP:Q92793",
    "UNP:Q93640",
    "UNP:Q93ZE2",
    "UNP:Q94KI8",
    "UNP:Q96A98",
    "UNP:Q98SW6",
    "UNP:Q99394",
    "UNP:Q99500",
    "UNP:Q99572",
    "UNP:Q99788",
    "UNP:Q99969",
    "UNP:Q9AEL8",
    "UNP:Q9BY76",
    "UNP:Q9C8G5",
    "UNP:Q9C8L2",
    "UNP:Q9C9C9",
    "UNP:Q9CQP2",
    "UNP:Q9F1K9",
    "UNP:Q9F1L5",
    "UNP:Q9F1R6",
    "UNP:Q9GK12",
    "UNP:Q9H1J5",
    "UNP:Q9H227",
    "UNP:Q9HUS3",
    "UNP:Q9I0Y7",
    "UNP:Q9I596",
    "UNP:Q9K8A4",
    "UNP:Q9KN60",
    "UNP:Q9LS46",
    "UNP:Q9NY72",
    "UNP:Q9PYF2",
    "UNP:Q9R0G6",
    "UNP:Q9U9J6",
    "UNP:Q9UBH6",
    "UNP:Q9UBK2",
    "UNP:Q9UHI7",
    "UNP:Q9X1H9",
    "UNP:Q9XXE7",
    "UNP:Q9Y296",
    "UNP:Q9Y397",
    "UNP:Q9Z1M0",
    "UNP:S5PN91",
    "UNP:W2SRJ3",
    "UNP:W8SIP9",
    "UNP:W8SKM2",
    "UNP:W8SU98",
    "UNP:W8SUA3",
    "UNP:W8SUD1",
    "UNP:W8SY74"
   ]
  },
  {
   "line": 4038,
   "comp_id": "65Q",
   "ikey_connectivity": "DAABFILHHVUIKM",
   "smiles": "Cc1c(Sc2cccc(OC(F)(F)F)c2)sc2nc(N)nc(N)c12",
   "targets": [
    "UNP:P00374"
   ]
  },
  {
   "line": 6375,
   "comp_id": "9BU",
   "ikey_connectivity": "CDSDGHDLPGSGAB",
   "smiles": "CC(=CCOC(=O)C(C)C)CCC(C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O",
   "targets": [
    "UNP:Q02127"
   ]
  },
  {
   "line": 12327,
   "comp_id": "CGF",
   "ikey_connectivity": "LAKOUYZWWLMCSL",
   "smiles": "[N-]=[N+]=NC1(C(N)O)OC(CO)C(O)C(O)C1O",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 15700,
   "comp_id": "HIL",
   "ikey_connectivity": "QSHAUPNEMLVHPI",
   "smiles": "NS(=O)(=O)c1ccc(CCNC(=O)N2CC(=O)N3CCc4ccccc4C3C2)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 21464,
   "comp_id": "QC2",
   "ikey_connectivity": "QVSDPEWGBYKEDU",
   "smiles": "O=C(O)c1ccnc(-n2nccc2-c2cccc(O)c2)c1",
   "targets": [
    "UNP:O75164"
   ]
  },
  {
   "line": 19339,
   "comp_id": "N0O",
   "ikey_connectivity": "MRZHVMLGHCTVMT",
   "smiles": "O=C(Nc1nncn1-c1ccccc1)C1COc2ccc(Cl)cc21",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 3899,
   "comp_id": "5YZ",
   "ikey_connectivity": "VCHMYWXCLCHLBE",
   "smiles": "C#CCNC(=O)c1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCN(Cc3ccc(O)c(C)c3)CC2)n1",
   "targets": [
    "UNP:O14965"
   ]
  },
  {
   "line": 6750,
   "comp_id": "9TU",
   "ikey_connectivity": "JHAONYPOHPLZAQ",
   "smiles": "NC(CCCCNC(=O)OCc1cccc(C2(C(F)(F)F)N=N2)c1)C(=O)O",
   "targets": [
    "UNP:Q8PWY1"
   ]
  },
  {
   "line": 19772,
   "comp_id": "NQ2",
   "ikey_connectivity": "YTBODSVQSOILIJ",
   "smiles": "COc1ncc(-c2cc3c(c(OCCN4CCC(C(C)(C)O)CC4)c2)COC3)cc1NS(C)(=O)=O",
   "targets": [
    "UNP:O35904"
   ]
  },
  {
   "line": 4812,
   "comp_id": "78K",
   "ikey_connectivity": "UCWJYOSDGSOMTM",
   "smiles": "COCn1cc(CN(CCC(N)C(=O)O)CC2OC(n3cnc4c(N)ncnc43)C(O)C2O)c(N)nc1=O",
   "targets": [
    "UNP:Q6NZB1",
    "UNP:Q9WVG6"
   ]
  },
  {
   "line": 7201,
   "comp_id": "A1AF5",
   "ikey_connectivity": "RBVHLCAWUKSDHN",
   "smiles": "c1ccc2c(-c3ccc4nnn(CCN5CCNCC5)c4c3)c[nH]c2c1",
   "targets": [
    "UNP:P48775"
   ]
  },
  {
   "line": 1940,
   "comp_id": "323",
   "ikey_connectivity": "ZFGLYCCNMJCDCP",
   "smiles": "CN(C)c1ccc2c(-c3ccc(C=O)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1",
   "targets": [
    "UNP:O43524",
    "UNP:P0A988",
    "UNP:P33767",
    "UNP:P39007",
    "UNP:P41543",
    "UNP:P46964",
    "UNP:P48439",
    "UNP:P62258",
    "UNP:Q02795",
    "UNP:Q92316",
    "UNP:Q99380"
   ]
  },
  {
   "line": 19102,
   "comp_id": "ML7",
   "ikey_connectivity": "HWMDJNJNDQETFD",
   "smiles": "O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)c1",
   "targets": [
    "UNP:Q9H7Z6"
   ]
  },
  {
   "line": 16350,
   "comp_id": "IKQ",
   "ikey_connectivity": "ATBIRKHGICSWAG",
   "smiles": "O=C1C=C(O)CC(C=CC2CCCCC2c2ccccc2)O1",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 10208,
   "comp_id": "A1JC3",
   "ikey_connectivity": "NIHBOOKOQZGYSF",
   "smiles": "COCCN(CC1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc2ccccc2c1",
   "targets": [
    "UNP:P06276"
   ]
  },
  {
   "line": 1097,
   "comp_id": "1R4",
   "ikey_connectivity": "DFOFAMKKGYFIOO",
   "smiles": "NC(CCC(=O)NC(CSCC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)O)C(=O)O",
   "targets": [
    "UNP:P78417"
   ]
  },
  {
   "line": 20546,
   "comp_id": "OVR",
   "ikey_connectivity": "WTQYWNWRJNXDEG",
   "smiles": "CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C(O)C2",
   "targets": [
    "UNP:P24397",
    "UNP:Q9XJ43"
   ]
  },
  {
   "line": 9400,
   "comp_id": "A1H46",
   "ikey_connectivity": "RKBUTLKOTGZCGA",
   "smiles": "CN(C)CCCC(=O)Nc1ccc(C(=O)NC2(C)CCCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1",
   "targets": [
    "UNP:P50613",
    "UNP:P51946",
    "UNP:P51948"
   ]
  },
  {
   "line": 18412,
   "comp_id": "LFX",
   "ikey_connectivity": "GSDSWSVVBLHKDQ",
   "smiles": "CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23",
   "targets": [
    "UNP:P9WG45",
    "UNP:P9WG47"
   ]
  },
  {
   "line": 15391,
   "comp_id": "H2U",
   "ikey_connectivity": "NBWDKGJHOHJBRJ",
   "smiles": "O=C1CCN(C2OC(COP(=O)(O)O)C(O)C2O)C(=O)N1",
   "targets": [
    "UNP:O26232",
    "UNP:P07902",
    "UNP:P43889"
   ]
  },
  {
   "line": 7586,
   "comp_id": "A1B0P",
   "ikey_connectivity": "YDPJOGQGKXEOGX",
   "smiles": "CC1C(C(=O)N2CCCC2)CCCN1S(C)(=O)=O",
   "targets": [
    "UNP:Q91H74"
   ]
  },
  {
   "line": 3627,
   "comp_id": "5KZ",
   "ikey_connectivity": "CXIJBWKOZIQDPV",
   "smiles": "CC(=O)OCC1OC(S(=O)(=O)NCCCCCOS(N)(=O)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 15590,
   "comp_id": "HC1",
   "ikey_connectivity": "PFAZAYCJBAWPPW",
   "smiles": "O=[C]1[Fe]2([C]#[O+])([C]#[O+])[SH]3O[SH]2[Fe]13([OH])([C]#[O+])[C]#[O+]",
   "targets": [
    "UNP:A0A097ATG3",
    "UNP:A0A097ATG4",
    "UNP:A0A097ATI0",
    "UNP:H6LFG3",
    "UNP:H6LFG4",
    "UNP:H6LFG7",
    "UNP:P29166"
   ]
  },
  {
   "line": 27615,
   "comp_id": "ZOA",
   "ikey_connectivity": "INPDIBARMWLENP",
   "smiles": "CCOC(=O)c1cnc2c(NC(=S)NCc3ccc(S(N)(=O)=O)cc3)cnn2c1C",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 1262,
   "comp_id": "1ZZ",
   "ikey_connectivity": "IKBWVSPLSBIYSK",
   "smiles": "CCCCCCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q5ZTD3"
   ]
  },
  {
   "line": 2821,
   "comp_id": "4EY",
   "ikey_connectivity": "NSIYRWZYSRADIJ",
   "smiles": "O=C(S)c1cc(C=S)c[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1",
   "targets": [
    "UNP:A0A917NHY8",
    "UNP:E8QWZ4",
    "UNP:F9USS9"
   ]
  },
  {
   "line": 13429,
   "comp_id": "E6V",
   "ikey_connectivity": "MNENNUUKHSBOKZ",
   "smiles": "CC1CCCCCCCCC(=O)N(C)C(C)C(=O)NC(C(O)CNC2CC(C)(C)Oc3ccc(C(C)C)cc32)C1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 10084,
   "comp_id": "A1IW4",
   "ikey_connectivity": "FTULXIJEWZULEB",
   "smiles": "O=C1CCC(n2c3ccccc3c3ccccc32)C(=O)N1",
   "targets": [
    "UNP:A4TVL0"
   ]
  },
  {
   "line": 4027,
   "comp_id": "659",
   "ikey_connectivity": "ZHVVVGDBOITDFN",
   "smiles": "CNc1ncnc2c1ncn2C1OC(C=CCNC(=O)c2cc(-c3ccc(F)cc3)cc(O)c2O)C(F)C1O",
   "targets": [
    "UNP:P22734"
   ]
  },
  {
   "line": 23838,
   "comp_id": "TZ1",
   "ikey_connectivity": "KWDHWMGDHBBJIA",
   "smiles": "O=C(Nc1nnc(Sc2ccnc3cc(Cl)ccc23)s1)c1cccs1",
   "targets": [
    "UNP:P29597"
   ]
  },
  {
   "line": 2083,
   "comp_id": "39L",
   "ikey_connectivity": "MGBVLKIPHVCMLV",
   "smiles": "O=P(O)(O)C(F)(Cc1cnc2ccccn12)P(=O)(O)O",
   "targets": [
    "UNP:P14324"
   ]
  },
  {
   "line": 2035,
   "comp_id": "379",
   "ikey_connectivity": "LWRKOPLMYMXZKW",
   "smiles": "NC(CCc1cccnc1)P(=O)(O)CC(Cc1ccccc1)C(=O)O",
   "targets": [
    "UNP:Q9JYV4"
   ]
  },
  {
   "line": 2225,
   "comp_id": "3IV",
   "ikey_connectivity": "JGMYDQCXGIMHLL",
   "smiles": "CCCCC=CCCCCCCCCCC(=O)O",
   "targets": [
    "UNP:P29016",
    "UNP:P61769"
   ]
  },
  {
   "line": 2810,
   "comp_id": "4E5",
   "ikey_connectivity": "RMJSXKKIOKMPOU",
   "smiles": "O=C(O)c1cc(O)cc(C2CCNC2C(=O)O)c1",
   "targets": [
    "UNP:P19491"
   ]
  },
  {
   "line": 14039,
   "comp_id": "F28",
   "ikey_connectivity": "DIWMCVCOMCANGI",
   "smiles": "O=CN1CCC(N2C(=O)C(c3ccccc3)C2c2ccccc2)CC1",
   "targets": [
    "UNP:Q99685"
   ]
  },
  {
   "line": 20200,
   "comp_id": "OCJ",
   "ikey_connectivity": "SDZHQRUPXPKDOD",
   "smiles": "NC(=O)c1cc2c(-c3ccc(C(=O)NCc4cccc(N)c4)s3)cccc2s1",
   "targets": [
    "UNP:P11309",
    "UNP:Q13523"
   ]
  },
  {
   "line": 14228,
   "comp_id": "FDF",
   "ikey_connectivity": "PVNRGYDHHSWPHV",
   "smiles": "CC(=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O)CCC=C(CF)CF",
   "targets": [
    "UNP:Q55012"
   ]
  },
  {
   "line": 18290,
   "comp_id": "L91",
   "ikey_connectivity": "SYYQNYIBIFOCPS",
   "smiles": "CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O",
   "targets": [
    "UNP:P29597"
   ]
  },
  {
   "line": 20059,
   "comp_id": "O69",
   "ikey_connectivity": "YXZCMQAWBHCPMS",
   "smiles": "CNC(=O)C1CC(n2c(-c3cncc4ccccc34)nc3cccc(C(=O)NC(C)c4ccc5ccccc5c4)c32)C1",
   "targets": [
    "UNP:A0A7U3H5H9",
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 27289,
   "comp_id": "YVU",
   "ikey_connectivity": "UTFOOFWJWOBJJY",
   "smiles": "Nc1ncnc2c1ncn2C1OC(CSCCNC(=O)NCc2ccccc2)C(O)C1O",
   "targets": [
    "UNP:O60678",
    "UNP:Q86X55"
   ]
  },
  {
   "line": 26582,
   "comp_id": "Y24",
   "ikey_connectivity": "NCEAZVHIMHJKAN",
   "smiles": "CC(CC(CC(CC(CCN1CCCC1=O)N1CCCC1=O)N1CCCC1=O)N1CCCC1=O)N1CCCC1=O",
   "targets": [
    "UNP:C6H0Y9"
   ]
  },
  {
   "line": 19359,
   "comp_id": "N1Q",
   "ikey_connectivity": "QCLXNOBXQUWUEW",
   "smiles": "COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1",
   "targets": [
    "UNP:P49841"
   ]
  },
  {
   "line": 6943,
   "comp_id": "A1A1I",
   "ikey_connectivity": "PEFFWGHBPAOARC",
   "smiles": "Cc1cc(S(=O)(=O)C2CC3(CCN(CC4CCN(c5ccc6c(c5F)n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)CC3)C2)ccc1Nc1ncc2ccc(=O)n(C3CCCC3)c2n1",
   "targets": [
    "UNP:P24864",
    "UNP:P24941",
    "UNP:Q16531",
    "UNP:Q96SW2"
   ]
  },
  {
   "line": 22715,
   "comp_id": "S31",
   "ikey_connectivity": "",
   "smiles": "[N-]=[N+]=[N-]->[Cu]12([OH])<-[n]3ccccc3CC[N]->1(CCCNC(=O)CCCCC1SCC3NC(=O)NC31)CCc1cccc[n]->21",
   "targets": [
    "UNP:P22629"
   ]
  },
  {
   "line": 9133,
   "comp_id": "A1EKY",
   "ikey_connectivity": "LGWZZMCTBPCKHR",
   "smiles": "Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCNCC1",
   "targets": [
    "UNP:E2QFN4"
   ]
  },
  {
   "line": 13838,
   "comp_id": "ER6",
   "ikey_connectivity": "IJWLQMUBOJDFNL",
   "smiles": "O=C(O)C1CCCN(c2nc3ccccc3n3cccc23)C1",
   "targets": [
    "UNP:Q8N884"
   ]
  },
  {
   "line": 25590,
   "comp_id": "WNT",
   "ikey_connectivity": "WFIUAGOQGGAREU",
   "smiles": "COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)CCCC(C)OC2=O",
   "targets": [
    "UNP:P63086"
   ]
  },
  {
   "line": 14270,
   "comp_id": "FFS",
   "ikey_connectivity": "KLRNKMZSARWWTH",
   "smiles": "Clc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1",
   "targets": [
    "UNP:P01112",
    "UNP:Q07889"
   ]
  },
  {
   "line": 9537,
   "comp_id": "A1I1B",
   "ikey_connectivity": "MRXDGVXSWIXTQL",
   "smiles": "CC(C)CC(NC(=O)C(NC(=O)NC(Cc1ccccc1)C(=O)O)C1CCN=C(N)N1)C(=O)NC(C=O)Cc1ccccc1",
   "targets": [
    "UNP:Q93IQ4"
   ]
  },
  {
   "line": 3888,
   "comp_id": "5YI",
   "ikey_connectivity": "PIRFBNFXEQEXIT",
   "smiles": "CCC(O)(CC)CSC(C)C1=CCC2C(=CC=C3CC(O)C(=CCO)C(O)C3)CCCC12C",
   "targets": [
    "UNP:P13053"
   ]
  },
  {
   "line": 21503,
   "comp_id": "QED",
   "ikey_connectivity": "UPWYYPIMZVCQNS",
   "smiles": "O=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(O)c1O",
   "targets": [
    "UNP:P80188"
   ]
  },
  {
   "line": 950,
   "comp_id": "1JD",
   "ikey_connectivity": "AAGISEXHOPCAHZ",
   "smiles": "Cc1ccc(NC(=O)C(COC(C)C)Oc2ncnc3c2cnn3-c2ncccc2Cl)nc1",
   "targets": [
    "UNP:P35557"
   ]
  },
  {
   "line": 7923,
   "comp_id": "A1BIV",
   "ikey_connectivity": "AHQASKURDHESBQ",
   "smiles": "CN1C(=O)C(c2c(-c3ccc(Cl)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)c2ccccc21",
   "targets": [
    "UNP:A4D1P6"
   ]
  },
  {
   "line": 15469,
   "comp_id": "H66",
   "ikey_connectivity": "CUJZAMRWOQMHTO",
   "smiles": "CCC1CCc2c(sc3nc(SCC(=O)NCCN4CCCCC4)nc(N)c23)C1",
   "targets": [
    "UNP:P9WFK7"
   ]
  },
  {
   "line": 4647,
   "comp_id": "70M",
   "ikey_connectivity": "MVSYXDAJHWZBOL",
   "smiles": "N#Cc1ccc(N2CCN(CCCCc3c[nH]c4cc(O)c(C#N)cc34)CC2)cc1",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 4573,
   "comp_id": "6WV",
   "ikey_connectivity": "KXSGDIXLRIAMPQ",
   "smiles": "CC12CCC3c4ccc(O)cc4CCC3C1CCC2Nc1ccccc1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 14397,
   "comp_id": "FM6",
   "ikey_connectivity": "ZQCVCGYWPNFEAH",
   "smiles": "O=C(c1ccccc1)N(O)CCC(c1ccc(Cl)c(Cl)c1)P(=O)(O)O",
   "targets": [
    "UNP:P9WNS1"
   ]
  },
  {
   "line": 23092,
   "comp_id": "SO5",
   "ikey_connectivity": "BEMUOEZGNHFKKE",
   "smiles": "CC(C(=O)OCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)S(=O)(=O)O",
   "targets": [
    "UNP:P52045",
    "UNP:Q8GGP1"
   ]
  },
  {
   "line": 26372,
   "comp_id": "XRP",
   "ikey_connectivity": "JAVBFNWBMPZICK",
   "smiles": "Cc1ccc(CSc2ncn(-c3ccccc3)n2)cc1",
   "targets": [
    "UNP:O15296"
   ]
  },
  {
   "line": 24432,
   "comp_id": "UUQ",
   "ikey_connectivity": "JBKRLZPXWNTYBD",
   "smiles": "Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c2ccccc2c1C#N",
   "targets": [
    "UNP:P54687"
   ]
  },
  {
   "line": 15418,
   "comp_id": "H45",
   "ikey_connectivity": "XOPUOZGTJJXXTH",
   "smiles": "N=C(Nc1cccc(CCNCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1",
   "targets": [
    "UNP:P29476"
   ]
  },
  {
   "line": 19664,
   "comp_id": "NJB",
   "ikey_connectivity": "YGQJTDMFOBJBPB",
   "smiles": "CCOc1ccc(-c2nnc(C3CC(NC(=O)c4ccnc5cccnc45)C3)n2-c2ccccc2Cl)nc1",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 15754,
   "comp_id": "HMK",
   "ikey_connectivity": "GLMPLZUBQDAZEN",
   "smiles": "Oc1ccc2c(c1)OCC1(O)c3cc4c(cc3OC21)OCO4",
   "targets": [
    "UNP:Q29U70"
   ]
  },
  {
   "line": 23942,
   "comp_id": "U50",
   "ikey_connectivity": "KYVZFSAQOGDINA",
   "smiles": "CCC(=O)N1CC(NC(=O)c2c(Cl)nc(CNc3n[nH]c4cc(Cl)c(C(C)(C)C)cc34)n2C)C1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 19977,
   "comp_id": "O2R",
   "ikey_connectivity": "BNLQGZVZNCOJKF",
   "smiles": "CCCCOc1ccc(Cl)cc1CC(=O)Nc1cnccc1C",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 9448,
   "comp_id": "A1H6C",
   "ikey_connectivity": "AQONNBBQRNVHRO",
   "smiles": "Cc1ccc(SCCC(=O)Oc2ccc(S(N)(=O)=O)cc2)cc1",
   "targets": [
    "UNP:P00915"
   ]
  },
  {
   "line": 23793,
   "comp_id": "TW2",
   "ikey_connectivity": "BJAJDULYKUREBF",
   "smiles": "Cn1c(NCc2ccccc2F)c(C#N)c2c(N)ncnc21",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 1736,
   "comp_id": "2RE",
   "ikey_connectivity": "QHKYPYXTTXKZST",
   "smiles": "Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 12151,
   "comp_id": "C6J",
   "ikey_connectivity": "DNSXFQJOCNECTD",
   "smiles": "C[n+]1ccccc1CC(P(=O)(O)O)P(=O)(O)O",
   "targets": [
    "UNP:Q1XAB1"
   ]
  },
  {
   "line": 9452,
   "comp_id": "A1H6O",
   "ikey_connectivity": "CLXVPFKDBLSVPK",
   "smiles": "Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2(F)CC2)C(C)(C)SCC2CCC(CN3CCOCC3)CC2)cc1",
   "targets": [
    "UNP:P40337",
    "UNP:Q15369",
    "UNP:Q15370"
   ]
  },
  {
   "line": 1695,
   "comp_id": "2P2",
   "ikey_connectivity": "JCVMLVYNFGCSKG",
   "smiles": "CC(C)(C)C1CCC(C(=O)N2CCCC2C(O)CO)N1C(=O)CCCc1ccccc1",
   "targets": [
    "UNP:P23687"
   ]
  },
  {
   "line": 14034,
   "comp_id": "F23",
   "ikey_connectivity": "XEZVDURJDFGERA",
   "smiles": "CCCCCCCCCCCCCCCCCCCCCCC(=O)O",
   "targets": [
    "UNP:P05413",
    "UNP:P32947"
   ]
  },
  {
   "line": 16093,
   "comp_id": "I66",
   "ikey_connectivity": "VIMMVCAKDVTEMS",
   "smiles": "CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCCC3)c12",
   "targets": [
    "UNP:I6X8D2"
   ]
  },
  {
   "line": 13737,
   "comp_id": "EM1",
   "ikey_connectivity": "IXXFZUPTQVDPPK",
   "smiles": "CCC1OC(=O)C(C)(F)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)OC12C",
   "targets": [
    "UNP:A0A0H2XHC7",
    "UNP:P02413",
    "UNP:P0A7N4",
    "UNP:P0A7P5",
    "UNP:P0AA10",
    "UNP:P60422",
    "UNP:P60438",
    "UNP:P60723",
    "UNP:P61175",
    "UNP:Q2FDE6",
    "UNP:Q2FEN8",
    "UNP:Q2FEN9",
    "UNP:Q2FEP0",
    "UNP:Q2FEP1",
    "UNP:Q2FEP2",
    "UNP:Q2FEP3",
    "UNP:Q2FEP4",
    "UNP:Q2FEP5",
    "UNP:Q2FEP6",
    "UNP:Q2FEP8",
    "UNP:Q2FEP9",
    "UNP:Q2FEQ0",
    "UNP:Q2FEQ1",
    "UNP:Q2FEQ2",
    "UNP:Q2FEQ3",
    "UNP:Q2FEQ4",
    "UNP:Q2FEQ5",
    "UNP:Q2FEQ6",
    "UNP:Q2FEQ7",
    "UNP:Q2FEQ8",
    "UNP:Q2FER2",
    "UNP:Q2FER3",
    "UNP:Q2FER4",
    "UNP:Q2FER6",
    "UNP:Q2FES1",
    "UNP:Q2FES2",
    "UNP:Q2FF08",
    "UNP:Q2FG18",
    "UNP:Q2FG57",
    "UNP:Q2FG58",
    "UNP:Q2FG80",
    "UNP:Q2FG82",
    "UNP:Q2FGD8",
    "UNP:Q2FH98",
    "UNP:Q2FHG5",
    "UNP:Q2FHI2",
    "UNP:Q2FHJ7",
    "UNP:Q2FHK0",
    "UNP:Q2FHL4",
    "UNP:Q2FHV3",
    "UNP:Q2FJ94",
    "UNP:Q2FJ95",
    "UNP:Q2FJE0",
    "UNP:Q2FJP6",
    "UNP:Q2FJP8"
   ]
  },
  {
   "line": 23442,
   "comp_id": "T99",
   "ikey_connectivity": "ROYJKVPBJVNHCQ",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(S)OP(=O)(O)OP(=O)(O)O)C(O)C1O",
   "targets": [
    "UNP:A0A1Y2HEJ3"
   ]
  },
  {
   "line": 18889,
   "comp_id": "M7G",
   "ikey_connectivity": "SBASPRRECYVBRF",
   "smiles": "C[n+]1cn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c2nc(N)[nH]c(=O)c21",
   "targets": [
    "UNP:A0A024B7W1",
    "UNP:A0A0J9X1Y8",
    "UNP:A0A0R4IKJ1",
    "UNP:D9J2T9",
    "UNP:P04311",
    "UNP:P06730",
    "UNP:P0DTD1",
    "UNP:P29557",
    "UNP:P52298",
    "UNP:P63073",
    "UNP:Q06151",
    "UNP:Q09161",
    "UNP:Q13541",
    "UNP:Q8TEQ6",
    "UNP:Q96C86",
    "UNP:Q9JJW6"
   ]
  },
  {
   "line": 9214,
   "comp_id": "A1EQ2",
   "ikey_connectivity": "YGWNLAWKHHOTHY",
   "smiles": "CCc1c(C#N)c(SC(C(N)=O)c2ccc(OC)cc2)nc2c1c(C#N)cn2CC(=O)N(C)CCN(C)C",
   "targets": [
    "UNP:P26358"
   ]
  },
  {
   "line": 10889,
   "comp_id": "A1N",
   "ikey_connectivity": "ATUUNJCZCOMUKD",
   "smiles": "CC1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CC(C)O1",
   "targets": [
    "UNP:O14757",
    "UNP:Q5S007"
   ]
  },
  {
   "line": 1500,
   "comp_id": "2CV",
   "ikey_connectivity": "ITEIKACYSCODFV",
   "smiles": "CCCCCCCCCC(=O)N(CCO)CC(O)C(O)C(O)C(O)CO",
   "targets": [
    "UNP:A0L5S6",
    "UNP:P07700",
    "UNP:P0AA25",
    "UNP:P10635"
   ]
  },
  {
   "line": 16913,
   "comp_id": "JC8",
   "ikey_connectivity": "OTLVFRDBKUDQLP",
   "smiles": "NC(=O)c1ccc(-c2cc(C3CC4CCC3N4)cnc2F)nc1",
   "targets": [
    "UNP:Q8WSF8"
   ]
  },
  {
   "line": 15739,
   "comp_id": "HL0",
   "ikey_connectivity": "TZWZKDULKILUPV",
   "smiles": "CCCCCCCCCC(=O)NC1CCOC1=O",
   "targets": [
    "UNP:D3W065",
    "UNP:P14779",
    "UNP:Q7NQP7"
   ]
  },
  {
   "line": 23812,
   "comp_id": "TX5",
   "ikey_connectivity": "HHGRMHMXKPQNGF",
   "smiles": "CC(CC#CC(C)(C)O)C1CCC2C(=CC=C3CC(O)CC(O)C3)CCCC21C",
   "targets": [
    "UNP:P11473"
   ]
  },
  {
   "line": 20357,
   "comp_id": "OLY",
   "ikey_connectivity": "JHVLSCWOJLKPBO",
   "smiles": "COC(=O)NC1(C(=O)NC2CCCCCC=CC3CC3(C(=O)NS(=O)(=O)C3(C)CC3)NC(=O)C3CC(Oc4nc5c(nc4C)CC=C(OC)C5)CN3C2=O)CCCC1",
   "targets": [
    "UNP:A0A0B4WYC6"
   ]
  },
  {
   "line": 10778,
   "comp_id": "A1LVZ",
   "ikey_connectivity": "SDPCZQPAUGWGIT",
   "smiles": "Cc1ncnc2c1c(I)cn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1F",
   "targets": [
    "UNP:P0DTD1",
    "UNP:Q6Y630"
   ]
  },
  {
   "line": 13528,
   "comp_id": "EBI",
   "ikey_connectivity": "LQVXSNNAFNGRAH",
   "smiles": "CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1",
   "targets": [
    "UNP:P08069"
   ]
  },
  {
   "line": 26198,
   "comp_id": "XJD",
   "ikey_connectivity": "DZBORIDLQAEVCV",
   "smiles": "CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC)COP(=O)(O)OCCN",
   "targets": [
    "UNP:O35433"
   ]
  },
  {
   "line": 27397,
   "comp_id": "Z7G",
   "ikey_connectivity": "YJBUGSRJCVSLKC",
   "smiles": "COc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1C(C)C",
   "targets": [
    "UNP:P51449",
    "UNP:Q15788"
   ]
  },
  {
   "line": 13462,
   "comp_id": "E8E",
   "ikey_connectivity": "VGTVWUUFUCDHSP",
   "smiles": "CC(C)CC(NC(=O)C=Cc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)C(=O)NCc1ccccc1",
   "targets": [
    "UNP:P0C6X5"
   ]
  },
  {
   "line": 24946,
   "comp_id": "VL8",
   "ikey_connectivity": "CWZMYVACWFQQKV",
   "smiles": "CCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NC",
   "targets": [
    "UNP:P32357",
    "UNP:P33334"
   ]
  },
  {
   "line": 5944,
   "comp_id": "8QQ",
   "ikey_connectivity": "RLPQYKGBXQQARM",
   "smiles": "Cn1nc2c(=O)n(CC3(O)CCN(C(=O)CC(c4ccccc4)C(F)(F)F)CC3)cnc2c1-c1ccc(CN)cc1",
   "targets": [
    "UNP:Q93009"
   ]
  },
  {
   "line": 21177,
   "comp_id": "PWT",
   "ikey_connectivity": "WAEOIFKXEDZIQC",
   "smiles": "O=CCCCC(=O)NNCc1ccccc1C(=O)O",
   "targets": [
    "UNP:Q9Y566"
   ]
  },
  {
   "line": 9748,
   "comp_id": "A1IFJ",
   "ikey_connectivity": "QEFIGJOUGVJGKG",
   "smiles": "c1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3occc3n2)cc1",
   "targets": [
    "UNP:P49841"
   ]
  },
  {
   "line": 1261,
   "comp_id": "1ZQ",
   "ikey_connectivity": "CIZBXDSIEHHRKM",
   "smiles": "Oc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)nc1O",
   "targets": [
    "UNP:C3W5S0"
   ]
  },
  {
   "line": 21455,
   "comp_id": "QBO",
   "ikey_connectivity": "MIQKAEOABWRKCI",
   "smiles": "CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3Cc3nnnn3C12C",
   "targets": [
    "UNP:P42330"
   ]
  },
  {
   "line": 12959,
   "comp_id": "DH2",
   "ikey_connectivity": "CXQWRCVTCMQVQX",
   "smiles": "O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O",
   "targets": [
    "UNP:Q96323"
   ]
  },
  {
   "line": 11463,
   "comp_id": "B28",
   "ikey_connectivity": "MPBUFKZCEBTBSK",
   "smiles": "O=P(O)(O)C(O)(Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1)P(=O)(O)O",
   "targets": [
    "UNP:P60472"
   ]
  },
  {
   "line": 25143,
   "comp_id": "VY3",
   "ikey_connectivity": "DKUYAWVMZOOWFE",
   "smiles": "CC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)N1CCN(c2ccc3c(NCCN)nc(C4(c5ccc(Cl)cc5)CCCC4)nc3c2)CC1",
   "targets": [
    "UNP:Q9Y4B6"
   ]
  },
  {
   "line": 4180,
   "comp_id": "6CM",
   "ikey_connectivity": "NPRJSFWNFTXXQC",
   "smiles": "CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCC",
   "targets": [
    "UNP:O15269",
    "UNP:O15270",
    "UNP:Q16739",
    "UNP:Q8N138",
    "UNP:Q969W0",
    "UNP:Q9Y5P4"
   ]
  },
  {
   "line": 25645,
   "comp_id": "WQO",
   "ikey_connectivity": "DWGIEIVAFVJIQU",
   "smiles": "Nc1ccc(C(=O)OC2c3ccccc3CC2C(=O)O)c(O)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 18760,
   "comp_id": "M00",
   "ikey_connectivity": "INPZIMSQNZGLHQ",
   "smiles": "CCC(CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1",
   "targets": [
    "UNP:Q9Y6F1"
   ]
  },
  {
   "line": 26112,
   "comp_id": "XF1",
   "ikey_connectivity": "KFGXONJZGIXSGH",
   "smiles": "CCCOc1cc(Cl)cc(-c2cc(-c3ccccc3C#N)cn(-c3cccnc3)c2=O)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 1557,
   "comp_id": "2G5",
   "ikey_connectivity": "FMKMCQXFKJRGIQ",
   "smiles": "O=C(O)CCC(NP(=O)(O)OCC(NC(=O)c1ccccc1)C(=O)O)C(=O)O",
   "targets": [
    "UNP:Q04609"
   ]
  },
  {
   "line": 11395,
   "comp_id": "AYH",
   "ikey_connectivity": "NGUMIHCAWWHVPZ",
   "smiles": "CCCCNC(=O)C(C)CC(O)C(Cc1ccccc1)NC(=O)C1CCCC(C(C)(C)NC(C)=O)C1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 23450,
   "comp_id": "T9N",
   "ikey_connectivity": "NYRVLHGVDPPWJS",
   "smiles": "CNc1nc(C)c(-c2nc(Nc3cccc(O)c3)ncc2C#N)s1",
   "targets": [
    "UNP:P20248",
    "UNP:P24941",
    "UNP:P30274"
   ]
  },
  {
   "line": 7224,
   "comp_id": "A1AGF",
   "ikey_connectivity": "AUDFKQBBLRSAHE",
   "smiles": "CC(C)CC(NC(=O)OCC1CCC(=O)N1Cc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 2006,
   "comp_id": "35L",
   "ikey_connectivity": "UQHCFCXQKZMZTN",
   "smiles": "[SH-2][Fe]1[SH-2]2[Fe][SH-2]3[Fe][SH-2]1[Fe]32",
   "targets": [
    "UNP:P31891",
    "UNP:P31892"
   ]
  },
  {
   "line": 6450,
   "comp_id": "9G4",
   "ikey_connectivity": "SYAJIRKWQQECEF",
   "smiles": "CC(=O)NCc1ccc(-n2nc(C(N)=O)c(Oc3ccc(Cl)cc3)cc2=O)cc1",
   "targets": [
    "UNP:P9WGR1"
   ]
  },
  {
   "line": 2840,
   "comp_id": "4G8",
   "ikey_connectivity": "RQTWYFDJDQNTLD",
   "smiles": "O=C(O)CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)[nH]c1C(=O)O",
   "targets": [
    "UNP:Q13526"
   ]
  },
  {
   "line": 8130,
   "comp_id": "A1BRM",
   "ikey_connectivity": "VJNDTMIDSGNFJC",
   "smiles": "COc1cccnc1CC(=O)N1CCCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 24176,
   "comp_id": "UGT",
   "ikey_connectivity": "OOJUYDKIKUNGMC",
   "smiles": "NC(=Nc1cccc(COC2CCNC2)c1)c1cccs1",
   "targets": [
    "UNP:O34453"
   ]
  },
  {
   "line": 1293,
   "comp_id": "21L",
   "ikey_connectivity": "BLDDPMYSIQFXOT",
   "smiles": "COC(=O)CCc1cc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(O)=C(C(C)=O)C(=O)C23C)c2ccccc2c1",
   "targets": [
    "UNP:P37231",
    "UNP:Q9UBK2"
   ]
  },
  {
   "line": 15146,
   "comp_id": "GOB",
   "ikey_connectivity": "LOWPPNMRMWEKTJ",
   "smiles": "COc1cc(OC)c(S(=O)(=O)N(c2ccccc2)c2ccc(N)cc2)cc1NC(=O)CCC(=O)O",
   "targets": [
    "UNP:P0ACC7"
   ]
  },
  {
   "line": 12986,
   "comp_id": "DJL",
   "ikey_connectivity": "QGNCSBUPDDCXSH",
   "smiles": "CCC([NH3+])c1ccc(Cl)c(Oc2ccccc2)c1F",
   "targets": [
    "UNP:P26663"
   ]
  },
  {
   "line": 9588,
   "comp_id": "A1I5F",
   "ikey_connectivity": "BIKYEXUTFXMVAZ",
   "smiles": "CCC(=O)N1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1C",
   "targets": [
    "UNP:Q14191"
   ]
  },
  {
   "line": 24605,
   "comp_id": "V3V",
   "ikey_connectivity": "MNTJOCWGZZCRNY",
   "smiles": "CC1=C(C(=O)Nc2cc(C(=O)O)ccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccc(F)cc3o2)N1",
   "targets": [
    "UNP:P51570"
   ]
  },
  {
   "line": 16683,
   "comp_id": "J11",
   "ikey_connectivity": "PUOKPLCASUFBAN",
   "smiles": "Cc1cc(N)nc(CC2CNCC2NCCNCCc2cccc(F)c2)c1",
   "targets": [
    "UNP:P29473",
    "UNP:P29476"
   ]
  },
  {
   "line": 26057,
   "comp_id": "XBV",
   "ikey_connectivity": "DVMCMTVFXINJGW",
   "smiles": "O=C(Nc1ccc(Cl)cn1)C1CN(CC(F)F)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F",
   "targets": [
    "UNP:P00742"
   ]
  },
  {
   "line": 21126,
   "comp_id": "PTY",
   "ikey_connectivity": "NJGIRBISCGPRPF",
   "smiles": "CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN",
   "targets": [
    "UNP:A0A024FSS5",
    "UNP:A0A0H3LM39",
    "UNP:A0A0L7KL67",
    "UNP:A0A0U0YYE2",
    "UNP:A0A1C8XRK9",
    "UNP:A0A1C8XRM6",
    "UNP:A0A1C8XRM8",
    "UNP:A0A1C8XRP3",
    "UNP:A0A1C8XRP4",
    "UNP:A0A1G4KPQ9",
    "UNP:A0A1M2VMW7",
    "UNP:A0A1Q1N9U9",
    "UNP:A0A1U7R319",
    "UNP:A0A2K3D1M1",
    "UNP:A0A2K3D591",
    "UNP:A0A2K3DYZ8",
    "UNP:A0A2P6TC44",
    "UNP:A0A2P6THB2",
    "UNP:A0A2P6TKF8",
    "UNP:A0A2P6TMI2",
    "UNP:A0A2P6TMT4",
    "UNP:A0A2P6TMX4",
    "UNP:A0A2P6TPR7",
    "UNP:A0A2P6TPU7",
    "UNP:A0A2P6TPV8",
    "UNP:A0A2P6TQ14",
    "UNP:A0A2P6TS63",
    "UNP:A0A2P6TT36",
    "UNP:A0A2P6TZ50",
    "UNP:A0A2P6TZI8",
    "UNP:A0A2P6U0J1",
    "UNP:A0A2P6U4K1",
    "UNP:A0A2P6U4S6",
    "UNP:A0A653FLF0",
    "UNP:A0A6A5PVU8",
    "UNP:A0A6A5Q2Y5",
    "UNP:A0A6A5Q5E3",
    "UNP:A0A6I8WFT8",
    "UNP:A0A6I8WFT9",
    "UNP:A0A6I8WFU1",
    "UNP:A0A6I8WFU2",
    "UNP:A0A6S8PC30",
    "UNP:A0A7S0UMB8",
    "UNP:A0A7S0UW27",
    "UNP:A0A7S0VJV3",
    "UNP:A0A7S0Y945",
    "UNP:A0A7S0YCV2",
    "UNP:A0A7S0YCV7",
    "UNP:A0A7S0YK00",
    "UNP:A0A7S0YPK2",
    "UNP:A0A7S3R4R1",
    "UNP:A0A7S3R9S7",
    "UNP:A0A7S3VHS4",
    "UNP:A0A7S3VNZ8",
    "UNP:A0A7S3VQN8",
    "UNP:A0A7S3VSS7",
    "UNP:A0A7Z6QU05",
    "UNP:A0A7Z6QV32",
    "UNP:A0A7Z6QV46",
    "UNP:A0A7Z6QV72",
    "UNP:A0A7Z6QV86",
    "UNP:A0A7Z6QV87",
    "UNP:A0A7Z6W8S0",
    "UNP:A0A8I5ZWI2",
    "UNP:A0A8M0FGN7",
    "UNP:A0A9J4RF13",
    "UNP:A0A9J4RF14",
    "UNP:A0A9J4RF15",
    "UNP:A0A9J4RF16",
    "UNP:A0A9J4RF17",
    "UNP:A0AAA9T569",
    "UNP:A0ABD7HS64",
    "UNP:A0AC62AEK0",
    "UNP:A0AC62AEK1",
    "UNP:A0AC62AEK2",
    "UNP:A0AC62AEK3",
    "UNP:A0AC62AEK4",
    "UNP:A0AC62AEK5",
    "UNP:A0AC62AEK6",
    "UNP:A0AC62AEK7",
    "UNP:A0AC62AEK8",
    "UNP:A0AC62AEK9",
    "UNP:A0AC62AEL0",
    "UNP:A0AC62AEL1",
    "UNP:A0AC62AEL2",
    "UNP:A0AC62AEL3",
    "UNP:A0AC62AEL4",
    "UNP:A0AC62AEL5",
    "UNP:A0AC62AEL6",
    "UNP:A0AC62AEL7",
    "UNP:A0AC62AEL8",
    "UNP:A0AC62AEL9",
    "UNP:A0AC62AEM0",
    "UNP:A0AC62AEM1",
    "UNP:A0AC62AEM2",
    "UNP:A0AC62AEM3",
    "UNP:A0AC62AEM4",
    "UNP:A0AC62AEM5",
    "UNP:A0L5S6",
    "UNP:A1XKU7",
    "UNP:A4JR51",
    "UNP:A5FE81",
    "UNP:A5FJ21",
    "UNP:A5FJ90",
    "UNP:A5FK27",
    "UNP:A5FLQ8",
    "UNP:A5FNX9",
    "UNP:A8BDJ0",
    "UNP:A8HRZ4",
    "UNP:A8HX89",
    "UNP:A8ICJ1",
    "UNP:A8IHL3",
    "UNP:A8IKI9",
    "UNP:A8IN92",
    "UNP:A8IS53",
    "UNP:A8IU42",
    "UNP:A8IVG9",
    "UNP:A8IVJ7",
    "UNP:A8J4K5",
    "UNP:A8J5P7",
    "UNP:A8J6N0",
    "UNP:A8J7H8",
    "UNP:A8J7I9",
    "UNP:A8J815",
    "UNP:A8J843",
    "UNP:A8J8N9",
    "UNP:A8JA22",
    "UNP:A8JC51",
    "UNP:A8JCW1",
    "UNP:A8JEU7",
    "UNP:A8JFK6",
    "UNP:A8JHV4",
    "UNP:A8JHY4",
    "UNP:B0K022",
    "UNP:B1Z4S0",
    "UNP:B7GIG3",
    "UNP:B7GL82",
    "UNP:B7GL83",
    "UNP:B7GL84",
    "UNP:B7GL96",
    "UNP:B7GL97",
    "UNP:B7GL98",
    "UNP:C1DMA4",
    "UNP:C1DMA5",
    "UNP:C1DMA6",
    "UNP:C1DMA7",
    "UNP:C1DMA8",
    "UNP:C1K003",
    "UNP:C1K004",
    "UNP:D0FXV2",
    "UNP:D0FXW0",
    "UNP:D0FXW2",
    "UNP:D0FXW7",
    "UNP:D0FXW8",
    "UNP:D0FXX2",
    "UNP:D0FXX5",
    "UNP:D0FXY3",
    "UNP:D0FXZ0",
    "UNP:D0FXZ2",
    "UNP:D0FXZ3",
    "UNP:D0FY01",
    "UNP:D0FY02",
    "UNP:D0FY04",
    "UNP:D0FY05",
    "UNP:D0FY08",
    "UNP:D0FY13",
    "UNP:D0FY18",
    "UNP:D0FY19",
    "UNP:D3ZIM6",
    "UNP:D4A133",
    "UNP:E1C2J9",
    "UNP:E5Q323",
    "UNP:E9NPS7",
    "UNP:E9NPS8",
    "UNP:E9NPV2",
    "UNP:E9NPW6",
    "UNP:E9NPX1",
    "UNP:E9NPZ7",
    "UNP:F2QRE4",
    "UNP:F2QS38",
    "UNP:F2QT90",
    "UNP:F2QT92",
    "UNP:F2QVA2",
    "UNP:F2QVW8",
    "UNP:F2QZ97",
    "UNP:F2R0J6",
    "UNP:F2R0J7",
    "UNP:F2R0K8",
    "UNP:F4JWS8",
    "UNP:G1FG65",
    "UNP:G4WUW1",
    "UNP:G7JND3",
    "UNP:I0YP72",
    "UNP:I0YP76",
    "UNP:I0YPL4",
    "UNP:I0YQ13",
    "UNP:I0YQ44",
    "UNP:I0YQ45",
    "UNP:I0YQ46",
    "UNP:I0YST3",
    "UNP:I0YTK4",
    "UNP:I0YVS7",
    "UNP:I0YWK6",
    "UNP:I0Z284",
    "UNP:I0Z2Y0",
    "UNP:I0Z687",
    "UNP:I0Z7A6",
    "UNP:I0Z7A7",
    "UNP:I0Z7V3",
    "UNP:K7NRF9",
    "UNP:K7NU01",
    "UNP:K7NU68",
    "UNP:K7NVH8",
    "UNP:L7N662",
    "UNP:M1UU36",
    "UNP:M1VFJ4",
    "UNP:M1VKK5",
    "UNP:M2PH20",
    "UNP:O05000",
    "UNP:O06139",
    "UNP:O15342",
    "UNP:O22769",
    "UNP:O48528",
    "UNP:O54715",
    "UNP:O60894",
    "UNP:O60896",
    "UNP:O64725",
    "UNP:O75348",
    "UNP:O75787",
    "UNP:O80800",
    "UNP:O82238",
    "UNP:P00127",
    "UNP:P00128",
    "UNP:P00163",
    "UNP:P00401",
    "UNP:P00410",
    "UNP:P00420",
    "UNP:P00424",
    "UNP:P00427",
    "UNP:P04037",
    "UNP:P04039",
    "UNP:P04070",
    "UNP:P04191",
    "UNP:P07143",
    "UNP:P07255",
    "UNP:P07256",
    "UNP:P07257",
    "UNP:P07825",
    "UNP:P08067",
    "UNP:P08525",
    "UNP:P08681",
    "UNP:P08739",
    "UNP:P08740",
    "UNP:P08754",
    "UNP:P0A2G0",
    "UNP:P0AAK1",
    "UNP:P0AEB5",
    "UNP:P0C0S1",
    "UNP:P0C0Y7",
    "UNP:P0C0Y8",
    "UNP:P0C0Y9",
    "UNP:P0C7B7",
    "UNP:P10174",
    "UNP:P10329",
    "UNP:P10997",
    "UNP:P11658",
    "UNP:P12969",
    "UNP:P13402",
    "UNP:P14867",
    "UNP:P16429",
    "UNP:P16430",
    "UNP:P16431",
    "UNP:P16432",
    "UNP:P16433",
    "UNP:P17302",
    "UNP:P18507",
    "UNP:P20113",
    "UNP:P21281",
    "UNP:P21283",
    "UNP:P21359",
    "UNP:P22289",
    "UNP:P23662",
    "UNP:P23930",
    "UNP:P23975",
    "UNP:P23978",
    "UNP:P25286",
    "UNP:P27449",
    "UNP:P29033",
    "UNP:P29388",
    "UNP:P30988",
    "UNP:P31224",
    "UNP:P31340",
    "UNP:P32799",
    "UNP:P32897",
    "UNP:P33324",
    "UNP:P33767",
    "UNP:P34750",
    "UNP:P36543",
    "UNP:P37299",
    "UNP:P37637",
    "UNP:P38606",
    "UNP:P39007",
    "UNP:P39109",
    "UNP:P39515",
    "UNP:P41543",
    "UNP:P42792",
    "UNP:P44543",
    "UNP:P46964",
    "UNP:P47870",
    "UNP:P48439",
    "UNP:P49768",
    "UNP:P49913",
    "UNP:P50408",
    "UNP:P53665",
    "UNP:P59768",
    "UNP:P60497",
    "UNP:P61421",
    "UNP:P62815",
    "UNP:P62873",
    "UNP:P63081",
    "UNP:P63092",
    "UNP:P70673",
    "UNP:P92533",
    "UNP:P92558",
    "UNP:P93306",
    "UNP:P93313",
    "UNP:P9WJY5",
    "UNP:Q01519",
    "UNP:Q01852",
    "UNP:Q02795",
    "UNP:Q04614",
    "UNP:Q05940",
    "UNP:Q09427",
    "UNP:Q0D9S3",
    "UNP:Q0SFL8",
    "UNP:Q0WWE3",
    "UNP:Q12001",
    "UNP:Q12200",
    "UNP:Q13336",
    "UNP:Q15904",
    "UNP:Q16864",
    "UNP:Q2FD70",
    "UNP:Q2TLM8",
    "UNP:Q2V2P9",
    "UNP:Q312S1",
    "UNP:Q38998",
    "UNP:Q3J1A3",
    "UNP:Q3J1A4",
    "UNP:Q42290",
    "UNP:Q42577",
    "UNP:Q42599",
    "UNP:Q56D18",
    "UNP:Q5EB76",
    "UNP:Q5F725",
    "UNP:Q5FVI6",
    "UNP:Q5M7T6",
    "UNP:Q5ZWW6",
    "UNP:Q61743",
    "UNP:Q63563",
    "UNP:Q63664",
    "UNP:Q6AXS4",
    "UNP:Q6C0H4",
    "UNP:Q6C2E3",
    "UNP:Q6C387",
    "UNP:Q6C3K7",
    "UNP:Q6CC60",
    "UNP:Q6CG23",
    "UNP:Q6CGP7",
    "UNP:Q6CGY9",
    "UNP:Q6CI02",
    "UNP:Q6LPW0",
    "UNP:Q6LPW1",
    "UNP:Q6P503",
    "UNP:Q6P5S7",
    "UNP:Q6PCU2",
    "UNP:Q6QAY0",
    "UNP:Q6QAY1",
    "UNP:Q6QAY2",
    "UNP:Q6QAY4",
    "UNP:Q6QAY5",
    "UNP:Q6QIV4",
    "UNP:Q6QIV8",
    "UNP:Q6QIV9",
    "UNP:Q6S7R7",
    "UNP:Q6TH88",
    "UNP:Q6UKY3",
    "UNP:Q6UKY4",
    "UNP:Q6UKY7",
    "UNP:Q6UKY8",
    "UNP:Q6UKY9",
    "UNP:Q6UP28",
    "UNP:Q6UP29",
    "UNP:Q6UP30",
    "UNP:Q6UP31",
    "UNP:Q6UP32",
    "UNP:Q6V502",
    "UNP:Q6V504",
    "UNP:Q6V505",
    "UNP:Q6V506",
    "UNP:Q6V9A8",
    "UNP:Q6V9A9",
    "UNP:Q6V9B0",
    "UNP:Q6V9B1",
    "UNP:Q6V9B3",
    "UNP:Q7VHG9",
    "UNP:Q84K56",
    "UNP:Q84W12",
    "UNP:Q85FP8",
    "UNP:Q85FQ6",
    "UNP:Q85FS8",
    "UNP:Q85FS9",
    "UNP:Q85FY0",
    "UNP:Q85FY6",
    "UNP:Q85FY7",
    "UNP:Q85FZ1",
    "UNP:Q85G47",
    "UNP:Q85G51",
    "UNP:Q85G73",
    "UNP:Q8GDI9",
    "UNP:Q8HEB4",
    "UNP:Q8IEU1",
    "UNP:Q8LDK3",
    "UNP:Q8LGE7",
    "UNP:Q8LK22",
    "UNP:Q8LYV7",
    "UNP:Q8LYV9",
    "UNP:Q8LYW0",
    "UNP:Q8LYW1",
    "UNP:Q8R2H0",
    "UNP:Q8RDN8",
    "UNP:Q8RWA7",
    "UNP:Q8VZ65",
    "UNP:Q8VZT9",
    "UNP:Q92316",
    "UNP:Q92542",
    "UNP:Q93050",
    "UNP:Q93XI5",
    "UNP:Q945M1",
    "UNP:Q94AL6",
    "UNP:Q94C12",
    "UNP:Q94JS0",
    "UNP:Q94K78",
    "UNP:Q95748",
    "UNP:Q96BI3",
    "UNP:Q96KN9",
    "UNP:Q96QZ0",
    "UNP:Q96RD7",
    "UNP:Q99380",
    "UNP:Q99437",
    "UNP:Q9AU02",
    "UNP:Q9AU05",
    "UNP:Q9B6D0",
    "UNP:Q9C6B3",
    "UNP:Q9C9Z5",
    "UNP:Q9F5Y0",
    "UNP:Q9F5Y1",
    "UNP:Q9FGI6",
    "UNP:Q9FGK0",
    "UNP:Q9FIJ2",
    "UNP:Q9FJW4",
    "UNP:Q9FKS5",
    "UNP:Q9FLX7",
    "UNP:Q9FNN5",
    "UNP:Q9FQ96",
    "UNP:Q9FV97",
    "UNP:Q9FWR5",
    "UNP:Q9FYF8",
    "UNP:Q9HZE5",
    "UNP:Q9HZE6",
    "UNP:Q9I537",
    "UNP:Q9I6D5",
    "UNP:Q9K0A9",
    "UNP:Q9LHI0",
    "UNP:Q9LXJ2",
    "UNP:Q9LZI6",
    "UNP:Q9M9M6",
    "UNP:Q9M9M9",
    "UNP:Q9NZ42",
    "UNP:Q9SD78",
    "UNP:Q9SG91",
    "UNP:Q9SIQ8",
    "UNP:Q9SK66",
    "UNP:Q9SKC9",
    "UNP:Q9SLC8",
    "UNP:Q9SMN1",
    "UNP:Q9SRR8",
    "UNP:Q9UI12",
    "UNP:Q9UL62",
    "UNP:Q9UNN8",
    "UNP:Q9VVT2",
    "UNP:Q9Y5K8",
    "UNP:Q9ZPY5",
    "UNP:Q9ZU25",
    "UNP:Q9ZUX4",
    "UNP:R9TES9",
    "UNP:U5U6L7",
    "UNP:W8SIP9",
    "UNP:W8SKM2",
    "UNP:W8SU98",
    "UNP:W8SUA3",
    "UNP:W8SUD1",
    "UNP:W8SY74"
   ]
  },
  {
   "line": 3314,
   "comp_id": "56Z",
   "ikey_connectivity": "MAZWTJAWJKKDKQ",
   "smiles": "COc1ccc(C(=O)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)cc1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 24649,
   "comp_id": "V6A",
   "ikey_connectivity": "SRMSVLNNUIPUGA",
   "smiles": "O=C(CCn1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1",
   "targets": [
    "UNP:O14980",
    "UNP:P30822",
    "UNP:P32835",
    "UNP:P41920",
    "UNP:P62826",
    "UNP:Q15369",
    "UNP:Q15370",
    "UNP:Q9H765"
   ]
  },
  {
   "line": 1209,
   "comp_id": "1WL",
   "ikey_connectivity": "AEXNUUIGAXOZGM",
   "smiles": "Nc1ccc(C#CC#Cc2ccc(C(=O)NC(Cc3cnc[nH]3)C(=O)NO)cc2)cc1",
   "targets": [
    "UNP:P47205"
   ]
  },
  {
   "line": 17390,
   "comp_id": "JZI",
   "ikey_connectivity": "OOTIJYFZZMIZHN",
   "smiles": "O=C(NC(CC=Cc1ccccc1)C(=O)O)c1ccc2ccccc2c1",
   "targets": [
    "UNP:Q13526"
   ]
  },
  {
   "line": 8828,
   "comp_id": "A1D6Z",
   "ikey_connectivity": "OBMZZZLLLARKHX",
   "smiles": "CCS(=O)(=O)N1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(C3CCN(C(=O)CC(=O)OC)CC3)c2F)CC1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 25308,
   "comp_id": "W8Y",
   "ikey_connectivity": "BMYNNJVPFOZAKG",
   "smiles": "Cn1nc(-c2ccccc2)cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1",
   "targets": [
    "UNP:J9VVA4"
   ]
  },
  {
   "line": 20084,
   "comp_id": "O7C",
   "ikey_connectivity": "BLDJZCZVJMSDIC",
   "smiles": "Cc1c(C(=O)C2=C(O)CCCC2=O)ccc2c1n(Cc1ccccc1)c(=O)n2C",
   "targets": [
    "UNP:P93836"
   ]
  },
  {
   "line": 12427,
   "comp_id": "CM5",
   "ikey_connectivity": "RVTGFZGNOSKUDA",
   "smiles": "OCC1OC(OC2C(CO)OC(OCCCCCC3CCCCC3)C(O)C2O)C(O)C(O)C1O",
   "targets": [
    "UNP:B4EY22",
    "UNP:P00044",
    "UNP:P00178",
    "UNP:P20813"
   ]
  },
  {
   "line": 16723,
   "comp_id": "J2N",
   "ikey_connectivity": "IZWNURHHAQZXMJ",
   "smiles": "N=C(N)c1ccc(NC(=O)C2CCCNC2=O)cc1",
   "targets": [
    "UNP:Q92876"
   ]
  },
  {
   "line": 21368,
   "comp_id": "Q7B",
   "ikey_connectivity": "AKNVQFLVLPRHIR",
   "smiles": "Cc1ccc(CC2(C(=O)O)CC2c2ccccc2)cc1",
   "targets": [
    "UNP:P0A1E3"
   ]
  },
  {
   "line": 3594,
   "comp_id": "5JN",
   "ikey_connectivity": "TVDZEGBJVSYGIU",
   "smiles": "Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)OCCO[N+](=O)[O-])cc2)c1",
   "targets": [
    "UNP:P68871",
    "UNP:P69905"
   ]
  },
  {
   "line": 2205,
   "comp_id": "3HK",
   "ikey_connectivity": "VSCASMLRSQQEQP",
   "smiles": "COc1cc2c(cc1OCCCN1CCOCC1)Cc1c(-c3ccc(C#N)cc3)n[nH]c1-2",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 27070,
   "comp_id": "YMD",
   "ikey_connectivity": "LGCFVMZACNBZBJ",
   "smiles": "CC(C)CC(NC(=O)OC1CCC(C)(C)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 20573,
   "comp_id": "OX1",
   "ikey_connectivity": "IOWYALZFEJOVHO",
   "smiles": "CC12OOC(CCC(=O)O)(c3ccccc31)c1ccccc12",
   "targets": [
    "UNP:Q65ZC0",
    "UNP:Q91Z05"
   ]
  },
  {
   "line": 25912,
   "comp_id": "X4B",
   "ikey_connectivity": "JDBYILINKOTBAJ",
   "smiles": "NC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1cccnc1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 2212,
   "comp_id": "3HZ",
   "ikey_connectivity": "BZWATIDSWCBFFH",
   "smiles": "CC(=O)N(Cc1ccc(-c2ccc(C(=O)O)o2)cc1)Cc1ccc(-c2cc(C(=O)O)nn2-c2ccc(Cl)c(Cl)c2)cc1",
   "targets": [
    "UNP:P27694"
   ]
  },
  {
   "line": 24555,
   "comp_id": "V14",
   "ikey_connectivity": "HFJJAVOBUVMVFQ",
   "smiles": "NS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)CCO)c(NC2CCCCCCC2)c1F",
   "targets": [
    "UNP:P00915",
    "UNP:P00918",
    "UNP:Q16790",
    "UNP:Q8N1Q1"
   ]
  },
  {
   "line": 16786,
   "comp_id": "J5U",
   "ikey_connectivity": "YNFSLZUCOOMOSV",
   "smiles": "CCCN(c1nc(-c2nc(N)cc(N)n2)cs1)c1cc(-c2ccc(CCN3CCN(C)CC3)nc2)ccc1C",
   "targets": [
    "UNP:P27707"
   ]
  },
  {
   "line": 14993,
   "comp_id": "GGH",
   "ikey_connectivity": "QEUKZZGYDFTBEI",
   "smiles": "Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)OP(=O)(O)CP(=O)(O)O)O2)c(=O)[nH]1",
   "targets": [
    "UNP:P06746"
   ]
  },
  {
   "line": 23385,
   "comp_id": "T61",
   "ikey_connectivity": "BBBOKCZDRCMPOZ",
   "smiles": "O=C(NO)c1ccc(Cl)c(NC(=O)c2ccccc2)c1",
   "targets": [
    "UNP:A5H660"
   ]
  },
  {
   "line": 14639,
   "comp_id": "FZE",
   "ikey_connectivity": "XSDXNVMLXLEGSP",
   "smiles": "Cc1cncc(-c2cnc(NC3CC4CCC(N4)C3CCC3CCC(F)(F)CC3)c3[nH]c(=O)c(C)cc23)c1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 14793,
   "comp_id": "G6S",
   "ikey_connectivity": "OKUVUONOJCDUJY",
   "smiles": "O=S(=O)(O)OCC1OC(O)C(O)C(O)C1O",
   "targets": [
    "UNP:A0A1I0C1I6",
    "UNP:A0A2K4XG31",
    "UNP:A0A2K4XG55",
    "UNP:B2ULS2",
    "UNP:Q8A346"
   ]
  },
  {
   "line": 26407,
   "comp_id": "XTJ",
   "ikey_connectivity": "ZGWMPLGBRIXUDR",
   "smiles": "O=C(NC(CC1CC1)C(=O)NC(CO)CC1CCNC1=O)OCc1cccc(F)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 4259,
   "comp_id": "6GS",
   "ikey_connectivity": "VPPLCOBQDZAMRD",
   "smiles": "CC1(F)C(O)C(COP(=O)(O)OP(=O)(O)O)OC1n1ccc(=O)[nH]c1=O",
   "targets": [
    "UNP:P0DTC1",
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 3102,
   "comp_id": "4VL",
   "ikey_connectivity": "OFHIABIZEVXVEE",
   "smiles": "O=C(O)C1CCN(c2ccc(-c3cc(CO)ccc3F)cn2)CC1",
   "targets": [
    "UNP:P0A6R0"
   ]
  },
  {
   "line": 3230,
   "comp_id": "52P",
   "ikey_connectivity": "VEPKQEUBKLEPRA",
   "smiles": "O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl",
   "targets": [
    "UNP:Q16539"
   ]
  },
  {
   "line": 2303,
   "comp_id": "3N6",
   "ikey_connectivity": "ITIXDWVDFFXNEG",
   "smiles": "NCCCCC(NC(=O)C(Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1",
   "targets": [
    "UNP:A0ACD6BAW2",
    "UNP:O60894",
    "UNP:Q16602"
   ]
  },
  {
   "line": 6457,
   "comp_id": "9GJ",
   "ikey_connectivity": "AWJSRXUQLSPAOI",
   "smiles": "COCC(NC(=O)N1CC(=O)Nc2cc(OC)cnc21)c1ccc(OC(F)(F)F)c(F)c1",
   "targets": [
    "UNP:O00408"
   ]
  },
  {
   "line": 21301,
   "comp_id": "Q3A",
   "ikey_connectivity": "BXNZBHMPQIUISX",
   "smiles": "Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(S(C)(=O)=O)c23)c(C)n1",
   "targets": [
    "UNP:O75530"
   ]
  },
  {
   "line": 7680,
   "comp_id": "A1B43",
   "ikey_connectivity": "RWVQDFULFQCOIU",
   "smiles": "Cn1cc(CC(=O)N2CC(C(N)=O)CC3CC32)cn1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 956,
   "comp_id": "1JR",
   "ikey_connectivity": "OHFQLOFZGKOEBH",
   "smiles": "O=C1NC(c2cccnc2)c2c1n[nH]c2-c1ccccc1",
   "targets": [
    "UNP:Q79791"
   ]
  },
  {
   "line": 3510,
   "comp_id": "5FI",
   "ikey_connectivity": "FBLPQCAQRNSVHB",
   "smiles": "CCc1cncnc1N1CCN(Cc2nc3cc(C(F)(F)F)ccc3[nH]2)CC1",
   "targets": [
    "UNP:P23443"
   ]
  },
  {
   "line": 26722,
   "comp_id": "Y81",
   "ikey_connectivity": "JAGBWIHWQBQGAX",
   "smiles": "O=C1CN(C(=O)c2cncc(-c3ccccc3)c2)c2ccccc2N1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 9565,
   "comp_id": "A1I41",
   "ikey_connectivity": "SQLMHOPYTBPHSH",
   "smiles": "CSc1cc(F)ccc1-c1ccc(C(=O)NCC2CCCCC2)c(S(C)(=O)=O)c1",
   "targets": [
    "UNP:P19474"
   ]
  },
  {
   "line": 12793,
   "comp_id": "D6W",
   "ikey_connectivity": "QDMKAQVMVBLGFR",
   "smiles": "CNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc4n[nH]cc4c3)CC2)C1=O",
   "targets": [
    "UNP:Q08345"
   ]
  },
  {
   "line": 813,
   "comp_id": "1CL",
   "ikey_connectivity": "FFXSIQURXQXOLP",
   "smiles": "[Fe]1[SH-2]2[Fe][SH-2]3[Fe]2[SH-2]1[Fe]3[S-2]12[Fe]3[SH-2]4[Fe]5[SH-2]3[Fe]1[SH-2]5[Fe]42",
   "targets": [
    "UNP:D5VU97",
    "UNP:D5VU98",
    "UNP:P00459",
    "UNP:P00467",
    "UNP:P07328",
    "UNP:P07329",
    "UNP:P11347",
    "UNP:Q44501"
   ]
  },
  {
   "line": 27087,
   "comp_id": "YMX",
   "ikey_connectivity": "HAYYBYPASCDWEQ",
   "smiles": "CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1",
   "targets": [
    "UNP:P04629",
    "UNP:Q9UM73"
   ]
  },
  {
   "line": 9386,
   "comp_id": "A1H3E",
   "ikey_connectivity": "HVLWKBDZYHPIQO",
   "smiles": "Nc1ncnc2c1ncn2C1OC(CSCc2cc(C=CCO)cc(C(=O)O)c2)C(O)C1O",
   "targets": [
    "UNP:P0DTC1",
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 24960,
   "comp_id": "VM2",
   "ikey_connectivity": "PETSRUBXPDOLKZ",
   "smiles": "OCC1C(O)C(O)C(O)C1NCC1CCCCC1",
   "targets": [
    "UNP:Q9SPP9"
   ]
  },
  {
   "line": 17824,
   "comp_id": "KLM",
   "ikey_connectivity": "FIEBLYFIDPTHGZ",
   "smiles": "CN(C)CC(O)COc1ccc(Nc2ncc3[nH]c(=O)c(=O)n(-c4ccc5c(c4)CCC5)c3n2)cc1",
   "targets": [
    "UNP:Q06187"
   ]
  },
  {
   "line": 3344,
   "comp_id": "588",
   "ikey_connectivity": "FSRCMOQVSVRBJH",
   "smiles": "CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(C=CC(N)=O)c1)NS(C)(=O)=O",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 21717,
   "comp_id": "QO3",
   "ikey_connectivity": "NMUBYVYZKDCGHF",
   "smiles": "O=C(NC1c2cccc(O)c2CC1C(=O)O)c1ccc(NCC2CC2)nc1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 17113,
   "comp_id": "JM4",
   "ikey_connectivity": "YRGYNHWJLFBYTL",
   "smiles": "CC(C)SCCC(=N)NCCCC(N)C(=O)O",
   "targets": [
    "UNP:P29476"
   ]
  },
  {
   "line": 22010,
   "comp_id": "R2E",
   "ikey_connectivity": "VKPLRGNVMHDBDF",
   "smiles": "CCC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 14196,
   "comp_id": "FBD",
   "ikey_connectivity": "IDTMSHGCAZPVLC",
   "smiles": "O=C(O)CCC(NC(=O)NC(CSCc1ccc(F)cc1)C(=O)O)C(=O)O",
   "targets": [
    "UNP:Q04609"
   ]
  },
  {
   "line": 24943,
   "comp_id": "VL4",
   "ikey_connectivity": "LOEPUEZHCDNOEG",
   "smiles": "CN(Cc1ccccc1C(=O)NCC1CCC1)Cc1ccc2c(c1C(=O)O)OCC(CCC(=O)O)O2",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 25248,
   "comp_id": "W5Y",
   "ikey_connectivity": "QGOJGCAOMCBQFJ",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COS(=O)(=O)NC(=O)C(N)Cc2ccccc2)C(O)C1O",
   "targets": [
    "UNP:P9WFU1",
    "UNP:P9WFU3"
   ]
  },
  {
   "line": 27093,
   "comp_id": "YN4",
   "ikey_connectivity": "BOXNSEIJTUHQDY",
   "smiles": "CCOC(=O)c1cnc2ccc(OCc3ccc(N4CCNCC4)nc3)cc2c1SCCC#N",
   "targets": [
    "UNP:Q4Q5S8"
   ]
  },
  {
   "line": 12953,
   "comp_id": "DGI",
   "ikey_connectivity": "CIKGWCTVFSRMJU",
   "smiles": "Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1",
   "targets": [
    "UNP:A0A1J9WBB5",
    "UNP:A0A7U3TBV3",
    "UNP:P06746",
    "UNP:P43075",
    "UNP:P50620",
    "UNP:P50621",
    "UNP:P9WPZ1",
    "UNP:Q5UQL3",
    "UNP:Q9KD90"
   ]
  },
  {
   "line": 11548,
   "comp_id": "B6O",
   "ikey_connectivity": "DIQAKQHNMJSKDT",
   "smiles": "CN(C)c1cccc(-c2c(F)cc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2F)c1",
   "targets": [
    "UNP:Q02127"
   ]
  },
  {
   "line": 3206,
   "comp_id": "51J",
   "ikey_connectivity": "GHPHHBCAYUNOIJ",
   "smiles": "CC#CCNS(=O)(=O)c1cc(S(N)(=O)=O)ccc1C(=O)O",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 4700,
   "comp_id": "73F",
   "ikey_connectivity": "XICVNIWRISOITG",
   "smiles": "O=C1C(=O)N(CCc2ccccc2)c2ccccc21",
   "targets": [
    "UNP:Q99497"
   ]
  },
  {
   "line": 16556,
   "comp_id": "IW1",
   "ikey_connectivity": "RLPYELPZSFVXBH",
   "smiles": "Oc1c(Br)cc(C=Cc2c(Cl)cccc2Cl)cc1Br",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 25324,
   "comp_id": "W9Q",
   "ikey_connectivity": "DIXBEPXHIWBAHY",
   "smiles": "CC1C2CC(C1C(=O)O)C1C(c3ccc(Cl)cc3)=NOC21",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 21234,
   "comp_id": "Q0N",
   "ikey_connectivity": "DSZOJRUPLFLUKW",
   "smiles": "N#Cc1c(N)ncnc1-c1cnn(CCN2CCOCC2)c1",
   "targets": [
    "UNP:B1MHW4"
   ]
  },
  {
   "line": 19198,
   "comp_id": "MTH",
   "ikey_connectivity": "WBPLMFVTQMIPLW",
   "smiles": "CSCC1OC(n2ccc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:P0AF12",
    "UNP:Q13126",
    "UNP:Q9T0I8"
   ]
  },
  {
   "line": 9611,
   "comp_id": "A1I71",
   "ikey_connectivity": "RDCJNIDZEAFECE",
   "smiles": "Cn1cc(-c2cccc3cnc(Nc4ncccc4[N+](=O)[O-])cc23)cn1",
   "targets": [
    "UNP:Q93009"
   ]
  },
  {
   "line": 6656,
   "comp_id": "9PC",
   "ikey_connectivity": "INYJNSBDHOVLAH",
   "smiles": "NC(=O)c1c(F)ccc(OCc2nc3cc(Cl)cnc3s2)c1F",
   "targets": [
    "UNP:P0A031"
   ]
  },
  {
   "line": 1993,
   "comp_id": "34P",
   "ikey_connectivity": "MIEXIWNUQBMNML",
   "smiles": "N=C(N)c1csc(CNC(=O)C2CCCN2C(=O)C(CC2CCCCC2)NCC(=O)O)n1",
   "targets": [
    "UNP:P00734"
   ]
  },
  {
   "line": 19070,
   "comp_id": "MJI",
   "ikey_connectivity": "XPTFBVFCGHXMRK",
   "smiles": "CCCCCCCCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)(O)OC",
   "targets": [
    "UNP:P00592"
   ]
  },
  {
   "line": 25359,
   "comp_id": "WBI",
   "ikey_connectivity": "ABBVAIMDGQMDHS",
   "smiles": "O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1",
   "targets": [
    "UNP:P33981"
   ]
  },
  {
   "line": 17602,
   "comp_id": "K9X",
   "ikey_connectivity": "WSHVMTZVYFWBGT",
   "smiles": "Cc1nn(C)c(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)c1Br",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 1475,
   "comp_id": "2BA",
   "ikey_connectivity": "PDXMFTWFFKBFIN",
   "smiles": "Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(COP(=O)(O)OC2C1O)OC(n1cnc2c(N)ncnc21)C3O",
   "targets": [
    "UNP:A0A076YWK5",
    "UNP:A0A089XIW4",
    "UNP:A0A0H2WXZ7",
    "UNP:A0A0V8ETW8",
    "UNP:A0A1C8HPQ3",
    "UNP:B8XX90",
    "UNP:K0JNC6",
    "UNP:O07535",
    "UNP:O31698",
    "UNP:P37538",
    "UNP:P41440",
    "UNP:P73954",
    "UNP:P96589",
    "UNP:Q2FWH7",
    "UNP:Q2FZQ4",
    "UNP:Q2G229",
    "UNP:Q3TBT3",
    "UNP:Q86WV6",
    "UNP:Q8VC28",
    "UNP:Q8Y3Y7",
    "UNP:Q8Y746",
    "UNP:Q8Y8A3",
    "UNP:Q9CHQ7",
    "UNP:Q9KIF7",
    "UNP:Q9WY43"
   ]
  },
  {
   "line": 19012,
   "comp_id": "MF0",
   "ikey_connectivity": "SEFKQYGCOOMXHK",
   "smiles": "Cc1ccncc1NC(=O)C(C)c1cncc(Cl)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 18896,
   "comp_id": "M7P",
   "ikey_connectivity": "SDADNVAZGVDAIM",
   "smiles": "O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O",
   "targets": [
    "UNP:Q93UJ2",
    "UNP:Q9HVZ0"
   ]
  },
  {
   "line": 27114,
   "comp_id": "YNS",
   "ikey_connectivity": "KEWZHLXKQSXXAR",
   "smiles": "Cc1cc(C)cc(Nc2cccc(-c3c(C)nnn3C3CCN(C(=N)N)CC3)n2)c1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 13026,
   "comp_id": "DLL",
   "ikey_connectivity": "VUKDZGAUWUDQRZ",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC(=O)Cc2ccccc2)C(O)C1O",
   "targets": [
    "UNP:B4E7B5",
    "UNP:B4EL89"
   ]
  },
  {
   "line": 650,
   "comp_id": "13W",
   "ikey_connectivity": "MLNWGLXMDFUREO",
   "smiles": "CN1C(=N)NC(C)(c2cc(-c3cccc(C#N)c3)cs2)CC1=O",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 20403,
   "comp_id": "OP0",
   "ikey_connectivity": "YTAWXXHGLPATIN",
   "smiles": "NCCONC(=O)C1CCC(NOS(=O)(=O)O)CN1C=O",
   "targets": [
    "UNP:A0A0B6VPP7",
    "UNP:A0A0F6P2I5",
    "UNP:A0A6G4MVF1",
    "UNP:F6KZJ2",
    "UNP:P00811",
    "UNP:P24735",
    "UNP:P52682",
    "UNP:Q47066",
    "UNP:Q6XEC0"
   ]
  },
  {
   "line": 19382,
   "comp_id": "N32",
   "ikey_connectivity": "DWUHGPPFFABTIY",
   "smiles": "C=C1CC23C=CC(=O)C(C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)C2CC1CC3",
   "targets": [
    "UNP:A4JL30",
    "UNP:G3XDA2",
    "UNP:P0AAI5",
    "UNP:Q2YQQ9"
   ]
  },
  {
   "line": 21536,
   "comp_id": "QFY",
   "ikey_connectivity": "",
   "smiles": "O=C(CCCCC1SCC2NC(=O)NC21)NCC[N]12Cc3cccc[n]3->[Fe]<-1<-[n]1ccccc1C2",
   "targets": [
    "UNP:P22629"
   ]
  },
  {
   "line": 5641,
   "comp_id": "8C0",
   "ikey_connectivity": "AJZMBYIVQYCFHK",
   "smiles": "C=C1C(O)CC(=CC=C2CCCC3(C)C2CCC3C(C)C(CCCC)CCC(OC)c2ccc(O)cc2)CC1O",
   "targets": [
    "UNP:P13053",
    "UNP:Q15648"
   ]
  },
  {
   "line": 12994,
   "comp_id": "DJX",
   "ikey_connectivity": "MBWHJBDHRADERX",
   "smiles": "CCN1CCN(c2cc(Nc3ncc(-c4ccncc4)s3)nc(C)n2)CC1",
   "targets": [
    "UNP:P10721"
   ]
  },
  {
   "line": 9883,
   "comp_id": "A1IMZ",
   "ikey_connectivity": "IRNJSRAGRIZIHD",
   "smiles": "CCc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1",
   "targets": [
    "UNP:O95563",
    "UNP:P0AEY0",
    "UNP:P0DKB6"
   ]
  },
  {
   "line": 25189,
   "comp_id": "W1F",
   "ikey_connectivity": "SLGDHJMSLPDYEO",
   "smiles": "COc1cc(N)ccc1C(=O)NC1CCC(=O)NC1=O",
   "targets": [
    "UNP:A4TVL0"
   ]
  },
  {
   "line": 16308,
   "comp_id": "IIX",
   "ikey_connectivity": "QDVCDECQBDYFIR",
   "smiles": "Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(-c2ccccn2)[nH]n1",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 17908,
   "comp_id": "KQL",
   "ikey_connectivity": "XYFCSWHALYQBPC",
   "smiles": "Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 20613,
   "comp_id": "OZH",
   "ikey_connectivity": "YJSHTZYDPJRJOL",
   "smiles": "CC(C)CC(NC(=O)CNP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O",
   "targets": [
    "UNP:P43133"
   ]
  },
  {
   "line": 9157,
   "comp_id": "A1EM5",
   "ikey_connectivity": "AFTZZRFCMOAFCR",
   "smiles": "CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc21",
   "targets": [
    "UNP:P78508",
    "UNP:Q9NPI9"
   ]
  },
  {
   "line": 15132,
   "comp_id": "GNM",
   "ikey_connectivity": "NKUGXZLINWIUOR",
   "smiles": "O=C(O)c1c[nH]c2c(Br)cccc2c1=O",
   "targets": [
    "UNP:Q9NUW8"
   ]
  },
  {
   "line": 13439,
   "comp_id": "E7B",
   "ikey_connectivity": "FLYBGKSOQRCWMB",
   "smiles": "COC(C(O)CC(=O)C(C)C(O)CCC(C)C1OC2(CCC(C)C(CCC(C)C(C)=O)O2)CCC1C)C(OC(=O)CC(O)C(C(=O)O)=C(C)C(=O)O)C(C)C",
   "targets": [
    "UNP:P62136"
   ]
  },
  {
   "line": 19872,
   "comp_id": "NVX",
   "ikey_connectivity": "SWYGPPMJBPTZSH",
   "smiles": "O=C(c1cccc(Cl)c1)C1CNCC1c1ccc2c(=O)[nH]cnc2c1",
   "targets": [
    "UNP:P00517",
    "UNP:P17612",
    "UNP:P61925"
   ]
  },
  {
   "line": 22779,
   "comp_id": "S65",
   "ikey_connectivity": "ZXFXBSWRVIQKOD",
   "smiles": "ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl",
   "targets": [
    "UNP:O75469"
   ]
  },
  {
   "line": 25626,
   "comp_id": "WPT",
   "ikey_connectivity": "DGENZVKCTGIDRZ",
   "smiles": "O=C(O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1",
   "targets": [
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63092",
    "UNP:P63096",
    "UNP:Q5NUL3"
   ]
  },
  {
   "line": 19241,
   "comp_id": "MVK",
   "ikey_connectivity": "OTSLYLLOBTYVLP",
   "smiles": "Cc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1ccc(C(=O)O)cc1",
   "targets": [
    "UNP:P00751"
   ]
  },
  {
   "line": 13291,
   "comp_id": "E0T",
   "ikey_connectivity": "BSMKDXIJGSTBNT",
   "smiles": "O=C(O)c1ccc(-c2cccc(Cl)c2Cl)o1",
   "targets": [
    "UNP:Q84HF5"
   ]
  },
  {
   "line": 27738,
   "comp_id": "ZWA",
   "ikey_connectivity": "DGNFHHFZLNEVEL",
   "smiles": "CN(C)C(=O)C(NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1cccc(N2CC(CC(F)(F)F)C2)c1",
   "targets": [
    "UNP:P26718"
   ]
  },
  {
   "line": 15880,
   "comp_id": "HVH",
   "ikey_connectivity": "KKISLZKMBSCLSS",
   "smiles": "CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc2C1",
   "targets": [
    "UNP:O75385",
    "UNP:Q8IYT8"
   ]
  },
  {
   "line": 22923,
   "comp_id": "SD9",
   "ikey_connectivity": "AQIXAKUUQRKLND",
   "smiles": "CNC(=NC#N)NCCSCc1nc[nH]c1C",
   "targets": [
    "UNP:P00760",
    "UNP:Q96FL8"
   ]
  },
  {
   "line": 5197,
   "comp_id": "7PW",
   "ikey_connectivity": "VZHXYQRJRDRVFA",
   "smiles": "O=C(NC(Cn1ccnc1)c1c(F)cc(-c2ccc(F)cc2)cc1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1",
   "targets": [
    "UNP:A0A2H4A2U9"
   ]
  },
  {
   "line": 23699,
   "comp_id": "TPV",
   "ikey_connectivity": "SUJUHGSWHZTSEU",
   "smiles": "CCCC1(CCc2ccccc2)CC(O)=C(C(CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1",
   "targets": [
    "UNP:P03367",
    "UNP:P04585",
    "UNP:Q000H7",
    "UNP:Q1G1C3",
    "UNP:Q90SN9",
    "UNP:Q9J006"
   ]
  },
  {
   "line": 14126,
   "comp_id": "F6Z",
   "ikey_connectivity": "NJYVEMPWNAYQQN",
   "smiles": "O=C(O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21",
   "targets": [
    "UNP:P05543"
   ]
  },
  {
   "line": 12687,
   "comp_id": "D1R",
   "ikey_connectivity": "VZSXPUDQSLKVIR",
   "smiles": "CN1CCN(C(=O)NC(Cc2ccccc2)C(=O)NC(CCc2ccccc2)CCS(=O)(=O)c2ccccc2)CC1",
   "targets": [
    "UNP:P07711",
    "UNP:P25779",
    "UNP:Q95PM0"
   ]
  },
  {
   "line": 8337,
   "comp_id": "A1C37",
   "ikey_connectivity": "XVFVVJNKMHNTDM",
   "smiles": "CC(c1ccc(C(F)(F)F)cc1F)N(C)C(=O)C(=O)Nc1cnc(N)c2cn[nH]c12",
   "targets": [
    "UNP:O14744",
    "UNP:Q9BQA1"
   ]
  },
  {
   "line": 24127,
   "comp_id": "UED",
   "ikey_connectivity": "JUCVXDDMQHPCKT",
   "smiles": "CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CO)CC1CCNC1=O",
   "targets": [
    "UNP:A1E4A3",
    "UNP:K9N7C7",
    "UNP:P07711",
    "UNP:P0C6X7",
    "UNP:P0DTC1",
    "UNP:P0DTD1",
    "UNP:Q98VG9"
   ]
  },
  {
   "line": 7551,
   "comp_id": "A1AYH",
   "ikey_connectivity": "ZLSVDRZOHUGDIR",
   "smiles": "O=C(NCCSCc1ccc(Cl)cc1)c1ccco1",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 17398,
   "comp_id": "JZS",
   "ikey_connectivity": "SDBGIXABAWIVLY",
   "smiles": "Cc1cc(NCC(O)(C(F)(F)F)C(F)(F)F)c2cnn(-c3cccc(C(=O)NC(C)C(N)=O)c3)c2c1",
   "targets": [
    "UNP:P04150",
    "UNP:Q15596"
   ]
  },
  {
   "line": 668,
   "comp_id": "15F",
   "ikey_connectivity": "TWCUCVXJAMETKX",
   "smiles": "N=C(OCc1cc[n+](Cc2ccccc2)cc1)C(Cl)(Cl)Cl",
   "targets": [
    "UNP:P06276"
   ]
  },
  {
   "line": 26810,
   "comp_id": "YBY",
   "ikey_connectivity": "GUNPTUQXZIVQBT",
   "smiles": "O=C(O)CCC(NC(=O)NC(Cc1ccc(O)c(I)c1)C(=O)O)C(=O)O",
   "targets": [
    "UNP:Q04609"
   ]
  },
  {
   "line": 13221,
   "comp_id": "DX7",
   "ikey_connectivity": "VQYNAWQVXOOXHS",
   "smiles": "N#Cc1c(-c2ccccc2)[nH]c2nc(N)[nH]c(=O)c12",
   "targets": [
    "UNP:Q581W1"
   ]
  },
  {
   "line": 25492,
   "comp_id": "WI5",
   "ikey_connectivity": "HQVHOQAKMCMIIM",
   "smiles": "Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1C(CN1CCOCC1)CO3",
   "targets": [
    "UNP:O80992",
    "UNP:P34972",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096",
    "UNP:Q9CAJ0"
   ]
  },
  {
   "line": 16808,
   "comp_id": "J6V",
   "ikey_connectivity": "NCXBXYIRLDJNEP",
   "smiles": "Cc1cc(NC(=O)Nc2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2O)ccc1F",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 24568,
   "comp_id": "V1S",
   "ikey_connectivity": "HQQQLMWKYHVCDC",
   "smiles": "CCC(O)(O)CCCCCC(NC(=O)C1CC12CCN(C)CC2)c1nc(-c2ccc(F)cc2)[nH]c1C#N",
   "targets": [
    "UNP:Q92769"
   ]
  },
  {
   "line": 19884,
   "comp_id": "NWQ",
   "ikey_connectivity": "PLYRYAHDNXANEG",
   "smiles": "CNC(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q86U44",
    "UNP:Q9HCE5"
   ]
  },
  {
   "line": 26038,
   "comp_id": "XAH",
   "ikey_connectivity": "UZJSLDPAROCUBS",
   "smiles": "NCCCCC(N)C(=O)NOP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q9RHV9"
   ]
  },
  {
   "line": 14469,
   "comp_id": "FQ4",
   "ikey_connectivity": "NIQHANOAJHWKET",
   "smiles": "COc1ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc2ccc(F)cc2)NC(=O)OC2CCOC3OCCC23)cc1",
   "targets": [
    "UNP:P03366"
   ]
  },
  {
   "line": 19936,
   "comp_id": "O0D",
   "ikey_connectivity": "SVGBNTOHFITEDI",
   "smiles": "CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)O",
   "targets": [
    "UNP:P83310"
   ]
  },
  {
   "line": 27156,
   "comp_id": "YPI",
   "ikey_connectivity": "SVMYVCAWPRQJHP",
   "smiles": "O=C(c1ccc2[nH]nnc2c1)N1CC2C(C1)C1CN(C(=O)c3cc4ccccc4c(OCC(F)(F)F)n3)CC21",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 24018,
   "comp_id": "U8K",
   "ikey_connectivity": "HOBWUTFQJLTDSS",
   "smiles": "O=C(O)c1ncccc1NS(=O)(=O)c1ccccc1",
   "targets": [
    "UNP:Q9K2N0"
   ]
  },
  {
   "line": 23374,
   "comp_id": "T5J",
   "ikey_connectivity": "YIACXICIQWGRMA",
   "smiles": "Cc1ccc(Nc2cc(C)c3c(O)cccc3n2)cc1F",
   "targets": [
    "UNP:P34913"
   ]
  },
  {
   "line": 14715,
   "comp_id": "G2W",
   "ikey_connectivity": "MFAKJGXMORSMIX",
   "smiles": "CNC(=O)c1cccc(Nc2nccc(N3CC(Oc4ccc(F)cc4C)C3)n2)c1",
   "targets": [
    "UNP:O60939",
    "UNP:Q07699",
    "UNP:Q15858"
   ]
  },
  {
   "line": 22300,
   "comp_id": "RGW",
   "ikey_connectivity": "BCOLLUBWOHQGAB",
   "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)NC(CC(=O)NCC13CC4CC(CC(C4)C1)C3)c1nnc(C)n1-2",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 27324,
   "comp_id": "YY3",
   "ikey_connectivity": "DUYJMQONPNNFPI",
   "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 18035,
   "comp_id": "KWE",
   "ikey_connectivity": "QPFLANLQMKUFTC",
   "smiles": "O=C1C(Cc2ccccc2)=C(NCCCCc2ccccc2)C(=O)N1Cc1ccccc1",
   "targets": [
    "UNP:P55055"
   ]
  },
  {
   "line": 26097,
   "comp_id": "XEB",
   "ikey_connectivity": "SVDORCPNIHFYFA",
   "smiles": "CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl",
   "targets": [
    "UNP:O34453",
    "UNP:P29473",
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 22800,
   "comp_id": "S72",
   "ikey_connectivity": "VLFIXXJBXZWQID",
   "smiles": "CNC(=O)CN(Cc1ccc(F)cc1)C(=O)CC1CCC(NC(=O)c2nnn(Cc3ccccc3)c2C)CC1",
   "targets": [
    "UNP:P9WGR1"
   ]
  },
  {
   "line": 4226,
   "comp_id": "6EU",
   "ikey_connectivity": "DSDNAKHZNJAGHN",
   "smiles": "C=C(C)C12CC(C)C34OC(Cc5ccccc5)(OC1C3C=C(COC(=O)Cc1ccc(O)c(OC)c1)CC1(O)C(=O)C(C)=CC14)O2",
   "targets": [
    "UNP:G1SNM3",
    "UNP:I3LZN5",
    "UNP:O35433",
    "UNP:P0CH43"
   ]
  },
  {
   "line": 25547,
   "comp_id": "WLB",
   "ikey_connectivity": "GYEYPHBTKAEWHH",
   "smiles": "O=C(O)c1cccc(OCc2ccccc2)c1OCc1ccccc1",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 16844,
   "comp_id": "J8Y",
   "ikey_connectivity": "IAVMZDPIQIVLOG",
   "smiles": "O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(C(F)(F)F)[nH]c1=O",
   "targets": [
    "UNP:P35222",
    "UNP:P63208",
    "UNP:Q9Y297"
   ]
  },
  {
   "line": 19551,
   "comp_id": "NCF",
   "ikey_connectivity": "LNPNJPUNJYVKHH",
   "smiles": "O=C(Cc1cccs1)NC(C(=O)O)C1N=C(C(=O)O)CCS1",
   "targets": [
    "UNP:P39045"
   ]
  },
  {
   "line": 27641,
   "comp_id": "ZPG",
   "ikey_connectivity": "XGDXHSHOQKNIEW",
   "smiles": "CC(O)COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O",
   "targets": [
    "UNP:O53665",
    "UNP:Q9WYW0"
   ]
  },
  {
   "line": 18712,
   "comp_id": "LX2",
   "ikey_connectivity": "RHWNXOWPCIQOAH",
   "smiles": "O=C(O)Cn1ccc2c(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cccc21",
   "targets": [
    "UNP:P19793",
    "UNP:Q9Z0Y9"
   ]
  },
  {
   "line": 10347,
   "comp_id": "A1JIM",
   "ikey_connectivity": "WBPLZYOEASNOOW",
   "smiles": "O=C(C(SC1OC(CO)C(O)C(n2cc(-c3cc(F)c(F)c(F)c3)nn2)C1O)C1(O)CCC(F)(F)CC1)N1CCC1",
   "targets": [
    "UNP:P17931"
   ]
  },
  {
   "line": 5649,
   "comp_id": "8CF",
   "ikey_connectivity": "TWSMBEWMAUAXGL",
   "smiles": "CCC(=O)Nc1onc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 19164,
   "comp_id": "MQT",
   "ikey_connectivity": "IYJMKTZAMJWCQH",
   "smiles": "COC1OC(CO)C(O)C(OC(=O)c2ccc(C)cc2)C1OC(C)=O",
   "targets": [
    "UNP:P09382",
    "UNP:P17931"
   ]
  },
  {
   "line": 3970,
   "comp_id": "62I",
   "ikey_connectivity": "BGGOUURSAFNPGN",
   "smiles": "CC(=O)OCC1OC(S(=O)(=O)N2CCC(OS(N)(=O)=O)CC2)C(O)C(O)C1O",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 9322,
   "comp_id": "A1EYL",
   "ikey_connectivity": "PEUUVVGQIVMSAW",
   "smiles": "COc1ccc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23)cc1OC",
   "targets": [
    "UNP:Q08499"
   ]
  },
  {
   "line": 19986,
   "comp_id": "O36",
   "ikey_connectivity": "ZSZZPZXYAPTIMN",
   "smiles": "C#CCn1c(=O)c2c(C)c(C(=O)C3=C(O)CCCC3=O)ccc2n(C)c1=O",
   "targets": [
    "UNP:P93836"
   ]
  },
  {
   "line": 12819,
   "comp_id": "D7Y",
   "ikey_connectivity": "QNDVTMOTJOSTAW",
   "smiles": "CC(C)NC(CSCCNC(=O)OC(C)(C)C)C(=O)NCc1cccnc1",
   "targets": [
    "UNP:P08684"
   ]
  },
  {
   "line": 26993,
   "comp_id": "YJS",
   "ikey_connectivity": "NDRFFOKFYGUOKD",
   "smiles": "CC1COCCN1c1cc(NC(=O)Cn2cc(-c3cc(Cl)c(O)c(C(N)=O)c3)c3c(=O)n(C)cnc32)c(Cl)cn1",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 18793,
   "comp_id": "M1R",
   "ikey_connectivity": "PCPBPWDPZNCVFV",
   "smiles": "CCC(=O)N1CCN(c2nc(OCC3CCCN3C)nc3c2CCN(c2cccc4ccccc24)C3)CC1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 23860,
   "comp_id": "U0G",
   "ikey_connectivity": "VWEDZTZAXHMZIL",
   "smiles": "COc1cc(CCNCc2ccccc2O)c(OC)cc1C#N",
   "targets": [
    "UNP:P0ABE7",
    "UNP:P28223",
    "UNP:P59768",
    "UNP:P62873"
   ]
  },
  {
   "line": 21760,
   "comp_id": "QQD",
   "ikey_connectivity": "HGCZGYHCBRKJNB",
   "smiles": "CC1(C)c2ccccc2N(Cc2ccc(C(=O)NO)cc2)C1c1cccnc1",
   "targets": [
    "UNP:F8W4B7"
   ]
  },
  {
   "line": 5735,
   "comp_id": "8H5",
   "ikey_connectivity": "LRXYHMMJJCTUMY",
   "smiles": "COc1ccc2c3c4n(c2c1)C(C=C(C)C)OOC(C)(C)CC4N1C(=O)C2CCCN2C(=O)C1(O)C3O",
   "targets": [
    "UNP:Q03720"
   ]
  },
  {
   "line": 4622,
   "comp_id": "6ZH",
   "ikey_connectivity": "FHVPFJNCKGYEAI",
   "smiles": "NC(=[NH2+])NCC=CC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q9WVG6"
   ]
  },
  {
   "line": 8869,
   "comp_id": "A1D97",
   "ikey_connectivity": "PVKIFNZMYGMWPD",
   "smiles": "CC(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4sc(C5CCCC5)nc4c3)c2c1",
   "targets": [
    "UNP:Q9QZL0"
   ]
  },
  {
   "line": 13187,
   "comp_id": "DVW",
   "ikey_connectivity": "",
   "smiles": "Cc1ccc2ccc3ccc(C)[n]4->[Pt]5(<-[n]6cc(-c7cn(C8OC(O)C(O)C(O)C8O)nn7)n(C)c6)(<-[n]1c2c34)[CH]=[CH]5",
   "targets": [
    "UNP:P61823"
   ]
  },
  {
   "line": 12213,
   "comp_id": "C9A",
   "ikey_connectivity": "UNFJKYZUZIXOQX",
   "smiles": "CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCc2ccc(Cl)cc2)cn3Cc2ccc(S(C)(=O)=O)cc2)CC1",
   "targets": [
    "UNP:D0PY27"
   ]
  },
  {
   "line": 7663,
   "comp_id": "A1B3I",
   "ikey_connectivity": "WUSGUAGFFPWQJA",
   "smiles": "CSc1nccnc1CC(=O)N1CCCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 13705,
   "comp_id": "EKG",
   "ikey_connectivity": "QHZLMUACJMDIAE",
   "smiles": "CCCCCCCCCCCCCCCC(=O)OCC(O)CO",
   "targets": [
    "UNP:A0A1E1GJG5",
    "UNP:B2ZHY7",
    "UNP:P61769",
    "UNP:Q6V7J5"
   ]
  },
  {
   "line": 6592,
   "comp_id": "9MH",
   "ikey_connectivity": "HEOXKDDZAJDQPA",
   "smiles": "NCC(=O)Nc1ccc2ccc(C(=O)c3ccc(F)c(O)c3)nc2c1",
   "targets": [
    "UNP:Q9BPX1"
   ]
  },
  {
   "line": 18534,
   "comp_id": "LM8",
   "ikey_connectivity": "PIZRMBAQQYSBSA",
   "smiles": "CCCCCC=CC(C)C=CCC=CCC=CCCCC(=O)O",
   "targets": [
    "UNP:Q05769"
   ]
  },
  {
   "line": 14372,
   "comp_id": "FKM",
   "ikey_connectivity": "AMCGLRWKUQPNKD",
   "smiles": "CC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1",
   "targets": [
    "UNP:P33316"
   ]
  },
  {
   "line": 20418,
   "comp_id": "OPU",
   "ikey_connectivity": "AFDLQIMJQFTLQM",
   "smiles": "Cc1ccn2cnnc2c1NC(=O)C1CCOc2ccc(Cl)cc21",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 22778,
   "comp_id": "S63",
   "ikey_connectivity": "TVSPUBDQAPCPQX",
   "smiles": "CC1(C(=O)O)CCN(C(=O)Cc2c[nH]c3nccc(Cl)c23)C1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 5624,
   "comp_id": "8AM",
   "ikey_connectivity": "MJLFLAORJNTNDV",
   "smiles": "CCC(=O)NC1CN(c2nc(Nc3cn(C)nc3OC)c3ncn(C(C)C)c3n2)CC1F",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 15017,
   "comp_id": "GHN",
   "ikey_connectivity": "BOOGQWHJJOHPJE",
   "smiles": "CCOC(=O)Cc1nc(-c2ccc(S(=O)(=O)NCCC(F)(F)F)cc2)cs1",
   "targets": [
    "UNP:P9WMC1"
   ]
  },
  {
   "line": 21272,
   "comp_id": "Q21",
   "ikey_connectivity": "QCNXGTHMVPSAAC",
   "smiles": "CC(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1",
   "targets": [
    "UNP:A0A6L8P2U9",
    "UNP:Q8T6T2",
    "UNP:Q926Y9"
   ]
  },
  {
   "line": 10167,
   "comp_id": "A1J4C",
   "ikey_connectivity": "",
   "smiles": "Cc1ccc([N]2=C[N-](c3ccc(C)cc3)->[Ru]345<-[O-]C(C)[O-]->[Ru]<-23(<-[O-]C(C)[O-]->4)<-[O-]C(C)[O-]->5)cc1",
   "targets": [
    "UNP:P00698"
   ]
  },
  {
   "line": 9802,
   "comp_id": "A1IJ6",
   "ikey_connectivity": "BZGASCWVHGFRKP",
   "smiles": "CC(NC1=C=C=C(C#N)C=C1C1CC1)C(=O)NC(N)=O",
   "targets": [
    "UNP:P08235",
    "UNP:Q15788"
   ]
  },
  {
   "line": 3783,
   "comp_id": "5TB",
   "ikey_connectivity": "FGLHMHLKBALILM",
   "smiles": "CNCc1ccc(N2CCCN(C(=O)CCC3CCCC3)C2)cc1",
   "targets": [
    "UNP:P9WMC1"
   ]
  },
  {
   "line": 27655,
   "comp_id": "ZQ6",
   "ikey_connectivity": "RYZYAFQBJREEFR",
   "smiles": "COc1ccccc1CNc1cc(NCC2CCNCC2O)nc2c(C(C)C)cnn12",
   "targets": [
    "UNP:P50613",
    "UNP:P51946",
    "UNP:P51948"
   ]
  },
  {
   "line": 25750,
   "comp_id": "WWN",
   "ikey_connectivity": "DESZZRQUGKNYDX",
   "smiles": "CCC(CNc1ncnc2nc[nH]c12)NC(=O)CC1CCCCC1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 16440,
   "comp_id": "IPO",
   "ikey_connectivity": "AJEPKWPHKPETBM",
   "smiles": "NC(Cc1ccc(I)cc1)C(=O)NO",
   "targets": [
    "UNP:Q01693"
   ]
  },
  {
   "line": 711,
   "comp_id": "17N",
   "ikey_connectivity": "KTEBZKXXNMHJFH",
   "smiles": "COc1cccc2c1cc(C(=O)O)c1c(C(=O)O)cc3c(c12)OCO3",
   "targets": [
    "UNP:P9WFX5"
   ]
  },
  {
   "line": 19296,
   "comp_id": "MYV",
   "ikey_connectivity": "YZYNKVRRUWKKRX",
   "smiles": "CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC=CC1(O)COC1OC(C)C(O)C(OC)C1OC",
   "targets": [
    "UNP:Q59523"
   ]
  },
  {
   "line": 3021,
   "comp_id": "4RL",
   "ikey_connectivity": "QOSIRQNYWJNZFB",
   "smiles": "CCC(C)C(NC(=O)CC1NC(=O)C(CNC(=O)C(N)CC(=O)O)N(Cc2ccccc2)C1=O)C(=O)NC(C)(C)C",
   "targets": [
    "UNP:P12830"
   ]
  },
  {
   "line": 12999,
   "comp_id": "DK5",
   "ikey_connectivity": "JDMVJAAWOFCRPK",
   "smiles": "O=C(Nc1ccn(C2CC(F)C(O)C(CO)O2)c(=O)n1)c1ccccc1",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 4063,
   "comp_id": "66P",
   "ikey_connectivity": "JLWGOAGEDWMEBT",
   "smiles": "NC1CCC(Nc2cc[nH]c(=O)c2-c2nc3ccccc3[nH]2)CC1",
   "targets": [
    "UNP:P23458"
   ]
  },
  {
   "line": 13419,
   "comp_id": "E6I",
   "ikey_connectivity": "ISDYKCYQNXYVMQ",
   "smiles": "CCOC(=O)c1cc(Br)c([N+](=O)[O-])o1",
   "targets": [
    "UNP:P04585"
   ]
  },
  {
   "line": 744,
   "comp_id": "190",
   "ikey_connectivity": "RVHWPGAHEOLZNT",
   "smiles": "Cc1cccc(C)c1OCC(=O)NC(Cc1cccc(Br)c1)C(O)CC(CC(C)C)S(=O)(=O)c1ccc(F)cc1",
   "targets": [
    "UNP:P03367"
   ]
  },
  {
   "line": 24904,
   "comp_id": "VJ5",
   "ikey_connectivity": "NZWNGZWURJFQPT",
   "smiles": "CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncccn1",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 25628,
   "comp_id": "WPW",
   "ikey_connectivity": "IHGXXAROVLOLDO",
   "smiles": "O=C(CCl)NCC1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC1",
   "targets": [
    "UNP:P31947"
   ]
  },
  {
   "line": 20557,
   "comp_id": "OW6",
   "ikey_connectivity": "CRHBWGFUPXDNDU",
   "smiles": "COC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(C=Cc3ccc(Cl)cc3)ccc2n1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 26938,
   "comp_id": "YHJ",
   "ikey_connectivity": "BQHAUUUZCGWWEE",
   "smiles": "O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)OCc1ccccc1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 2504,
   "comp_id": "3Y6",
   "ikey_connectivity": "ALFFAZKBOABSLT",
   "smiles": "CCn1ccn(C(=O)NC(C(=O)NC(Cc2cccc(C(=O)O)c2)B(O)O)c2ccc(O)cc2)c(=O)c1=O",
   "targets": [
    "UNP:P9WKD3"
   ]
  },
  {
   "line": 7597,
   "comp_id": "A1B1B",
   "ikey_connectivity": "NHPQEFHMDYOTOA",
   "smiles": "COc1cccc(Cl)c1CC(=O)N1CCCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 7314,
   "comp_id": "A1AKJ",
   "ikey_connectivity": "YJJAOPVQZWSUDF",
   "smiles": "O=c1[nH]c2nc(-c3ccccc3)sc2c(=O)n1O",
   "targets": [
    "UNP:Q65XK0"
   ]
  },
  {
   "line": 9026,
   "comp_id": "A1ECV",
   "ikey_connectivity": "",
   "smiles": "C=CC1=C(C)c2cc3c(C)c(C=CC(=O)O)c4c5c6[n]7->[Mg+2]8(<-[n]2c1cc1c(C(=O)OC)c(C=C)c(cc7C(C)=C6C(=O)C5C(=O)OC)[n-]->81)<-[n-]34",
   "targets": [
    "UNP:A0A6V2SE28",
    "UNP:A0A7S3TFW5",
    "UNP:A0A7S3TG01",
    "UNP:A0A7S3WIW7",
    "UNP:A0A7S3WZA0",
    "UNP:A0A7S3X4W4",
    "UNP:Q4G369",
    "UNP:Q4G371",
    "UNP:Q4G373",
    "UNP:Q4G3B5",
    "UNP:Q4G3B8",
    "UNP:Q4G3B9",
    "UNP:Q4G3C1",
    "UNP:Q4G3F5",
    "UNP:Q4G3F6",
    "UNP:R1B3D6",
    "UNP:R1BKA6",
    "UNP:R1BTM8",
    "UNP:R1CGG7",
    "UNP:R1CMT6",
    "UNP:R1CV07",
    "UNP:R1D5F1",
    "UNP:R1DAV6",
    "UNP:R1DCN2",
    "UNP:R1DEA6",
    "UNP:R1DLA7",
    "UNP:R1DMQ2",
    "UNP:R1DNR0",
    "UNP:R1DWS2",
    "UNP:R1DY94",
    "UNP:R1EB65",
    "UNP:R1ED82",
    "UNP:R1EIA6",
    "UNP:R1ESZ0",
    "UNP:R1EZZ6",
    "UNP:R1FED1",
    "UNP:R1FP66"
   ]
  },
  {
   "line": 3715,
   "comp_id": "5PH",
   "ikey_connectivity": "PBZHVFMSQSBSIF",
   "smiles": "CC(=O)C(CC(=O)O)NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1)c1ccccc1",
   "targets": [
    "UNP:P29466"
   ]
  },
  {
   "line": 25150,
   "comp_id": "VYN",
   "ikey_connectivity": "PIJSEUOSRTYUJM",
   "smiles": "Cc1cccc(-c2ccc(-c3cc4cnc(NC(CO)CO)nc4n(CCCCN)c3=O)c(Cl)c2)n1",
   "targets": [
    "UNP:Q9Y6E0"
   ]
  },
  {
   "line": 12703,
   "comp_id": "D2L",
   "ikey_connectivity": "KIJFPQMAPUEGBO",
   "smiles": "CCCC(CC)CC1CC(CCS(=O)(=O)OC(CC)CCC(C)CC)CC(C)N1CC=O",
   "targets": [
    "UNP:P00698"
   ]
  },
  {
   "line": 26293,
   "comp_id": "XNX",
   "ikey_connectivity": "NEZILFWWNWEUMD",
   "smiles": "O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3Cl)c3cccc(F)c23)cc1",
   "targets": [
    "UNP:P51449"
   ]
  },
  {
   "line": 7611,
   "comp_id": "A1B1T",
   "ikey_connectivity": "MMLFTESUTQGDRQ",
   "smiles": "CC(C)(CO)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c(C(N)=O)c1N",
   "targets": [
    "UNP:A3FQ16"
   ]
  },
  {
   "line": 10580,
   "comp_id": "A1L0O",
   "ikey_connectivity": "YNAKBZQLAJKZSN",
   "smiles": "O=C(O)c1ccc(P(=O)(O)OCCOCc2ccccc2)cc1",
   "targets": [
    "UNP:W0TJ64"
   ]
  },
  {
   "line": 12944,
   "comp_id": "DG2",
   "ikey_connectivity": "XOHUEYCVLUUEJJ",
   "smiles": "O=C(O)C(COP(=O)(O)O)OP(=O)(O)O",
   "targets": [
    "UNP:O93732",
    "UNP:P07738",
    "UNP:P49902",
    "UNP:P68871",
    "UNP:P69905",
    "UNP:Q3JWH7"
   ]
  },
  {
   "line": 16102,
   "comp_id": "I6T",
   "ikey_connectivity": "OHQUOAFNABRPNR",
   "smiles": "CN1CCCC1COc1nc2c(c(N3CCC(C=O)C(O)C3)n1)CCN(c1cccc3cccc(Cl)c13)C2",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 15248,
   "comp_id": "GUI",
   "ikey_connectivity": "QQWUGDVOUVUTOY",
   "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1",
   "targets": [
    "UNP:P07332",
    "UNP:Q9UM73"
   ]
  },
  {
   "line": 10834,
   "comp_id": "A1LZB",
   "ikey_connectivity": "GKCQEDVRGDZCTD",
   "smiles": "Cn1cc(-c2ccccc2OCC2CC2)c2nn(CC3CCN(S(C)(=O)=O)CC3)cc2c1=O",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 2942,
   "comp_id": "4MR",
   "ikey_connectivity": "FMKQJGOROFNCGM",
   "smiles": "O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCN(c3ncccn3)CC2)C(=O)N1",
   "targets": [
    "UNP:P14780"
   ]
  },
  {
   "line": 15430,
   "comp_id": "H4U",
   "ikey_connectivity": "QSPOUTDHJRMRRP",
   "smiles": "CCc1nc(N)nc(N)c1OCCCCOc1cccc(CCCc2nnn[nH]2)c1",
   "targets": [
    "UNP:P9WNX1"
   ]
  },
  {
   "line": 7788,
   "comp_id": "A1B8Q",
   "ikey_connectivity": "DHEAQALHKCHLOS",
   "smiles": "O=C(Nc1ccc2c(c1)CNC2)c1cc(F)cc2[nH]nnc12",
   "targets": [
    "UNP:Q32ZE1"
   ]
  },
  {
   "line": 24779,
   "comp_id": "VDH",
   "ikey_connectivity": "OCCBDBRLOQJNFE",
   "smiles": "CCN1Cc2cc(NC(=O)c3cnc4cc(=O)[nH]n4c3C)ccc2NCCC1=O",
   "targets": [
    "UNP:P30405"
   ]
  },
  {
   "line": 21176,
   "comp_id": "PWR",
   "ikey_connectivity": "CJFRFTLFKMUSPS",
   "smiles": "O=C(Nc1c[n+]([O-])cc2ccccc12)C1CCOc2ccc(Cl)cc21",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 20914,
   "comp_id": "PFW",
   "ikey_connectivity": "MUQUFIBWWXZLNL",
   "smiles": "COc1cc2ncnc(N3CCCC(c4ccccc4)C3)c2cc1OCCc1ccc2ccccc2n1",
   "targets": [
    "UNP:Q9QYJ6"
   ]
  },
  {
   "line": 4205,
   "comp_id": "6DZ",
   "ikey_connectivity": "NLHRMBTYEDTOKC",
   "smiles": "CN1CCN(CCNc2nc(N)n3nc(-c4ccco4)nc3n2)CC1",
   "targets": [
    "UNP:P0ABE7",
    "UNP:P29274"
   ]
  },
  {
   "line": 9979,
   "comp_id": "A1IQN",
   "ikey_connectivity": "TXKCTYTZFLKCFP",
   "smiles": "C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CC#C[Si](C)(C)C)CC(O)CC1O",
   "targets": [
    "UNP:Q15596",
    "UNP:Q9PTN2"
   ]
  },
  {
   "line": 17253,
   "comp_id": "JSK",
   "ikey_connectivity": "WVTAXSQMBJVQAL",
   "smiles": "N=NNCCOCCOc1ccc(-c2cn(CC3NCC(O)C3O)nn2)cc1",
   "targets": [
    "UNP:P22073"
   ]
  },
  {
   "line": 11693,
   "comp_id": "BER",
   "ikey_connectivity": "YBHILYKTIRIUTE",
   "smiles": "COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2",
   "targets": [
    "UNP:A0A0F6AY66",
    "UNP:P00592",
    "UNP:P00720",
    "UNP:P07550",
    "UNP:P11797",
    "UNP:P38489",
    "UNP:P59071",
    "UNP:Q06GJ0"
   ]
  },
  {
   "line": 11279,
   "comp_id": "AQY",
   "ikey_connectivity": "RNPHICWBCUQEML",
   "smiles": "Cc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3cc[n+]([O-])c(C)c3)c2)ccc1F",
   "targets": [
    "UNP:Q16539"
   ]
  },
  {
   "line": 12090,
   "comp_id": "C2W",
   "ikey_connectivity": "QAEMDWMOUWWGNG",
   "smiles": "COc1ccc2c(c1)C(=O)NC(C(=O)NC1(C#N)CC1)Cc1ccc(c(Cl)c1)OCCCCO2",
   "targets": [
    "UNP:Q95PM0"
   ]
  },
  {
   "line": 3411,
   "comp_id": "5B5",
   "ikey_connectivity": "FXVKEZICEPPSOS",
   "smiles": "CCNC1COC2OCCC(OC(=O)NC(Cc3ccccc3)C(O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)C12",
   "targets": [
    "UNP:P04585"
   ]
  },
  {
   "line": 2912,
   "comp_id": "4KT",
   "ikey_connectivity": "JKDVQSBZXOTCNO",
   "smiles": "COc1ccc(C#N)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1",
   "targets": [
    "UNP:Q9UKE5"
   ]
  },
  {
   "line": 2460,
   "comp_id": "3VU",
   "ikey_connectivity": "CXFHZAGALDYYDH",
   "smiles": "Cc1c(Oc2nc(N)ns2)cc2c(c1C)C(CC(=O)O)OB2O",
   "targets": [
    "UNP:P14489",
    "UNP:P24735"
   ]
  },
  {
   "line": 14118,
   "comp_id": "F6I",
   "ikey_connectivity": "HRYBICGLAWEIFK",
   "smiles": "O=C(Nc1nnn[nH]1)C1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)Cc2ccccc21",
   "targets": [
    "UNP:A6V1E4"
   ]
  },
  {
   "line": 4940,
   "comp_id": "7EI",
   "ikey_connectivity": "DTMWTIIYQBRXHW",
   "smiles": "COc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(OCCN4CCCCC4)cc2)=C3c2ccc(O)cc2)cc1",
   "targets": [
    "UNP:P03372"
   ]
  },
  {
   "line": 16342,
   "comp_id": "IKD",
   "ikey_connectivity": "HXSSLURGSSMMAH",
   "smiles": "CC(C)(C)c1cc(Nc2ccnc(Nc3ccc(CC#N)cc3)n2)[nH]n1",
   "targets": [
    "UNP:Q86Y07"
   ]
  },
  {
   "line": 1676,
   "comp_id": "2NV",
   "ikey_connectivity": "LPPZTQZWMYYVLK",
   "smiles": "CCOCCOCCOCCOCCOCC(C)N",
   "targets": [
    "UNP:G0GE26",
    "UNP:P9WGR1"
   ]
  },
  {
   "line": 3486,
   "comp_id": "5EF",
   "ikey_connectivity": "WMOJSIMFSAOOLP",
   "smiles": "NS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)CCO)c(NC2CCc3ccccc32)c1F",
   "targets": [
    "UNP:O43570",
    "UNP:P00918"
   ]
  },
  {
   "line": 14853,
   "comp_id": "G93",
   "ikey_connectivity": "KGPGFQWBCSZGEL",
   "smiles": "CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21",
   "targets": [
    "UNP:P31751",
    "UNP:P9WI81"
   ]
  },
  {
   "line": 25038,
   "comp_id": "VQX",
   "ikey_connectivity": "BVEYUFNXLOTLDG",
   "smiles": "[N-]=[N+]=NCCCCCCCC(=O)N1C2C(O)C(O)C(O)C(CO)C21",
   "targets": [
    "UNP:A0A1C7IHX3"
   ]
  },
  {
   "line": 26443,
   "comp_id": "XVA",
   "ikey_connectivity": "MBNBALAHMQJWSW",
   "smiles": "CN(C)CCc1cc(F)c(F)c(CCc2cc(C(F)F)cc(N)n2)c1",
   "targets": [
    "UNP:P29474",
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 20906,
   "comp_id": "PFO",
   "ikey_connectivity": "XPWHRQHBPRSUAW",
   "smiles": "Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(Cc3ccon3)CC2)n1",
   "targets": [
    "UNP:P48730"
   ]
  },
  {
   "line": 19307,
   "comp_id": "MZA",
   "ikey_connectivity": "BJOZEZZETKKCMQ",
   "smiles": "O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc2c(c1F)CCNC2",
   "targets": [
    "UNP:P00742"
   ]
  },
  {
   "line": 26716,
   "comp_id": "Y7T",
   "ikey_connectivity": "FALMHAHJTTZSNA",
   "smiles": "CC(=O)N1CCN(c2ccc3ncn(Cc4cn(Cc5ccc(C#N)c(F)c5)nn4)c(=O)c3c2)CC1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 2018,
   "comp_id": "365",
   "ikey_connectivity": "SQCWYVPZBCHHDX",
   "smiles": "NCC1O[B-]2(OC3C(COP(=O)(O)O)OC(n4cnc5c(N)ncnc54)C3O2)c2c(OCCCO)cccc21",
   "targets": [
    "UNP:A0A0U0XQP3",
    "UNP:P07813"
   ]
  },
  {
   "line": 11406,
   "comp_id": "AYZ",
   "ikey_connectivity": "YOCROJNDVYFOIL",
   "smiles": "NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(=O)O)c1",
   "targets": [
    "UNP:O15496"
   ]
  },
  {
   "line": 14062,
   "comp_id": "F3J",
   "ikey_connectivity": "BPXUPQRJNWPFQU",
   "smiles": "COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCC1)c1ccccc1C(=O)N2C",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 20921,
   "comp_id": "PGI",
   "ikey_connectivity": "MLRMIFDEZCZOAE",
   "smiles": "OCC1C(O)C(O)C(O)c2[nH]c(CCc3ccccc3)c[n+]21",
   "targets": [
    "UNP:P22498",
    "UNP:Q08638"
   ]
  },
  {
   "line": 5436,
   "comp_id": "80P",
   "ikey_connectivity": "IDWTZCZXXFOLNV",
   "smiles": "CCN(CC)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cc(C5CCCN5)c(C(F)(F)F)c4CC3CC12",
   "targets": [
    "UNP:A0A7U3Y808",
    "UNP:A0A7U3Y815",
    "UNP:A0A7U3Y9I4",
    "UNP:A0A7U4DFF9",
    "UNP:B7I2K7",
    "UNP:B7I3U0",
    "UNP:B7I4T0",
    "UNP:B7I5N9",
    "UNP:B7I693",
    "UNP:B7I694",
    "UNP:B7I6V8",
    "UNP:B7I6V9",
    "UNP:B7I7A4",
    "UNP:B7I7B6",
    "UNP:B7I7R9",
    "UNP:B7I7S0",
    "UNP:B7I9B0",
    "UNP:B7IA13",
    "UNP:B7IA15",
    "UNP:B7IA16",
    "UNP:B7IA17",
    "UNP:B7IA18",
    "UNP:B7IA20",
    "UNP:B7IA21",
    "UNP:B7IA22",
    "UNP:B7IA23",
    "UNP:B7IA24",
    "UNP:B7IA25",
    "UNP:B7IA26",
    "UNP:B7IA27",
    "UNP:B7IA28",
    "UNP:B7IA29",
    "UNP:B7IA30",
    "UNP:B7IA31",
    "UNP:B7IA32",
    "UNP:B7IA33",
    "UNP:B7IA35",
    "UNP:B7IA36",
    "UNP:B7IA37",
    "UNP:B7IA38",
    "UNP:B7IA39",
    "UNP:B7IA40",
    "UNP:B7IAS9",
    "UNP:B7IAT2",
    "UNP:B7IBC1",
    "UNP:B7IBC2",
    "UNP:B7IBC3",
    "UNP:B7IBH8",
    "UNP:Q2FD94"
   ]
  },
  {
   "line": 6344,
   "comp_id": "9A8",
   "ikey_connectivity": "COESBKQDPONYFC",
   "smiles": "CC(C)Oc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 13698,
   "comp_id": "EK5",
   "ikey_connectivity": "IVRHNXDBTVKZAH",
   "smiles": "O=C(NCc1ccc2c(c1)CCO2)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1",
   "targets": [
    "UNP:P28482"
   ]
  },
  {
   "line": 27681,
   "comp_id": "ZS0",
   "ikey_connectivity": "GMNQNGTVFNOHLD",
   "smiles": "O=c1[nH]c(=S)n(Cc2ccc(F)cc2)c2nc[nH]c12",
   "targets": [
    "UNP:P05164"
   ]
  },
  {
   "line": 15119,
   "comp_id": "GMV",
   "ikey_connectivity": "",
   "smiles": "Nc1nc2c(ncn2C2OC(COP(=O)([O-])[O-]->[V]([O-])([O-])([O-])[O-])C(O)C2O)c(=O)[nH]1",
   "targets": [
    "UNP:Q5ZUA2"
   ]
  },
  {
   "line": 11788,
   "comp_id": "BKD",
   "ikey_connectivity": "MPXKOIKIRQBXKT",
   "smiles": "CC(=O)N1CCc2c(c(-c3cccc4[nH]ccc34)nn2CC2CC2)C1",
   "targets": [
    "UNP:Q92793"
   ]
  },
  {
   "line": 5565,
   "comp_id": "87G",
   "ikey_connectivity": "RWDOZZPKEZJESZ",
   "smiles": "CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c3c(=O)[nH]ccc23)c1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 19570,
   "comp_id": "NDT",
   "ikey_connectivity": "UQIDNSKBUXCODH",
   "smiles": "Cc1ccc(S(=O)(=O)N2N=Cc3ccccc3B2O)cc1",
   "targets": [
    "UNP:P32794"
   ]
  },
  {
   "line": 12176,
   "comp_id": "C7N",
   "ikey_connectivity": "SJMZFTTXPYYBAG",
   "smiles": "CN1CCC(=C2c3ccccc3C=Cc3cc(O)ccc32)CC1",
   "targets": [
    "UNP:Q8WTS6"
   ]
  },
  {
   "line": 11810,
   "comp_id": "BLK",
   "ikey_connectivity": "XYDQQGDGPLGSGU",
   "smiles": "CC(C)(C)OC(=O)NCCCCC(N)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q8PWY1"
   ]
  },
  {
   "line": 3654,
   "comp_id": "5ME",
   "ikey_connectivity": "HWTVYWVFOWWESR",
   "smiles": "CC(NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1",
   "targets": [
    "UNP:Q9Y6F1"
   ]
  },
  {
   "line": 6372,
   "comp_id": "9BO",
   "ikey_connectivity": "YBGJUDVVSGWLOR",
   "smiles": "CC(=O)OC(C)C(C)=CCCC(C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O",
   "targets": [
    "UNP:Q02127"
   ]
  },
  {
   "line": 16926,
   "comp_id": "JCW",
   "ikey_connectivity": "FQBYLVVJPBRDCG",
   "smiles": "NC(=O)c1ccnc(-c2cc(C3CC4CCC3N4)cnc2F)c1",
   "targets": [
    "UNP:Q8WSF8"
   ]
  },
  {
   "line": 8519,
   "comp_id": "A1CIM",
   "ikey_connectivity": "NLOSFORGRBCEDF",
   "smiles": "COC(CC(O)C(O)CO)C(=O)NC(C)(O)C1OC(OC)(C(=O)O)CC(O)C1C(N)=O",
   "targets": [
    "UNP:Q73M00",
    "UNP:Q73MN3",
    "UNP:Q73MU8",
    "UNP:Q73MU9",
    "UNP:Q73NZ6"
   ]
  },
  {
   "line": 8235,
   "comp_id": "A1BW6",
   "ikey_connectivity": "VCGXFVJENSAIDN",
   "smiles": "C=CC(=O)NC1CCC(c2ccc(F)c(C(=O)n3nc(Nc4ccc(S(N)(=O)=O)cc4)nc3N)c2F)CC1",
   "targets": [
    "UNP:O60674"
   ]
  },
  {
   "line": 22581,
   "comp_id": "RW2",
   "ikey_connectivity": "VNQKGJPXVHNUEY",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(CNC2=C(C(=O)O)CC(C(=O)O)C2)c1O",
   "targets": [
    "UNP:P04181",
    "UNP:P80147"
   ]
  },
  {
   "line": 13239,
   "comp_id": "DYF",
   "ikey_connectivity": "KFHBREMVHHVYJE",
   "smiles": "CCCCCC=CC(=O)NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O",
   "targets": [
    "UNP:A0A1Y1BW66",
    "UNP:A0A1Y1BW67",
    "UNP:A0A1Y1BWQ0"
   ]
  },
  {
   "line": 3736,
   "comp_id": "5R4",
   "ikey_connectivity": "AHVJTPYPUIHNLS",
   "smiles": "CC(=O)N(CC#Cc1cccc(C(N)=O)c1)CC1CC(n2ccc3c(Cl)ncnc32)C(O)C1O",
   "targets": [
    "UNP:P40261"
   ]
  },
  {
   "line": 2943,
   "comp_id": "4MS",
   "ikey_connectivity": "OOHPVZYDADHCHM",
   "smiles": "CC(C)(C)C1C(O)=C(C2=NS(=O)(=O)c3c(CNS(C)(=O)=O)cccc32)C(=O)N1Cc1ccc(F)c(Cl)c1",
   "targets": [
    "UNP:P26663"
   ]
  },
  {
   "line": 26156,
   "comp_id": "XHC",
   "ikey_connectivity": "DQRPBPYBCXLUNW",
   "smiles": "Cc1ccc(C2(C)NC(=O)N(Cc3ccc(Cl)c(Cc4ccc(Cl)cc4)c3)C2=O)cc1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 18568,
   "comp_id": "LO3",
   "ikey_connectivity": "YPLVKLZVFQFTLN",
   "smiles": "COC1CC(C)OC(CCC(C)C(O)C(C)C2OC(=O)C=CC(C)=CC(O)C(OC)CC3C=CCC(CC(OC)C4(CO4)C(OC)CC(OC)C2C)O3)C1",
   "targets": [
    "UNP:P68135"
   ]
  },
  {
   "line": 20843,
   "comp_id": "PB3",
   "ikey_connectivity": "GTBUZLPQANSGGE",
   "smiles": "Cc1cccc(CNC(=O)c2cc(C(=O)NCc3cccc(C)c3)ncn2)c1",
   "targets": [
    "UNP:P45452"
   ]
  },
  {
   "line": 24877,
   "comp_id": "VHV",
   "ikey_connectivity": "GLZAWCKOCLSXEU",
   "smiles": "CC(C)CC(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(CO)CC1CCNC1=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 21980,
   "comp_id": "R0X",
   "ikey_connectivity": "QUSRKKAMVTXFME",
   "smiles": "COc1cc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4c3cnn4C)c2)cc(OC)c1",
   "targets": [
    "UNP:P29317"
   ]
  },
  {
   "line": 9575,
   "comp_id": "A1I4K",
   "ikey_connectivity": "HJQNHYHQCJFQEL",
   "smiles": "c1ncc(C2CC2)cc1-c1cn(C2(c3ccc(N4CCCC(NCC5CC5)C4)cn3)COC2)nn1",
   "targets": [
    "UNP:Q86U44",
    "UNP:Q9HCE5"
   ]
  },
  {
   "line": 13734,
   "comp_id": "ELU",
   "ikey_connectivity": "SJMIVFIDXGVUHA",
   "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCOP(=O)(O)OP(=O)(O)O",
   "targets": [
    "UNP:A0A094YZ24",
    "UNP:P04843",
    "UNP:P04844",
    "UNP:P05388",
    "UNP:P0C6T2",
    "UNP:P14625",
    "UNP:P18077",
    "UNP:P18124",
    "UNP:P18621",
    "UNP:P26373",
    "UNP:P30050",
    "UNP:P32969",
    "UNP:P33767",
    "UNP:P35268",
    "UNP:P36578",
    "UNP:P39007",
    "UNP:P39023",
    "UNP:P39656",
    "UNP:P40429",
    "UNP:P41543",
    "UNP:P42766",
    "UNP:P43307",
    "UNP:P43308",
    "UNP:P46776",
    "UNP:P46777",
    "UNP:P46778",
    "UNP:P46779",
    "UNP:P46964",
    "UNP:P46977",
    "UNP:P47914",
    "UNP:P48439",
    "UNP:P49207",
    "UNP:P50914",
    "UNP:P51571",
    "UNP:P60059",
    "UNP:P60468",
    "UNP:P61165",
    "UNP:P61254",
    "UNP:P61313",
    "UNP:P61353",
    "UNP:P61513",
    "UNP:P61619",
    "UNP:P61803",
    "UNP:P61927",
    "UNP:P62424",
    "UNP:P62750",
    "UNP:P62829",
    "UNP:P62888",
    "UNP:P62891",
    "UNP:P62899",
    "UNP:P62906",
    "UNP:P62910",
    "UNP:P62913",
    "UNP:P62917",
    "UNP:P62945",
    "UNP:P62987",
    "UNP:P63173",
    "UNP:P83731",
    "UNP:P83881",
    "UNP:P84098",
    "UNP:Q02543",
    "UNP:Q02795",
    "UNP:Q02878",
    "UNP:Q07020",
    "UNP:Q8N6L1",
    "UNP:Q92316",
    "UNP:Q96L21",
    "UNP:Q99380",
    "UNP:Q9H6E4",
    "UNP:Q9NRP0",
    "UNP:Q9NYL4",
    "UNP:Q9UNL2",
    "UNP:Q9Y3U8",
    "UNP:Q9Y6X1"
   ]
  },
  {
   "line": 23794,
   "comp_id": "TW3",
   "ikey_connectivity": "BXIPALATIYNHJN",
   "smiles": "CC(C)=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O",
   "targets": [
    "UNP:Q96RQ3",
    "UNP:Q9HCC0"
   ]
  },
  {
   "line": 24453,
   "comp_id": "UVU",
   "ikey_connectivity": "RLVQMIFZROVBAO",
   "smiles": "CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3cc(C)sc3n1)n2Cc1ccc(-c2ccn(C)n2)cc1",
   "targets": [
    "UNP:P17752"
   ]
  },
  {
   "line": 26129,
   "comp_id": "XFR",
   "ikey_connectivity": "AGWHKDXHVADVIY",
   "smiles": "CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 4109,
   "comp_id": "690",
   "ikey_connectivity": "NPAMWFMDBHAIAJ",
   "smiles": "CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCC3OB(O)c4ccccc43)S(C)(=O)=O)c(C3CC3)cc12",
   "targets": [
    "UNP:P26663"
   ]
  },
  {
   "line": 3975,
   "comp_id": "62N",
   "ikey_connectivity": "YLSASLPOLFYUDU",
   "smiles": "O=C(NC(=O)c1ccc(C(F)(F)F)cc1)NC1OC(CO)C(O)C(O)C1O",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 7518,
   "comp_id": "A1AUY",
   "ikey_connectivity": "JUZDGDKKUQHOGA",
   "smiles": "FC1(F)CCC(c2cnn3ccc(-c4ncccn4)nc23)CC1",
   "targets": [
    "UNP:U3M7V0"
   ]
  },
  {
   "line": 27643,
   "comp_id": "ZPN",
   "ikey_connectivity": "KNEMNZWQWFRUIB",
   "smiles": "C=C1CC2C=C(C)CC(C(O)NC(=O)C=CC=CC)OC(=O)C=CC=C(C)CC(=O)CCCC(C1)O2",
   "targets": [
    "UNP:A0A8V0Z8P0",
    "UNP:P02554",
    "UNP:P63043",
    "UNP:P81947",
    "UNP:Q2XVP4",
    "UNP:Q6B856"
   ]
  },
  {
   "line": 2479,
   "comp_id": "3XB",
   "ikey_connectivity": "IRAITVAESBBILD",
   "smiles": "Cc1cc(N)nc(CC2CNCC2OCCNCC(F)(F)c2cccc(F)c2)c1",
   "targets": [
    "UNP:P29476"
   ]
  },
  {
   "line": 11425,
   "comp_id": "B01",
   "ikey_connectivity": "HLPBLACQLHRYRL",
   "smiles": "NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1cc(Cl)ccn1",
   "targets": [
    "UNP:P00734",
    "UNP:P09945"
   ]
  },
  {
   "line": 307,
   "comp_id": "0KF",
   "ikey_connectivity": "IFFBOVLYGJAFKB",
   "smiles": "Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1",
   "targets": [
    "UNP:P35968"
   ]
  },
  {
   "line": 6934,
   "comp_id": "A1A16",
   "ikey_connectivity": "UFKFTBGGMLIIME",
   "smiles": "CCCC(NC(=O)c1cc(Cn2ccnc2)cc(-c2cn(CC)nc2C(F)(F)F)c1)C(=O)N1CCc2sccc2C1",
   "targets": [
    "UNP:P61964"
   ]
  },
  {
   "line": 24585,
   "comp_id": "V2K",
   "ikey_connectivity": "GCZSSCUCVAUGKC",
   "smiles": "COc1ccc2c(c1)nc(C)n2-c1ccc(C=O)cc1",
   "targets": [
    "UNP:P31947",
    "UNP:Q04206"
   ]
  },
  {
   "line": 19225,
   "comp_id": "MUU",
   "ikey_connectivity": "XCGCXCBWFPNYSI",
   "smiles": "CNC(=O)CCC(=O)NC(Cc1ccccc1)C(O)CN(CC1CC1)S(=O)(=O)c1cccc(OC)c1",
   "targets": [
    "UNP:O38723"
   ]
  },
  {
   "line": 5608,
   "comp_id": "89C",
   "ikey_connectivity": "RYPRBMJTFFTZNM",
   "smiles": "COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1O",
   "targets": [
    "UNP:A0A8V0Z8P0",
    "UNP:P02554",
    "UNP:P63043",
    "UNP:Q2XVP4"
   ]
  },
  {
   "line": 24381,
   "comp_id": "URR",
   "ikey_connectivity": "SNFBJKJTJOFDKW",
   "smiles": "CC(C)CC(NC(=O)OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O",
   "targets": [
    "UNP:K9N7C7",
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 10188,
   "comp_id": "A1JAP",
   "ikey_connectivity": "YALRQOMGANIIQK",
   "smiles": "CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCC(N)C(=O)O)OCCC(C)(O)CCCC(C)CCCC(C)CCCC(C)C",
   "targets": [
    "UNP:O59638",
    "UNP:O59640",
    "UNP:P80650",
    "UNP:P80651",
    "UNP:P80653",
    "UNP:P80654",
    "UNP:P80655",
    "UNP:P80656",
    "UNP:Q8PUD4"
   ]
  },
  {
   "line": 25371,
   "comp_id": "WC0",
   "ikey_connectivity": "NNAGTYPHQJODGQ",
   "smiles": "CN(C)CCNC(=O)CC(Cc1ccc(F)cc1)NC(=O)C(Cc1ccc(Cl)cc1Cl)NC(=O)C(N)Cc1ccccc1C#N",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 2678,
   "comp_id": "46F",
   "ikey_connectivity": "HCWZBSIWWSGFFI",
   "smiles": "COc1ccc(CNC(=O)C2CN(c3ccc(Cl)nn3)CCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1",
   "targets": [
    "UNP:Q9WMX2"
   ]
  },
  {
   "line": 21438,
   "comp_id": "QAV",
   "ikey_connectivity": "SSYYPCWAUQMVJQ",
   "smiles": "COc1cc2sc(C(=O)CCC(=O)O)cc2cc1CCCc1cc2cc(C(=O)CCC(=O)O)sc2cc1OC",
   "targets": [
    "UNP:Q12306",
    "UNP:Q86WV6"
   ]
  },
  {
   "line": 4497,
   "comp_id": "6T1",
   "ikey_connectivity": "AGSYPSPYUHOIIZ",
   "smiles": "O=C(NCCCN1CCCC1)c1ccnc(-c2ccccc2OC2CN(CCc3ccc(Cl)c(Cl)c3)C2)c1",
   "targets": [
    "UNP:Q9NRG4"
   ]
  },
  {
   "line": 14277,
   "comp_id": "FG3",
   "ikey_connectivity": "MOZJRLFDFCKFFT",
   "smiles": "COc1ccc2c(c1)cc(C(=O)NS(=O)(=O)c1ccc(C)cn1)n2CC(=O)O",
   "targets": [
    "UNP:P9WIL5"
   ]
  },
  {
   "line": 24374,
   "comp_id": "UQX",
   "ikey_connectivity": "WOUFYINLHLQZCW",
   "smiles": "CNC(=O)C1Cc2c([nH]c3ccccc23)CN1C(=O)C(Cc1cccc(C)c1)NC(=O)c1ccc2[nH]ncc2c1",
   "targets": [
    "UNP:Q06187"
   ]
  },
  {
   "line": 10960,
   "comp_id": "A5S",
   "ikey_connectivity": "YNABGOTVLHSZGL",
   "smiles": "CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O",
   "targets": [
    "UNP:P07149",
    "UNP:P19097"
   ]
  },
  {
   "line": 15449,
   "comp_id": "H5G",
   "ikey_connectivity": "SGQPJUCTSXTRQV",
   "smiles": "O=C(Cc1cccc(O)c1)Nc1cccc(Cl)c1",
   "targets": [
    "UNP:P0C024"
   ]
  },
  {
   "line": 5839,
   "comp_id": "8LF",
   "ikey_connectivity": "VUFVNHBHOYPKGQ",
   "smiles": "Cc1ccc(S(=O)(=O)Nc2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)cc1",
   "targets": [
    "UNP:P18669"
   ]
  },
  {
   "line": 17212,
   "comp_id": "JQY",
   "ikey_connectivity": "OGDBBVMMKPWVLG",
   "smiles": "Cc1ccc(Nc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1C",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 4516,
   "comp_id": "6TU",
   "ikey_connectivity": "PDSXXDOIHKJRKJ",
   "smiles": "C=CCC1c2cccc(C(=O)O)c2C(=O)N1c1cccc(OC)c1",
   "targets": [
    "UNP:Q9K2N0"
   ]
  },
  {
   "line": 5848,
   "comp_id": "8LX",
   "ikey_connectivity": "CHHXEZSCHQVSRE",
   "smiles": "COc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)ncn2)cc1",
   "targets": [
    "UNP:P37231",
    "UNP:Q15788"
   ]
  },
  {
   "line": 27045,
   "comp_id": "YLJ",
   "ikey_connectivity": "LNGFVEUFXDACOC",
   "smiles": "CC(C)CC(NC(=O)OCc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 5143,
   "comp_id": "7NH",
   "ikey_connectivity": "SRPOHNDQBDHONJ",
   "smiles": "NC(=O)NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1",
   "targets": [
    "UNP:P08709",
    "UNP:P13726"
   ]
  },
  {
   "line": 21124,
   "comp_id": "PTR",
   "ikey_connectivity": "DCWXELXMIBXGTH",
   "smiles": "NC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)O",
   "targets": [
    "UNP:D3HJY4",
    "UNP:P12931",
    "UNP:P30086",
    "UNP:P54829",
    "UNP:Q06124"
   ]
  },
  {
   "line": 4201,
   "comp_id": "6DS",
   "ikey_connectivity": "BUDPSVAPFSMBAY",
   "smiles": "CCC(CC)(c1ccc(C=CC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(OCC(O)CCC(=O)O)c(C)c1",
   "targets": [
    "UNP:P11473"
   ]
  },
  {
   "line": 23990,
   "comp_id": "U7A",
   "ikey_connectivity": "XZPNEWBDLFUWEA",
   "smiles": "N#CCCN(CCc1ccccc1)CC(=O)N(CCc1ccccc1)CCc1ccc(S(N)(=O)=O)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 3193,
   "comp_id": "50W",
   "ikey_connectivity": "IHSTUTBJVPZZHZ",
   "smiles": "CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nc(C)c(C)s3)nc21",
   "targets": [
    "UNP:O60674"
   ]
  },
  {
   "line": 6122,
   "comp_id": "90A",
   "ikey_connectivity": "QYCYVPYJQWWUNK",
   "smiles": "CC(=O)NCCOCCOCCOCCOCCC(=O)O",
   "targets": [
    "UNP:P04608",
    "UNP:P28482",
    "UNP:Q15418"
   ]
  },
  {
   "line": 23713,
   "comp_id": "TQG",
   "ikey_connectivity": "ZYEJDCAIACBLPZ",
   "smiles": "O=C(O)CCC(NC(=O)COc1cccc(C(=O)O)c1)C(=O)O",
   "targets": [
    "UNP:Q9FH97"
   ]
  },
  {
   "line": 24007,
   "comp_id": "U81",
   "ikey_connectivity": "NNTYBKTXMKBRFA",
   "smiles": "O=c1cc(NCCCNC2CCOc3c(Br)cc(Br)cc32)[nH]c2ccsc12",
   "targets": [
    "UNP:Q8PMP0"
   ]
  },
  {
   "line": 20792,
   "comp_id": "P8E",
   "ikey_connectivity": "ZFZFJUIKYIVPNP",
   "smiles": "CC(O)C(N)C1OC(O)(C(=O)O)CC(O)C1N",
   "targets": [
    "UNP:B8Q9B9",
    "UNP:P22251",
    "UNP:Q6VYQ1"
   ]
  },
  {
   "line": 19982,
   "comp_id": "O32",
   "ikey_connectivity": "SWYIYUTZOKDDCD",
   "smiles": "Cc1nnc2ccc(-c3cc(OC(C)C4CNC(=O)C4)c4cccnc4c3)cn12",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 25113,
   "comp_id": "VVS",
   "ikey_connectivity": "PCIJWPBOCDNTJF",
   "smiles": "CC(C)(C)CC(C)(C)c1cc(Cn2ccnc2)c(O)c(Cn2ccnc2)c1",
   "targets": [
    "UNP:O75874"
   ]
  },
  {
   "line": 207,
   "comp_id": "0EN",
   "ikey_connectivity": "JXGIYKRRPGCLFV",
   "smiles": "CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1",
   "targets": [
    "UNP:P0C6U8",
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 25227,
   "comp_id": "W45",
   "ikey_connectivity": "MHKHGVSRGWQPII",
   "smiles": "O=C(CS)NCCCCCn1ccc2cc(Cl)c(Cl)cc21",
   "targets": [
    "UNP:F8W4B7"
   ]
  },
  {
   "line": 2318,
   "comp_id": "3OD",
   "ikey_connectivity": "HNHCIVXQBMBKPQ",
   "smiles": "CC(=O)OC1C(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC(O)C1O",
   "targets": [
    "UNP:P04637",
    "UNP:Q9WYW0"
   ]
  },
  {
   "line": 8029,
   "comp_id": "A1BNZ",
   "ikey_connectivity": "BJVLTIUJQBTOEQ",
   "smiles": "NC(=O)C1CCCN(C(=O)C(Cc2ccc(F)cc2)c2ccccc2)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 26953,
   "comp_id": "YI2",
   "ikey_connectivity": "PIRFBNFXEQEXIT",
   "smiles": "CCC(O)(CC)CSC(C)C1=CCC2C(=CC=C3CC(O)C(=CCO)C(O)C3)CCCC12C",
   "targets": [
    "UNP:P13053"
   ]
  },
  {
   "line": 19744,
   "comp_id": "NNR",
   "ikey_connectivity": "JLEBZPBDRKPWTD",
   "smiles": "NC(=O)c1ccc[n+](C2OC(CO)C(O)C2O)c1",
   "targets": [
    "UNP:A2RNB8",
    "UNP:P28907",
    "UNP:Q9NWW6"
   ]
  },
  {
   "line": 2115,
   "comp_id": "3C3",
   "ikey_connectivity": "AZHWQKVREXJRBF",
   "smiles": "CCCn1nc(C2=C(N)NON2)nc1C1=C(N)NON1",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 10054,
   "comp_id": "A1IUW",
   "ikey_connectivity": "ATVBLDDCYXMXQS",
   "smiles": "Cc1cc(C(N)=O)ccc1-c1[nH]c(C)c2c1CCCCC2=O",
   "targets": [
    "UNP:A5KDW3",
    "UNP:Q8IJ72"
   ]
  },
  {
   "line": 9075,
   "comp_id": "A1EGC",
   "ikey_connectivity": "BDIXGORKHCHMLO",
   "smiles": "O=C(Cc1cnc(NCC2CCC(Nc3ccc4ccnc(Cl)c4n3)CC2)nc1)NC1COC1",
   "targets": [
    "UNP:E9PNS6",
    "UNP:O75530",
    "UNP:Q09028",
    "UNP:Q15022",
    "UNP:Q15910",
    "UNP:Q6ZN18"
   ]
  },
  {
   "line": 726,
   "comp_id": "18C",
   "ikey_connectivity": "VODZWWMEJITOND",
   "smiles": "CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCC",
   "targets": [
    "UNP:A0A3S5YBC7",
    "UNP:P25090",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096",
    "UNP:Q9Y5P4"
   ]
  },
  {
   "line": 23930,
   "comp_id": "U47",
   "ikey_connectivity": "FWYJSNSBSOKARB",
   "smiles": "C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(F)c2)C(COCc2c[nH]nn2)C1",
   "targets": [
    "UNP:Q9H6P5"
   ]
  },
  {
   "line": 24370,
   "comp_id": "UQH",
   "ikey_connectivity": "LSJOTQOBANSWBZ",
   "smiles": "OCC1C(O)C(O)C(O)CN1CCCCCCNc1cc(-c2cccnn2)cc(C2CC2)c1",
   "targets": [
    "UNP:G0SFD1"
   ]
  },
  {
   "line": 15480,
   "comp_id": "H6K",
   "ikey_connectivity": "CUGADHZZTWSNMF",
   "smiles": "N#Cc1cnc(NC(=O)Nc2cc(-c3ccccc3)[nH]n2)cn1",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 1818,
   "comp_id": "2VH",
   "ikey_connectivity": "MHALHPKVYBFTTL",
   "smiles": "CS(=O)(=O)n1cc2c(n1)CN(C1COC(c3cc(F)c(F)cc3F)C(N)C1)C2",
   "targets": [
    "UNP:P27487"
   ]
  },
  {
   "line": 8299,
   "comp_id": "A1BZY",
   "ikey_connectivity": "XSHLGSCIJUJRJF",
   "smiles": "CS(=O)(=O)NC(=O)c1ccc2c(c1)nc(NCCNCCCCNCc1ccc(-c3ccccc3)c(Cl)c1)c1ccncc12",
   "targets": [
    "UNP:P68400"
   ]
  },
  {
   "line": 21858,
   "comp_id": "QV0",
   "ikey_connectivity": "SVWQDFXKODKDNW",
   "smiles": "O=C1N(c2cncc3ccccc23)CCCC12CCOc1ccc(Cl)cc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 13173,
   "comp_id": "DUY",
   "ikey_connectivity": "CZJLHKGARYEGAY",
   "smiles": "CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCC(C(=O)NC(C(=O)O)C2CCCC2)(c2ccc(Br)cc2)CC1",
   "targets": [
    "UNP:Q9NRD5"
   ]
  },
  {
   "line": 11982,
   "comp_id": "BWP",
   "ikey_connectivity": "MEIJADBULOETOV",
   "smiles": "CN(C)CC(O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 1853,
   "comp_id": "2X9",
   "ikey_connectivity": "SGWFOCMKXJYHKO",
   "smiles": "Cc1nc(C)c(Cc2nc3c(F)c(F)cc(F)c3s2)cc1CC(=O)O",
   "targets": [
    "UNP:P15121"
   ]
  },
  {
   "line": 7502,
   "comp_id": "A1ATV",
   "ikey_connectivity": "MWDPOQXLINTELH",
   "smiles": "CC(=O)Nc1ccc(COc2ccc(OS(O)(O)F)cc2)cc1",
   "targets": [
    "UNP:I6X8D2"
   ]
  },
  {
   "line": 26415,
   "comp_id": "XU4",
   "ikey_connectivity": "TTWGQXYYGIKZJA",
   "smiles": "CC(C)CC(NC(=O)OC(C)c1ccccc1)C(=O)NC(CO)CC1CCNC1=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 12982,
   "comp_id": "DJC",
   "ikey_connectivity": "XUJWNTWFPWMSEV",
   "smiles": "O=CCCc1ccc(-c2cc(F)ccc2C(F)(F)F)cc1",
   "targets": [
    "UNP:O60341"
   ]
  },
  {
   "line": 4171,
   "comp_id": "6CA",
   "ikey_connectivity": "OREPXZDJHRAREJ",
   "smiles": "O=C(O)c1ccc(-c2ccc(OCCCCCCOc3ccc(Nc4ccccc4C(=O)O)cc3)cc2)cc1",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 1120,
   "comp_id": "1S9",
   "ikey_connectivity": "VAJKCEBFUQHYLC",
   "smiles": "COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(=O)O",
   "targets": [
    "UNP:P43889"
   ]
  },
  {
   "line": 22928,
   "comp_id": "SDS",
   "ikey_connectivity": "MOTZDAYCYVMXPC",
   "smiles": "CCCCCCCCCCCCOS(=O)(=O)O",
   "targets": [
    "UNP:P00698",
    "UNP:P02754",
    "UNP:P02791",
    "UNP:P37001",
    "UNP:P60301",
    "UNP:P79073"
   ]
  },
  {
   "line": 14338,
   "comp_id": "FJ2",
   "ikey_connectivity": "ZPXWZHXHEMSPJU",
   "smiles": "COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(C)=O)cc1",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 18434,
   "comp_id": "LH5",
   "ikey_connectivity": "YENXZRUMZHNJKP",
   "smiles": "N=C(N)c1ccc(C2Cc3ccccc3B(O)O2)cc1OCc1cccnc1",
   "targets": [
    "UNP:Q92876"
   ]
  },
  {
   "line": 10964,
   "comp_id": "A5Y",
   "ikey_connectivity": "IBYYWHNJSYBLSJ",
   "smiles": "O=c1c2cn(C3COC3)nc2nc(SCc2cccc(F)c2)n1-c1ccccc1",
   "targets": [
    "UNP:P00352"
   ]
  },
  {
   "line": 11145,
   "comp_id": "AIO",
   "ikey_connectivity": "ZJPVCZLCDXPKCH",
   "smiles": "CCC(C)C(NC(=O)C(C)N)C(=O)N1CCCC1B(O)O",
   "targets": [
    "UNP:Q7MUW6"
   ]
  },
  {
   "line": 11932,
   "comp_id": "BT0",
   "ikey_connectivity": "QETWZQZUXAGMTQ",
   "smiles": "COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cccc13)C(=O)N2C",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 4638,
   "comp_id": "706",
   "ikey_connectivity": "RAHBGWKEPAQNFF",
   "smiles": "CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21",
   "targets": [
    "UNP:P35968"
   ]
  },
  {
   "line": 17330,
   "comp_id": "JWA",
   "ikey_connectivity": "WUVRAMLGTYQHNJ",
   "smiles": "CC(=O)NCc1onc(C)c1-c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1",
   "targets": [
    "UNP:P25440"
   ]
  },
  {
   "line": 25955,
   "comp_id": "X6O",
   "ikey_connectivity": "IAIXUKUDGNIVRC",
   "smiles": "CC(C)(C)C(NC(=O)C(F)(F)F)C(=O)N1CC2C(C1C(=O)NC(CC1CCCNC1=O)C(O)C(=O)N1CCC1)C2(C)C",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 10539,
   "comp_id": "A1JY8",
   "ikey_connectivity": "OTKBBQSLLQIFIY",
   "smiles": "CCCCCCc1ccc(Oc2ccc(C=O)cc2)c(O)c1",
   "targets": [
    "UNP:P9WGR1"
   ]
  },
  {
   "line": 11871,
   "comp_id": "BPD",
   "ikey_connectivity": "NQOOJFXBGLOGTC",
   "smiles": "O=C(O)c1cccc2c1Oc1c(C(=O)O)cccc1N2c1cccc(C(F)(F)F)c1",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 12483,
   "comp_id": "CPJ",
   "ikey_connectivity": "HAVIIPIIAVTNFO",
   "smiles": "CC1(C(=O)O)OCC(OC(=O)NCCNC(=O)OC2COC(C)(C(=O)O)OC2)CO1",
   "targets": [
    "UNP:P02743"
   ]
  },
  {
   "line": 11853,
   "comp_id": "BO2",
   "ikey_connectivity": "GXJABQQUPOEUTA",
   "smiles": "CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O",
   "targets": [
    "UNP:A0A059VAZ3",
    "UNP:A0A0H3H219",
    "UNP:A0A3Q8IB07",
    "UNP:A0A3Q8IC41",
    "UNP:A0A3Q8IIL6",
    "UNP:A0A3Q8IIY4",
    "UNP:A0A3Q8IVH0",
    "UNP:A0A3S5H7H2",
    "UNP:A0A3S7WPD8",
    "UNP:A0A3S7X127",
    "UNP:A0A504X6A3",
    "UNP:A0A504XH29",
    "UNP:A0A504XQ80",
    "UNP:A0A504XWY9",
    "UNP:A0A504Y5E1",
    "UNP:A0A5K1K7U1",
    "UNP:C6KST3",
    "UNP:C9DRU9",
    "UNP:O14818",
    "UNP:O77396",
    "UNP:P02666",
    "UNP:P20618",
    "UNP:P21242",
    "UNP:P21243",
    "UNP:P22141",
    "UNP:P23638",
    "UNP:P23639",
    "UNP:P23724",
    "UNP:P25043",
    "UNP:P25451",
    "UNP:P25786",
    "UNP:P25787",
    "UNP:P25788",
    "UNP:P25789",
    "UNP:P28062",
    "UNP:P28066",
    "UNP:P28070",
    "UNP:P28072",
    "UNP:P28074",
    "UNP:P30656",
    "UNP:P30657",
    "UNP:P32379",
    "UNP:P36776",
    "UNP:P38624",
    "UNP:P40302",
    "UNP:P40303",
    "UNP:P42425",
    "UNP:P49720",
    "UNP:P49721",
    "UNP:P60900",
    "UNP:P9WPB9",
    "UNP:P9WPC3",
    "UNP:P9WPC5",
    "UNP:P9WPC9",
    "UNP:Q16740",
    "UNP:Q5HQW0",
    "UNP:Q7K6A9",
    "UNP:Q8I0U7",
    "UNP:Q8I261",
    "UNP:Q8I6T3",
    "UNP:Q8IAR3",
    "UNP:Q8IBI3",
    "UNP:Q8IDG2",
    "UNP:Q8IDG3",
    "UNP:Q8IJT1",
    "UNP:Q8IK90",
    "UNP:Q8IKC9",
    "UNP:Q93IQ4",
    "UNP:Q99436",
    "UNP:Q9UAB4"
   ]
  },
  {
   "line": 7812,
   "comp_id": "A1BAD",
   "ikey_connectivity": "VBGFGRGDBDIDSQ",
   "smiles": "OCC(Cc1ccccn1)Nc1ncnc2[nH]ccc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 4391,
   "comp_id": "6NK",
   "ikey_connectivity": "YAZZCCWYYDHQPD",
   "smiles": "NC(=O)c1ccc2nc(NCCN3CCOCC3)[nH]c2c1",
   "targets": [
    "UNP:P28720"
   ]
  },
  {
   "line": 2184,
   "comp_id": "3GE",
   "ikey_connectivity": "RSKLLQJITLFPCX",
   "smiles": "CC(C)(C(NC=C(C=O)CO)C(=O)O)S(=O)O",
   "targets": [
    "UNP:P0AD64"
   ]
  },
  {
   "line": 13888,
   "comp_id": "EU2",
   "ikey_connectivity": "GIZKBEAJKWOWLS",
   "smiles": "O=C1NCc2ccc(-c3nc(NC4CCOCC4)ncc3Cl)cc21",
   "targets": [
    "UNP:P28482"
   ]
  },
  {
   "line": 22803,
   "comp_id": "S77",
   "ikey_connectivity": "AJIAMIPUWJQSPR",
   "smiles": "Cn1cnnc1C1CCN(c2ncccc2-c2ccc(F)nc2)CC1",
   "targets": [
    "UNP:Q16769"
   ]
  },
  {
   "line": 27463,
   "comp_id": "ZG2",
   "ikey_connectivity": "XOLUUYCIKUMYDW",
   "smiles": "CCn1ncc2c(NC3CCOCC3)c(-c3nc(CC(=O)N4CCCC4)c(Cc4ccccc4)o3)cnc21",
   "targets": [
    "UNP:Q07343"
   ]
  },
  {
   "line": 22425,
   "comp_id": "RNA",
   "ikey_connectivity": "MXAPQGDBWFYKKX",
   "smiles": "Cc1ccc(S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(C)o3)S2)cc1",
   "targets": [
    "UNP:P26663"
   ]
  },
  {
   "line": 24953,
   "comp_id": "VLP",
   "ikey_connectivity": "BBNYCLAREVXOSG",
   "smiles": "CCCCCCCCCCCCCCCC(=O)OC(CO)CO",
   "targets": [
    "UNP:P50120"
   ]
  },
  {
   "line": 8218,
   "comp_id": "A1BVA",
   "ikey_connectivity": "MASQMYRALSQMDU",
   "smiles": "CC(N)C(N)C(=O)NS(=O)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:A0A1I9RH13"
   ]
  },
  {
   "line": 5364,
   "comp_id": "7XU",
   "ikey_connectivity": "AHHAKQCKRCKTEH",
   "smiles": "CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccccc5)n(C5CCCCC5)c4n3)cc2)CC1",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 16517,
   "comp_id": "IUC",
   "ikey_connectivity": "FQVUNCPEBISRLX",
   "smiles": "O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCN(c2ccccc2F)CC1",
   "targets": [
    "UNP:P24280"
   ]
  },
  {
   "line": 21852,
   "comp_id": "QUH",
   "ikey_connectivity": "SFDGKYQEVYNQBU",
   "smiles": "Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(C)C(O)C(NC(=O)CC(C)O)C3O)O2)c(=O)[nH]c1=O",
   "targets": [
    "UNP:V5RDR9"
   ]
  },
  {
   "line": 18628,
   "comp_id": "LRU",
   "ikey_connectivity": "",
   "smiles": "c1cc[n]2->[Ru]3(<-[n]4ccccc4-c2c1)(<-[n]1ccccc1-c1cccc[n]->31)<-[n-]1ccnc1",
   "targets": [
    "UNP:P00282"
   ]
  },
  {
   "line": 13117,
   "comp_id": "DRR",
   "ikey_connectivity": "LMXVYRBJYYRIPR",
   "smiles": "CCC(C)C1NC(=O)C(NC(=O)C2Cc3ccc(cc3)OCCCCC(=O)NC(C(C)C)C(=O)N2)Cc2ccc(cc2)OCCCNC1=O",
   "targets": [
    "UNP:P03369"
   ]
  },
  {
   "line": 1642,
   "comp_id": "2L4",
   "ikey_connectivity": "PUEQUELBQOQOOV",
   "smiles": "O=CC=Nc1c(NCC(O)C(O)C(O)CO)[nH]c(=O)[nH]c1=O",
   "targets": [
    "UNP:P01850",
    "UNP:P61769",
    "UNP:Q6P4G7",
    "UNP:Q95460"
   ]
  },
  {
   "line": 7668,
   "comp_id": "A1B3O",
   "ikey_connectivity": "IIOAYFHECFIEIZ",
   "smiles": "CSc1ccccc1CC(=O)N1CCCC(O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 11589,
   "comp_id": "B90",
   "ikey_connectivity": "UNPSONVHRMUXFE",
   "smiles": "Cc1ccc2[nH]ncc2c1C=Cn1cnc2c(Nc3ccc(P(C)(C)=O)cc3)ncnc21",
   "targets": [
    "UNP:P00520"
   ]
  },
  {
   "line": 19207,
   "comp_id": "MU3",
   "ikey_connectivity": "BMUGFKLSYMKHTP",
   "smiles": "O=C(Nc1nncn1C1CC1)C1CCOc2ccccc21",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 17827,
   "comp_id": "KLQ",
   "ikey_connectivity": "SOLUWJRYJLAZCX",
   "smiles": "O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1C3CCC(C3)OC1C2",
   "targets": [
    "UNP:E1ANT8",
    "UNP:O75475",
    "UNP:P12497",
    "UNP:P39476",
    "UNP:Q13362",
    "UNP:Q4QY51"
   ]
  },
  {
   "line": 10102,
   "comp_id": "A1IXE",
   "ikey_connectivity": "KUDKRWGVGOOBNR",
   "smiles": "Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCOCCC23COC3)cc1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 24520,
   "comp_id": "UZB",
   "ikey_connectivity": "QFCRIUPWCMVQHW",
   "smiles": "CC1(C)CCN(Cc2ccc(N3CC(=O)NC4(CCN(c5nc(Cl)nc6[nH]ccc56)CC4)C3)cc2)CC1",
   "targets": [
    "UNP:Q86U44",
    "UNP:Q9HCE5"
   ]
  },
  {
   "line": 16016,
   "comp_id": "I1P",
   "ikey_connectivity": "BBZUBCUIVIEBCP",
   "smiles": "CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 20898,
   "comp_id": "PF9",
   "ikey_connectivity": "AZEXWHKOMMASPA",
   "smiles": "Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1",
   "targets": [
    "UNP:Q9QYJ6",
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 19923,
   "comp_id": "NZN",
   "ikey_connectivity": "LPNCMHPJRSJOIM",
   "smiles": "CCNC(=O)CCC(=O)Nc1cc(=O)[nH]n1C1CCCCCC1",
   "targets": [
    "UNP:O91734"
   ]
  },
  {
   "line": 18989,
   "comp_id": "MD1",
   "ikey_connectivity": "IRGDLSAXQOKWLX",
   "smiles": "Nc1nc2c(c(=O)[nH]1)NC(C(S)=C(S)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C1O)C=N2",
   "targets": [
    "UNP:G8QM54",
    "UNP:G8QM55",
    "UNP:P09152",
    "UNP:P11349",
    "UNP:P11350",
    "UNP:Q5P5I0",
    "UNP:Q5P5I1",
    "UNP:Q5P5I2"
   ]
  },
  {
   "line": 10292,
   "comp_id": "A1JGA",
   "ikey_connectivity": "LHSHZBZZZUSBLE",
   "smiles": "COP(=O)(O)OP(=O)(O)OCC1OC(C#N)(c2ccc3c(N)ncnn23)C(O)C1O",
   "targets": [
    "UNP:P0DTC1"
   ]
  },
  {
   "line": 4709,
   "comp_id": "73U",
   "ikey_connectivity": "UALKFLWWOUIKBS",
   "smiles": "CNc1ccc(-c2ccc(C)c(N3CC(=O)NS3(=O)=O)c2)cc1",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 15762,
   "comp_id": "HN2",
   "ikey_connectivity": "HEBIMHSFXQMUTK",
   "smiles": "O=C(CC1CCC(O)C2C(O)C(O)CN12)c1ccccc1",
   "targets": [
    "UNP:Q24451"
   ]
  },
  {
   "line": 6004,
   "comp_id": "8UJ",
   "ikey_connectivity": "QNSNIWQIVJPNNJ",
   "smiles": "CS(=O)(=O)NCC1CC(=O)N(C2CCCC2)C1",
   "targets": [
    "UNP:O95696"
   ]
  },
  {
   "line": 1490,
   "comp_id": "2CB",
   "ikey_connectivity": "RLKMGPCSKXTKNK",
   "smiles": "Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCN(C)CC2)nc1",
   "targets": [
    "UNP:Q4Q5S8"
   ]
  },
  {
   "line": 9661,
   "comp_id": "A1IAK",
   "ikey_connectivity": "GIGLPXYZZURWTH",
   "smiles": "CCCNc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1",
   "targets": [
    "UNP:Q396C9"
   ]
  },
  {
   "line": 11765,
   "comp_id": "BJ8",
   "ikey_connectivity": "DUERTCRLQWBSRG",
   "smiles": "[S-2]([Fe]12[SH-2]3[Fe]4[SH-2]5[Fe]3[SH-2]1[Fe]5[SH-2]42)[Fe]12[SH-2]3[Fe]4[SH-2]5[Fe]3[SH-2]1[Fe]5[SH-2]42",
   "targets": [
    "UNP:A0A1N6PSF9",
    "UNP:A0A1N6PSP5",
    "UNP:A0ABX1NJB2",
    "UNP:Q3AET8",
    "UNP:Q3AET9"
   ]
  },
  {
   "line": 18263,
   "comp_id": "L7Y",
   "ikey_connectivity": "FGOXIGQZSJLIHW",
   "smiles": "O=C(c1cccc(NCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)c1)N1CCOCC1",
   "targets": [
    "UNP:A5K1A2"
   ]
  },
  {
   "line": 24146,
   "comp_id": "UFD",
   "ikey_connectivity": "XBWRTBUYSVKILQ",
   "smiles": "Nc1cc(C(CCNC23CCC(c4ccccc4)(CC2)CC3)c2ccccc2)c2nn[nH]c2n1",
   "targets": [
    "UNP:P05164"
   ]
  },
  {
   "line": 20352,
   "comp_id": "OLP",
   "ikey_connectivity": "XZEFMZCNXDQXOZ",
   "smiles": "CC(C)n1cnc2c(=Nc3cccc(Cl)c3)nc(NCCO)[nH]c21",
   "targets": [
    "UNP:Q9HCP0"
   ]
  },
  {
   "line": 12826,
   "comp_id": "D8E",
   "ikey_connectivity": "NMKVYCKPYPCEGS",
   "smiles": "Cc1cc(C(=O)NC2CCCCN(C)C(=O)CCC(CO)NC(=O)C(Cc3ccc(F)cc3)NC2=O)no1",
   "targets": [
    "UNP:P04936"
   ]
  },
  {
   "line": 5135,
   "comp_id": "7MV",
   "ikey_connectivity": "BYYJMWFBVAZQMV",
   "smiles": "O=C(NCc1ccccc1)c1ccc2c(ccn2Cc2ccc(Cl)c(F)c2)c1",
   "targets": [
    "UNP:P37231",
    "UNP:Q9UBK2"
   ]
  },
  {
   "line": 1539,
   "comp_id": "2F1",
   "ikey_connectivity": "UILINQCNOUGMOK",
   "smiles": "C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Br)cc2)c1",
   "targets": [
    "UNP:Q0P9J4"
   ]
  },
  {
   "line": 26272,
   "comp_id": "XN0",
   "ikey_connectivity": "XDICDWFRDRDUMQ",
   "smiles": "COC(=O)C1c2cc3c(c(O)c2C(OC2OC(C)C(O)C(C)(O)C2OC)CC1(C)O)C(=O)c1c(O)cccc1C3=O",
   "targets": [
    "UNP:Q9RN64"
   ]
  },
  {
   "line": 734,
   "comp_id": "18O",
   "ikey_connectivity": "GUSXRMQWONZMDY",
   "smiles": "O=[N+]([O-])c1ccc(C=NNC(=S)NC2OC(CO)C(O)C(O)C2O)cc1",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 25685,
   "comp_id": "WSL",
   "ikey_connectivity": "VPYZGXYQYYTKOV",
   "smiles": "NC(CO)Cn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1",
   "targets": [
    "UNP:P09960"
   ]
  },
  {
   "line": 5769,
   "comp_id": "8IT",
   "ikey_connectivity": "LKTIRPQROJRUNF",
   "smiles": "CCC(C(=O)O)c1ccc(-c2cncnc2)c(F)c1",
   "targets": [
    "UNP:P42330"
   ]
  },
  {
   "line": 10124,
   "comp_id": "A1IYU",
   "ikey_connectivity": "QKTZRWRXURZLED",
   "smiles": "COc1ccc(C=C2SC(=Nc3ccccc3C)NC2=O)cc1O",
   "targets": [
    "UNP:P68400"
   ]
  },
  {
   "line": 4913,
   "comp_id": "7DD",
   "ikey_connectivity": "NCKAOCPROMQFJK",
   "smiles": "Nc1ncnc2c1ccn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O",
   "targets": [
    "UNP:P11021"
   ]
  },
  {
   "line": 17157,
   "comp_id": "JOG",
   "ikey_connectivity": "JCBMUSSCLKFNPY",
   "smiles": "O=C(Nc1ccccc1)N1CC(O)C2CC1CCC2O",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 23569,
   "comp_id": "THF",
   "ikey_connectivity": "IIEPLRAFVCMHQF",
   "smiles": "Nc1nc(=O)c2c([nH]1)N=CC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)N2CO",
   "targets": [
    "UNP:P75430"
   ]
  },
  {
   "line": 6280,
   "comp_id": "97B",
   "ikey_connectivity": "SEYRFEUDBMZPCH",
   "smiles": "CN1CCN(C(=O)c2ccc(Nc3ncc4c(n3)-c3ccc(Cl)cc3C(c3c(F)cccc3F)=NC4)cc2)CC1",
   "targets": [
    "UNP:O14965"
   ]
  },
  {
   "line": 14458,
   "comp_id": "FPF",
   "ikey_connectivity": "DXHJZCKJWKWTCH",
   "smiles": "CC(C)=CCCC(C)=CCCC(C)=C(F)COP(=O)(O)OP(=O)(O)O",
   "targets": [
    "UNP:A0A2P2GK84",
    "UNP:Q40577",
    "UNP:Q55012",
    "UNP:Q9UR08"
   ]
  },
  {
   "line": 11930,
   "comp_id": "BSP",
   "ikey_connectivity": "OHTXTCNTQJFRIG",
   "smiles": "O=C1OC(c2ccc(O)c(S(=O)(=O)[O-])c2)(c2ccc(O)c(S(=O)(=O)[O-])c2)c2c(Br)c(Br)c(Br)c(Br)c21",
   "targets": [
    "UNP:P09211"
   ]
  },
  {
   "line": 18186,
   "comp_id": "L45",
   "ikey_connectivity": "RFIBRDFTONIULJ",
   "smiles": "CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c3c2CCCCC3=O)c1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 13498,
   "comp_id": "EA6",
   "ikey_connectivity": "LWMCHYYYRYHTJY",
   "smiles": "CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc(F)cc1Cl",
   "targets": [
    "UNP:D9N170"
   ]
  },
  {
   "line": 22392,
   "comp_id": "RLD",
   "ikey_connectivity": "URHPFANOQLIROT",
   "smiles": "Cn1ccc2cc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)ccc2c1=O",
   "targets": [
    "UNP:P15428"
   ]
  },
  {
   "line": 3079,
   "comp_id": "4UU",
   "ikey_connectivity": "LAVNRUWSPLMSNH",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC(=O)C=CC2=CCC(=O)C=C2)C(O)C1O",
   "targets": [
    "UNP:O24146"
   ]
  },
  {
   "line": 10584,
   "comp_id": "A1L0S",
   "ikey_connectivity": "OCDSWQXGIQUZCF",
   "smiles": "COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C",
   "targets": [
    "UNP:W8KE12",
    "UNP:W8KQR0"
   ]
  },
  {
   "line": 8057,
   "comp_id": "A1BOW",
   "ikey_connectivity": "DUWCUXLXYUMFLN",
   "smiles": "COc1ccccc1CC(=O)N1CC(C(N)=O)CC(F)(F)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 17226,
   "comp_id": "JRJ",
   "ikey_connectivity": "KAIWWTMLTRXFON",
   "smiles": "NCCCCn1cc(CCn2nc3c(Br)c(Br)c(Br)c(Br)c3n2)nn1",
   "targets": [
    "UNP:P68400"
   ]
  },
  {
   "line": 12217,
   "comp_id": "C9G",
   "ikey_connectivity": "KANBQBQJUNGFMT",
   "smiles": "Cn1ccc2ccc(-c3cn(-c4ccc(O)cc4)nn3)nc2c1=O",
   "targets": [
    "UNP:P14174"
   ]
  },
  {
   "line": 22328,
   "comp_id": "RIA",
   "ikey_connectivity": "BHIWBSNWEZIHHL",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1OC1OC(COP(=O)(O)O)C(O)C1O",
   "targets": [
    "UNP:Q9FW44",
    "UNP:Q9S745",
    "UNP:Q9SU72"
   ]
  },
  {
   "line": 9431,
   "comp_id": "A1H5G",
   "ikey_connectivity": "IIKPYJZUOZRTIB",
   "smiles": "CC(C)CS(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1",
   "targets": [
    "UNP:Q92772"
   ]
  },
  {
   "line": 26940,
   "comp_id": "YHL",
   "ikey_connectivity": "MKJIEFSOBYUXJB",
   "smiles": "COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2",
   "targets": [
    "UNP:A0A125NTU3",
    "UNP:Q05940",
    "UNP:Q6NT16"
   ]
  },
  {
   "line": 4124,
   "comp_id": "69I",
   "ikey_connectivity": "OTRMZOXLRJYKRS",
   "smiles": "O=P(O)(O)OCC1OC(CO)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O",
   "targets": [
    "UNP:P23677"
   ]
  },
  {
   "line": 13343,
   "comp_id": "E36",
   "ikey_connectivity": "CPDWGRXCTGPNOE",
   "smiles": "NS(=O)(=O)c1cc(C(=O)CSc2nc3cc4c(cc3[nH]2)OCCO4)ccc1Cl",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 10086,
   "comp_id": "A1IWC",
   "ikey_connectivity": "DVTXDCJEWQTSFM",
   "smiles": "CCCCCCCN(CC1CCNCC1)S(=O)(=O)CCCCn1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O",
   "targets": [
    "UNP:O43924"
   ]
  },
  {
   "line": 3824,
   "comp_id": "5VD",
   "ikey_connectivity": "ZBSRQGXAWDQXFX",
   "smiles": "COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)ccc(O)c1C3=O",
   "targets": [
    "UNP:A0A023GUL3"
   ]
  },
  {
   "line": 26121,
   "comp_id": "XFH",
   "ikey_connectivity": "JVYPSLPLMFVFFX",
   "smiles": "Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)c1",
   "targets": [
    "UNP:P29476"
   ]
  },
  {
   "line": 11171,
   "comp_id": "AJY",
   "ikey_connectivity": "AGNBDYDENXJXFC",
   "smiles": "Cc1cc2c(cc1Br)NC(=O)C2=NO",
   "targets": [
    "UNP:P0DP23",
    "UNP:Q9H2S1"
   ]
  },
  {
   "line": 21017,
   "comp_id": "PMA",
   "ikey_connectivity": "CYIDZMCFTVVTJO",
   "smiles": "O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O",
   "targets": [
    "UNP:P00761",
    "UNP:P05042"
   ]
  },
  {
   "line": 12297,
   "comp_id": "CEG",
   "ikey_connectivity": "QVVFNJUJKXWFAU",
   "smiles": "CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1",
   "targets": [
    "UNP:Q9AQS0"
   ]
  },
  {
   "line": 16963,
   "comp_id": "JED",
   "ikey_connectivity": "ZSKVLMBZFPQPHV",
   "smiles": "Cc1ccc(-c2cc(C(=O)O)c3c(-c4ccc(Br)cc4)n[nH]c3n2)cc1",
   "targets": [
    "UNP:Q06124"
   ]
  },
  {
   "line": 4806,
   "comp_id": "78A",
   "ikey_connectivity": "MERYMLLGRCNRKE",
   "smiles": "CCC(C)C(NC(=O)C1OC1C(=O)NCc1ccccc1)C(=O)N1CCCC1C(=O)O",
   "targets": [
    "UNP:P07688"
   ]
  },
  {
   "line": 19124,
   "comp_id": "MNH",
   "ikey_connectivity": "",
   "smiles": "C=CC1=C(C)c2cc3c(C)c(CCC(=O)O)c4cc5[n]6->[Mn]7(<-[n]2c1cc1c(C)c(C=C)c(cc6C(C)=C5CCC(=O)O)[n-]->71)<-[n-]34",
   "targets": [
    "UNP:O64527",
    "UNP:P05979",
    "UNP:P14779",
    "UNP:P68082",
    "UNP:P9WKH3",
    "UNP:Q8EF49",
    "UNP:Q8RBX6"
   ]
  },
  {
   "line": 5476,
   "comp_id": "82R",
   "ikey_connectivity": "BQNMOLSYHYSCMS",
   "smiles": "CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(O)C3(C)C1C2C",
   "targets": [
    "UNP:P51449",
    "UNP:Q9Y618"
   ]
  },
  {
   "line": 7269,
   "comp_id": "A1AIC",
   "ikey_connectivity": "VNUCWASRIWPIJH",
   "smiles": "COCCn1cc(-c2ccnc3c(NCc4ccc(OC(C)C)cc4)cccc23)cn1",
   "targets": [
    "UNP:A0A097BW12",
    "UNP:A0A0K1NYJ9",
    "UNP:Q68T42"
   ]
  },
  {
   "line": 3679,
   "comp_id": "5NT",
   "ikey_connectivity": "ZIWDWRULEXWPGT",
   "smiles": "Nc1nc2c(C3NC(CO)CC3O)c[nH]c2c(=O)[nH]1",
   "targets": [
    "UNP:P28720"
   ]
  },
  {
   "line": 10667,
   "comp_id": "A1L5K",
   "ikey_connectivity": "ZLHZLMOSPGACSZ",
   "smiles": "O=[N+]([O-])c1cn2c(n1)OCC(OCc1ccc(OC(F)(F)F)cc1)C2",
   "targets": [
    "UNP:P9WGS9",
    "UNP:P9WJF1"
   ]
  },
  {
   "line": 17019,
   "comp_id": "JHK",
   "ikey_connectivity": "OQOHDKVDMBADIN",
   "smiles": "CN(C)C(=O)Cn1cc(-c2ccc(-c3cncc4ccncc34)cc2)cn1",
   "targets": [
    "UNP:P24863",
    "UNP:P49336"
   ]
  },
  {
   "line": 5833,
   "comp_id": "8L8",
   "ikey_connectivity": "LCHHZYSXLCTOOA",
   "smiles": "OCC1OC(CC=Cc2ccc(-c3ccccc3)cc2)C(O)C(O)C1O",
   "targets": [
    "UNP:Q1R2J4"
   ]
  },
  {
   "line": 7701,
   "comp_id": "A1B4T",
   "ikey_connectivity": "HYQKQMFDHNHXPW",
   "smiles": "CCc1ccsc1CN1CC(C(N)=O)CCC1=O",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 10011,
   "comp_id": "A1ISG",
   "ikey_connectivity": "RAUBJNYJWUUXAZ",
   "smiles": "O=C(NC(C(=O)Nc1ncc(CN2CC(C(F)(F)F)NC2=O)s1)C1CCC(F)(F)CC1)C(F)=CC1CC1",
   "targets": [
    "UNP:Q16552"
   ]
  },
  {
   "line": 23688,
   "comp_id": "TP7",
   "ikey_connectivity": "JBJSVEVEEGOEBZ",
   "smiles": "CC(OP(=O)(O)O)C(NC(=O)CCCCCCS)C(=O)O",
   "targets": [
    "UNP:A0A1C7D1E2",
    "UNP:A0A1C7D1E3",
    "UNP:A0A1C7D1E4",
    "UNP:A0A1C7D1E5",
    "UNP:A0A1Q1NAL3",
    "UNP:A0A247D6X3",
    "UNP:A0A247D6X4",
    "UNP:A0A247D6X5",
    "UNP:A0A284VQI9",
    "UNP:A0A2D0TC97",
    "UNP:A0A2D0TC98",
    "UNP:A0A2D0TC99",
    "UNP:A0A2D0TCA6",
    "UNP:A0A2D0TCB4",
    "UNP:A0A2D0TCB9",
    "UNP:A0A2L1C9A1",
    "UNP:A0A2L1C9H0",
    "UNP:A0A2L1CAX0",
    "UNP:A0A2L1CBB0",
    "UNP:A0A2L1CBB3",
    "UNP:A0A2L1CBG2",
    "UNP:A0A6A2G3Q8",
    "UNP:A0A7J9PIK9",
    "UNP:A0A7R9N4Z1",
    "UNP:A0A7R9R6T0",
    "UNP:A0A7R9R780",
    "UNP:A0A822J4Y5",
    "UNP:A0A8I3AZW4",
    "UNP:A0A8I3AZW5",
    "UNP:A0A8I3AZW6",
    "UNP:D1JBK2",
    "UNP:D1JBK3",
    "UNP:D9PXZ6",
    "UNP:G0H350",
    "UNP:G0H3B1",
    "UNP:G0H411",
    "UNP:G7WN21",
    "UNP:H7CHY1",
    "UNP:H7CHY2",
    "UNP:K4Q4L0",
    "UNP:P07955",
    "UNP:P07962",
    "UNP:P07964",
    "UNP:P11558",
    "UNP:P11560",
    "UNP:P11562",
    "UNP:P58815",
    "UNP:P58816",
    "UNP:Q5EGJ9",
    "UNP:Q8THG7",
    "UNP:Q8THG8",
    "UNP:Q8THH0",
    "UNP:Q8THH1"
   ]
  },
  {
   "line": 3370,
   "comp_id": "59B",
   "ikey_connectivity": "HWBRIQBWLONMBS",
   "smiles": "O=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCOCC1",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 13046,
   "comp_id": "DN8",
   "ikey_connectivity": "HXGCQRJRUHDKKD",
   "smiles": "O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cccc(Br)c1",
   "targets": [
    "UNP:Q9L5C8"
   ]
  },
  {
   "line": 616,
   "comp_id": "11Y",
   "ikey_connectivity": "CERSDUPIILKAJP",
   "smiles": "O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(C(=O)O)c2)C1c1cc(Br)cs1)c1ccccc1",
   "targets": [
    "UNP:Q05127"
   ]
  },
  {
   "line": 19540,
   "comp_id": "NBH",
   "ikey_connectivity": "PWRYHBNVYOIZJC",
   "smiles": "CCCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1",
   "targets": [
    "UNP:P51449",
    "UNP:Q15596"
   ]
  },
  {
   "line": 12395,
   "comp_id": "CKH",
   "ikey_connectivity": "UXRKUKRXVWJFER",
   "smiles": "Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1F",
   "targets": [
    "UNP:A7MB62",
    "UNP:P61157",
    "UNP:Q148J6",
    "UNP:Q3MHR7",
    "UNP:Q3SYX9",
    "UNP:Q3T035",
    "UNP:Q58CQ2"
   ]
  },
  {
   "line": 19618,
   "comp_id": "NGB",
   "ikey_connectivity": "ISCYUJSLZREARS",
   "smiles": "O=[N+]([O-])c1ccc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc1",
   "targets": [
    "UNP:P29717"
   ]
  },
  {
   "line": 1079,
   "comp_id": "1QJ",
   "ikey_connectivity": "RKBVIYAYFDBXIL",
   "smiles": "OCc1cc(-c2c[nH]nc2-c2ccc(F)cc2)ccn1",
   "targets": [
    "UNP:P48730"
   ]
  },
  {
   "line": 23014,
   "comp_id": "SJC",
   "ikey_connectivity": "YTAKJTRHNAPYIG",
   "smiles": "C=CC(C)(C)OCC1OC(OC2C3=C(C(C)CN4CCCCC4)CC(O)C3(C)C=C3C(COC)CCC3(C)CC2O)C(O)C(O)C1O",
   "targets": [
    "UNP:P03372",
    "UNP:P31947"
   ]
  },
  {
   "line": 8623,
   "comp_id": "A1CNU",
   "ikey_connectivity": "LMXPZWQVDDSYHH",
   "smiles": "O=C(c1nc2n(n1)C(c1ccccc1)CC2F)C1CC1",
   "targets": [
    "UNP:Q13546"
   ]
  },
  {
   "line": 23872,
   "comp_id": "U12",
   "ikey_connectivity": "SNTJRGVKGCPNBK",
   "smiles": "N=C1N=NC(N)=C1N=Nc1cccc(C(F)(F)F)c1",
   "targets": [
    "UNP:P0AE18"
   ]
  },
  {
   "line": 760,
   "comp_id": "19M",
   "ikey_connectivity": "ANWDLDKKFUMOHP",
   "smiles": "Nc1nc(=O)c2ncc(C(=O)NCC(=O)NC(Cc3ccccc3)C(=O)NC(Cc3ccccc3)C(=O)O)nc2[nH]1",
   "targets": [
    "UNP:P02879"
   ]
  },
  {
   "line": 19309,
   "comp_id": "MZD",
   "ikey_connectivity": "WNJOABVUVJTUCG",
   "smiles": "CC(C)(COP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C)CCCC2(C)C1CC(O)C13CC4CC(OC4(C)C1)C23",
   "targets": [
    "UNP:A0A0A0UVH9"
   ]
  },
  {
   "line": 16020,
   "comp_id": "I1W",
   "ikey_connectivity": "ARSJHDLARMCGPB",
   "smiles": "CC(C)(C)NC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 13049,
   "comp_id": "DNI",
   "ikey_connectivity": "ASOADIZOVZTJSR",
   "smiles": "Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1",
   "targets": [
    "UNP:P22734"
   ]
  },
  {
   "line": 5267,
   "comp_id": "7T9",
   "ikey_connectivity": "QXQSUBKWSHMXDP",
   "smiles": "CC(C)S(=O)(=O)NC1Cc2ccc(-c3ccc(F)nc3)cc2C1",
   "targets": [
    "UNP:P42262"
   ]
  },
  {
   "line": 27612,
   "comp_id": "ZO5",
   "ikey_connectivity": "OROHVINEJMFCOR",
   "smiles": "O=C(NCc1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccco2)CC1",
   "targets": [
    "UNP:Q8WWQ0"
   ]
  },
  {
   "line": 12770,
   "comp_id": "D5U",
   "ikey_connectivity": "BGYZYPMQNIMFRN",
   "smiles": "COc1ccccc1C(=O)CCc1ccccc1C(=O)O",
   "targets": [
    "UNP:Q96EP0"
   ]
  },
  {
   "line": 16802,
   "comp_id": "J6L",
   "ikey_connectivity": "OBIUGMGQVQMVSK",
   "smiles": "COc1cc(OC)c(-c2coc3c4c(ccc3c2=O)OC(C)(C)C=C4)cc1OC",
   "targets": [
    "UNP:A0A8V0Z8P0",
    "UNP:P02554",
    "UNP:P63043",
    "UNP:Q2XVP4"
   ]
  },
  {
   "line": 18068,
   "comp_id": "KY0",
   "ikey_connectivity": "AIYYCYBWGZIFKY",
   "smiles": "Cc1ccncc1NC(=O)C1(c2cccc(Cl)c2)CC1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 3439,
   "comp_id": "5CC",
   "ikey_connectivity": "RFOPQFVGWFBJRC",
   "smiles": "CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(Nc2ccccc2)c1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 2793,
   "comp_id": "4DG",
   "ikey_connectivity": "KUOAJOVOKFATQE",
   "smiles": "Nc1nc2c(ncn2COCCOP(=O)(O)O)c(=O)[nH]1",
   "targets": [
    "UNP:Q9NV35"
   ]
  },
  {
   "line": 15772,
   "comp_id": "HNR",
   "ikey_connectivity": "BDLSZMGNNJOQJF",
   "smiles": "CCCCn1c(N)c(N(C)S(=O)(=O)c2ccccc2)c(=O)[nH]c1=O",
   "targets": [
    "UNP:Q9HU22"
   ]
  },
  {
   "line": 11905,
   "comp_id": "BR1",
   "ikey_connectivity": "LMYCIAKTMGFSLZ",
   "smiles": "OC(CCCCCCc1ccccc1)c1ncc(-c2ccc(CBr)cn2)o1",
   "targets": [
    "UNP:P97612"
   ]
  },
  {
   "line": 4363,
   "comp_id": "6LP",
   "ikey_connectivity": "OGZKVNUWPYUXNL",
   "smiles": "NCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1",
   "targets": [
    "UNP:Q9BJF5"
   ]
  },
  {
   "line": 22534,
   "comp_id": "RT8",
   "ikey_connectivity": "ICFUCABJWQGTGU",
   "smiles": "CC1CCC(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)CC1",
   "targets": [
    "UNP:P9WPP1"
   ]
  },
  {
   "line": 27086,
   "comp_id": "YMW",
   "ikey_connectivity": "HTOSXLRRHMIOAU",
   "smiles": "CCn1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(Cl)ccc21",
   "targets": [
    "UNP:P31153"
   ]
  },
  {
   "line": 17951,
   "comp_id": "KSG",
   "ikey_connectivity": "PVTHJAPFENJVNC",
   "smiles": "CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(=O)O",
   "targets": [
    "UNP:P02358",
    "UNP:P0A707",
    "UNP:P0A7R9",
    "UNP:P0A7S3",
    "UNP:P0A7T3",
    "UNP:P0A7T7",
    "UNP:P0A7U7",
    "UNP:P0A7V8",
    "UNP:P0A7W1",
    "UNP:P0A7W7",
    "UNP:P0ADZ4",
    "UNP:P0AG63",
    "UNP:P68679",
    "UNP:P69222"
   ]
  },
  {
   "line": 4574,
   "comp_id": "6WW",
   "ikey_connectivity": "IDPMXHQQTVPBJQ",
   "smiles": "CN(c1ccccc1)C1CCC2C3CCc4cc(O)ccc4C3CCC21C",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 9468,
   "comp_id": "A1H7U",
   "ikey_connectivity": "PSPZXGLIXLRMAD",
   "smiles": "COc1cc(C(C(=O)N2CCCCC2C(=O)OCc2cnn(C)c2C)C2CCCCC2)cc(OC)c1OC",
   "targets": [
    "UNP:Q13451"
   ]
  },
  {
   "line": 10547,
   "comp_id": "A1JZT",
   "ikey_connectivity": "JJBPSUVHWRZQMQ",
   "smiles": "CCCCc1cn(Cc2ccc(Oc3ccc(C=O)cc3)c(O)c2)nn1",
   "targets": [
    "UNP:P9WGR1"
   ]
  },
  {
   "line": 20585,
   "comp_id": "OY3",
   "ikey_connectivity": "QODYJTOPURJJAH",
   "smiles": "CC1=C([O-])C(=C[NH+]=C(Cc2cccc(Br)c2)C(=O)O)C(COP(=O)(O)O)=CN1",
   "targets": [
    "UNP:P31013"
   ]
  },
  {
   "line": 10647,
   "comp_id": "A1L4C",
   "ikey_connectivity": "WDBAIPMUEUJXOZ",
   "smiles": "CCn1cc(-c2ccnc(Nc3ccc(N4CCN(C5COC5)CC4)cc3)n2)c(-c2cccnc2)n1",
   "targets": [
    "UNP:Q04771"
   ]
  },
  {
   "line": 22978,
   "comp_id": "SH5",
   "ikey_connectivity": "UBTOIYSSWKLJCN",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC(=O)CCCCCCCBr)C(O)C1O",
   "targets": [
    "UNP:Q830N7"
   ]
  },
  {
   "line": 12716,
   "comp_id": "D3A",
   "ikey_connectivity": "MSSQOQPKGAMUSY",
   "smiles": "COc1cccc(C2OC(CC(=O)N3CCC(CC(=O)O)CC3)c3cccn3-c3ccc(Cl)cc32)c1OC",
   "targets": [
    "UNP:P37268"
   ]
  },
  {
   "line": 3709,
   "comp_id": "5P7",
   "ikey_connectivity": "CXHFBVLYDOBWST",
   "smiles": "OCC1CC(Nc2ncnc3ccccc23)C(O)C1O",
   "targets": [
    "UNP:P0DMV8",
    "UNP:P11142",
    "UNP:Q99933"
   ]
  },
  {
   "line": 3374,
   "comp_id": "59F",
   "ikey_connectivity": "XXVXTCZUKVAJAU",
   "smiles": "CCN1CCN(C(=O)NC(C(=O)NC(C=O)C2NC(C(=O)O)C(C)CS2)c2ccc(O)cc2)C(=O)C1=O",
   "targets": [
    "UNP:Q51504"
   ]
  },
  {
   "line": 23559,
   "comp_id": "TGQ",
   "ikey_connectivity": "ZHKQAQKGVKBJPP",
   "smiles": "CN(CC1CNc2[nH]c(N)nc(=O)c2N1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1",
   "targets": [
    "UNP:P07607"
   ]
  },
  {
   "line": 21451,
   "comp_id": "QBH",
   "ikey_connectivity": "JYNDAPHZRSRSGI",
   "smiles": "CCCN1C(=O)OCC1Cc1cc(CC2CS(=O)(=O)CC(NCc3cccc(C(C)C)c3)C2O)ccc1O",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 22841,
   "comp_id": "S8Y",
   "ikey_connectivity": "MTAQSNRDDITUHH",
   "smiles": "CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)NC(C(=O)NC(C)(C)C)c1ccccc1",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 20459,
   "comp_id": "ORH",
   "ikey_connectivity": "HKAVWQNLXOMWLR",
   "smiles": "N#Cc1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(CCCN2CCCCC2)c1=O",
   "targets": [
    "UNP:P43235"
   ]
  },
  {
   "line": 20505,
   "comp_id": "OTM",
   "ikey_connectivity": "YGQQLNQKNAXOKN",
   "smiles": "O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)NC(Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[nH]2)cc1",
   "targets": [
    "UNP:P03951"
   ]
  },
  {
   "line": 2885,
   "comp_id": "4IQ",
   "ikey_connectivity": "RGMYFIVOQGMVRR",
   "smiles": "Cc1ccc(CN2CCS(=O)(=O)N(CCc3ccc(S(N)(=O)=O)cc3)C2)cc1",
   "targets": [
    "UNP:P43166"
   ]
  },
  {
   "line": 3395,
   "comp_id": "5A3",
   "ikey_connectivity": "IZNCMXVIYGYGJI",
   "smiles": "O=P(O)(O)CP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O",
   "targets": [
    "UNP:O43314",
    "UNP:O95989"
   ]
  },
  {
   "line": 15131,
   "comp_id": "GNK",
   "ikey_connectivity": "UHYXSJKYMROJDA",
   "smiles": "O=C1CC2CCC(C1)N2CCc1ccc(Cl)cc1",
   "targets": [
    "UNP:O53623"
   ]
  },
  {
   "line": 13533,
   "comp_id": "EBR",
   "ikey_connectivity": "DXNWHWZTDLTPAE",
   "smiles": "CC1=C(O)C(=CN=CCc2ccc(O)cc2)C(COP(=O)(O)O)=CN1",
   "targets": [
    "UNP:Q60358"
   ]
  },
  {
   "line": 25339,
   "comp_id": "WAK",
   "ikey_connectivity": "HEVBCYZPXGZFGS",
   "smiles": "O=C1NC(NC23CC4CC(CC(C4)C2)C3)=NC1=Cc1ccc2ncsc2c1",
   "targets": [
    "UNP:P68400"
   ]
  },
  {
   "line": 13288,
   "comp_id": "E0N",
   "ikey_connectivity": "CURRXVCCZQBGQB",
   "smiles": "CN1c2ccc(Cl)cc2CC1C(=O)NC(C(=O)O)C1CCCCC1",
   "targets": [
    "UNP:Q84HF5"
   ]
  },
  {
   "line": 11208,
   "comp_id": "AMY",
   "ikey_connectivity": "ZVYMCLIDNNTNCL",
   "smiles": "CCCCCC1C(=O)OC(C)C(NC(=O)c2cccc(NC=O)c2O)C(=O)OC(C)C1OC(=O)CC(C)C",
   "targets": [
    "UNP:O66458",
    "UNP:O66459",
    "UNP:O66460"
   ]
  },
  {
   "line": 27564,
   "comp_id": "ZLC",
   "ikey_connectivity": "FSJIDIRPKORUPE",
   "smiles": "Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)o1",
   "targets": [
    "UNP:Q8WWQ0"
   ]
  },
  {
   "line": 6983,
   "comp_id": "A1A3F",
   "ikey_connectivity": "KMIIYZIQKGGZIB",
   "smiles": "CNCc1cc(C#N)cc(-c2cc(C)cc(N)n2)c1",
   "targets": [
    "UNP:P29474"
   ]
  },
  {
   "line": 13607,
   "comp_id": "EFA",
   "ikey_connectivity": "QQEYBKXSSQIJRJ",
   "smiles": "C#Cc1nc(N)c2ncn(C3OC(CF)C(O)C3O)c2n1",
   "targets": [
    "UNP:Q70GK9"
   ]
  },
  {
   "line": 573,
   "comp_id": "105",
   "ikey_connectivity": "LSXNXXCBOPILJR",
   "smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)NCB(O)O",
   "targets": [
    "UNP:P00811",
    "UNP:P62593"
   ]
  },
  {
   "line": 17471,
   "comp_id": "K3I",
   "ikey_connectivity": "JKQXZKUSFCKOGQ",
   "smiles": "CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C",
   "targets": [
    "UNP:A0A977XLG0",
    "UNP:W8VZ92"
   ]
  },
  {
   "line": 11006,
   "comp_id": "A8D",
   "ikey_connectivity": "DXGOZIMONBKDBI",
   "smiles": "COc1ccc2[nH]c(C(=O)NS(C)(=O)=O)cc2c1",
   "targets": [
    "UNP:P9WIL5"
   ]
  },
  {
   "line": 13334,
   "comp_id": "E2N",
   "ikey_connectivity": "ZOSMQYUVHWSYCZ",
   "smiles": "Cn1nc(O)c(C(=O)O)c1COc1cccc(C(F)(F)F)c1",
   "targets": [
    "UNP:Q08210"
   ]
  },
  {
   "line": 14525,
   "comp_id": "FT8",
   "ikey_connectivity": "LVRLSYPNFFBYCZ",
   "smiles": "O=C(NC1CCSC2CCCC(C(=O)O)N2C1=O)C(S)Cc1ccccc1",
   "targets": [
    "UNP:P08473",
    "UNP:P12821"
   ]
  },
  {
   "line": 14850,
   "comp_id": "G8Y",
   "ikey_connectivity": "OXWBLBDJUUJFFV",
   "smiles": "Oc1ccc2c(c1)OC(c1ccc(OCCN3CC(CF)C3)cc1)C1=C2CCOc2cc(O)ccc21",
   "targets": [
    "UNP:P03372"
   ]
  },
  {
   "line": 23534,
   "comp_id": "TF5",
   "ikey_connectivity": "AGXPXFPIOHNDAN",
   "smiles": "OCCOc1ccccc1-c1ccc(F)c(F)c1F",
   "targets": [
    "UNP:P25774"
   ]
  },
  {
   "line": 245,
   "comp_id": "0H5",
   "ikey_connectivity": "BXVGMIRCZUTGFD",
   "smiles": "COc1ccc2ncnc(Nc3ccn(C)n3)c2c1",
   "targets": [
    "UNP:P35557"
   ]
  },
  {
   "line": 10635,
   "comp_id": "A1L3N",
   "ikey_connectivity": "IWUCUJZMKDHLOF",
   "smiles": "Cc1n[nH]c2c1C(c1cc(C#CCCCO)cc(CO)c1)(C(C)C)C(C#N)=C(N)O2",
   "targets": [
    "UNP:A0A133CK16"
   ]
  },
  {
   "line": 5148,
   "comp_id": "7NU",
   "ikey_connectivity": "BGULDTQQEDQGRU",
   "smiles": "OC1C(Oc2ccccc2)OC(C2CO2)C(O)C1O",
   "targets": [
    "UNP:Q05097"
   ]
  },
  {
   "line": 11897,
   "comp_id": "BQQ",
   "ikey_connectivity": "CTUFUQNJXFRTNL",
   "smiles": "CC(=O)c1nc(NC(=O)C2CNCCN2)sc1-c1cncc(N)c1",
   "targets": [
    "UNP:Q6PL18"
   ]
  },
  {
   "line": 8529,
   "comp_id": "A1CJ5",
   "ikey_connectivity": "ISYNGVNWWXQOBD",
   "smiles": "O=C(O)CC(NC(=O)c1ncnc2[nH]ccc12)c1cccc(F)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 16316,
   "comp_id": "IJC",
   "ikey_connectivity": "RIUXZHMCCFLRBI",
   "smiles": "COc1cc(Cl)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1",
   "targets": [
    "UNP:G9I933"
   ]
  },
  {
   "line": 8324,
   "comp_id": "A1C21",
   "ikey_connectivity": "PAUKHVCHLHGUBL",
   "smiles": "O=C(O)CCC(=O)NCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1",
   "targets": [
    "UNP:P0AEQ3"
   ]
  },
  {
   "line": 7854,
   "comp_id": "A1BCU",
   "ikey_connectivity": "URJZIQLTPCJVMW",
   "smiles": "O=C1COC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C1O",
   "targets": [
    "UNP:O60701"
   ]
  },
  {
   "line": 1991,
   "comp_id": "34N",
   "ikey_connectivity": "OXJGQTIVCHEXQS",
   "smiles": "CS(=O)(=O)c1ccc(C(CCNC(=O)c2ccc(C#N)cc2)c2ccc(F)cc2)cc1",
   "targets": [
    "UNP:P34913"
   ]
  },
  {
   "line": 2640,
   "comp_id": "44M",
   "ikey_connectivity": "ADVDUOWDPHQFNE",
   "smiles": "[N-]=[N+]=NC1C(O)C(CNS(=O)(=O)NC(=O)CCCCC2SCC3NC(=O)NC32)OC1n1cnc2c(N)ncnc21",
   "targets": [
    "UNP:I6YFP0"
   ]
  },
  {
   "line": 13013,
   "comp_id": "DKZ",
   "ikey_connectivity": "AGFREDUIXIMAKC",
   "smiles": "Nc1ccn(C2OC(CO)C(O)C(F)C2O)c(=O)n1",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 4894,
   "comp_id": "7CI",
   "ikey_connectivity": "SKDKFLFSBDYEDO",
   "smiles": "N#Cc1cn(C2OC(CO)C(O)C2O)c2nc[nH]c(=O)c12",
   "targets": [
    "UNP:Q4DSV5"
   ]
  },
  {
   "line": 10949,
   "comp_id": "A58",
   "ikey_connectivity": "MEDLHZCDTXWLOC",
   "smiles": "CC1CCC(NCc2ccc3c(c2)Cc2c(-c4ccc(C(=O)O)cc4)n[nH]c2-3)CC1",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 7804,
   "comp_id": "A1B9W",
   "ikey_connectivity": "FHYIZIPPSUZZSB",
   "smiles": "Nc1ncnc2c1ncn2C1OC(CSCCCNCc2cccc(-c3ccc(Cl)cc3)c2)C(O)C1O",
   "targets": [
    "UNP:Q86X55"
   ]
  },
  {
   "line": 21701,
   "comp_id": "QN7",
   "ikey_connectivity": "RECVUKARQVUVBY",
   "smiles": "COc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)N4CC(F)(F)CN=C43)c2)c1F",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 16155,
   "comp_id": "I9Q",
   "ikey_connectivity": "TVGDFUTTWNAYMD",
   "smiles": "O=C(O)CCNS(=O)(=O)c1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O",
   "targets": [
    "UNP:P30613"
   ]
  },
  {
   "line": 20447,
   "comp_id": "OQZ",
   "ikey_connectivity": "RAMUDOPEEQUPEA",
   "smiles": "NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccc(Cl)s1",
   "targets": [
    "UNP:P00734",
    "UNP:P09945"
   ]
  },
  {
   "line": 24885,
   "comp_id": "VI9",
   "ikey_connectivity": "JKQLCIPECSRXPD",
   "smiles": "Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C(F)(F)F)no2)c1C1CC1",
   "targets": [
    "UNP:P07148"
   ]
  },
  {
   "line": 16345,
   "comp_id": "IKH",
   "ikey_connectivity": "DJYHFAKYAJKFJK",
   "smiles": "Cc1nc2ccc(C#Cc3nc(-c4ccccc4)cn3C)nn2c1CO",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 2600,
   "comp_id": "436",
   "ikey_connectivity": "PKWRMUKBEYJEIX",
   "smiles": "CCC(NC(=O)C(C)NC)C(=O)N1CC(O)CC1Cc1c(-c2[nH]c3cc(F)ccc3c2CC2CC(O)CN2C(=O)C(CC)NC(=O)C(C)NC)[nH]c2cc(F)ccc12",
   "targets": [
    "UNP:Q13490"
   ]
  },
  {
   "line": 24974,
   "comp_id": "VMM",
   "ikey_connectivity": "TVYRNFNEBLNAMJ",
   "smiles": "CNC(=NO)C1c2c(cnn2C)C(NOS(=O)(=O)O)CN1C(=O)O",
   "targets": [
    "UNP:G3XD46"
   ]
  },
  {
   "line": 17109,
   "comp_id": "JLW",
   "ikey_connectivity": "MAYXLCLBDVEYAL",
   "smiles": "Cc1ccc(C(NC2=NS(=O)(=O)N=C2Nc2ccc(C)c(C(=O)N(C)C)c2O)C(C)(C)C)o1",
   "targets": [
    "UNP:P32248",
    "UNP:P62576"
   ]
  },
  {
   "line": 19414,
   "comp_id": "N4Z",
   "ikey_connectivity": "QJIMSJUUARCROQ",
   "smiles": "COc1nc(Nc2cc(S(C)(=O)=O)ccc2NC(c2cccc3c2OC(F)(F)O3)c2ncccc2Cl)nc(N2CCNCC2)n1",
   "targets": [
    "UNP:Q8TEK3"
   ]
  },
  {
   "line": 24624,
   "comp_id": "V4Y",
   "ikey_connectivity": "YWEAUSOYABUBID",
   "smiles": "Nc1cccc(CCCNCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1",
   "targets": [
    "UNP:O34453"
   ]
  },
  {
   "line": 6768,
   "comp_id": "9UO",
   "ikey_connectivity": "QCZAWDGAVJMPTA",
   "smiles": "CC(Nc1nc(NC(C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F",
   "targets": [
    "UNP:O75874",
    "UNP:P48735"
   ]
  },
  {
   "line": 12488,
   "comp_id": "CPS",
   "ikey_connectivity": "UMCMPZBLKLEWAF",
   "smiles": "CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C",
   "targets": [
    "UNP:A0A3P1UCA6",
    "UNP:A8EVM5",
    "UNP:B2FR92",
    "UNP:G5AQS2",
    "UNP:O00482",
    "UNP:O14786",
    "UNP:O15240",
    "UNP:O31663",
    "UNP:O66874",
    "UNP:P02945",
    "UNP:P03666",
    "UNP:P04150",
    "UNP:P06702",
    "UNP:P08463",
    "UNP:P0A7H3",
    "UNP:P0AEJ4",
    "UNP:P0AEX9",
    "UNP:P0AGE0",
    "UNP:P10635",
    "UNP:P11441",
    "UNP:P23946",
    "UNP:P28845",
    "UNP:P46379",
    "UNP:P61570",
    "UNP:Q00780",
    "UNP:Q03692",
    "UNP:Q06830",
    "UNP:Q09128",
    "UNP:Q14116",
    "UNP:Q14534",
    "UNP:Q15596",
    "UNP:Q8I6V3",
    "UNP:Q93VD3",
    "UNP:Q96P20",
    "UNP:Q9LUJ3",
    "UNP:Q9X0Z6"
   ]
  },
  {
   "line": 1469,
   "comp_id": "2B4",
   "ikey_connectivity": "GZMFZHIPGZSUHI",
   "smiles": "O=C(O)C(Oc1ccc(Br)cc1)C(=O)O",
   "targets": [
    "UNP:P04642"
   ]
  },
  {
   "line": 2568,
   "comp_id": "41G",
   "ikey_connectivity": "CAIXDPVMXFUQOZ",
   "smiles": "Cn1c[n+](CC(=O)c2ccc(O)c(C(=O)O)c2)c2nc(N)[nH]c(=O)c21",
   "targets": [
    "UNP:Q2LG68"
   ]
  },
  {
   "line": 2818,
   "comp_id": "4EP",
   "ikey_connectivity": "SOTMROXSYBGQBW",
   "smiles": "CCCc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 13587,
   "comp_id": "EEF",
   "ikey_connectivity": "KGICPKKIUBLFER",
   "smiles": "NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1",
   "targets": [
    "UNP:P39900"
   ]
  },
  {
   "line": 18536,
   "comp_id": "LMB",
   "ikey_connectivity": "GCBBLAVMGONVHO",
   "smiles": "CCC(C=CC(O)C(C)CCC(=O)O)=CC(C)CC=CC(C)=CC(C)C(=O)C(C)C(O)C(C)CC(C)=CC(=O)O",
   "targets": [
    "UNP:P30822",
    "UNP:P41920",
    "UNP:P62826"
   ]
  },
  {
   "line": 14494,
   "comp_id": "FR6",
   "ikey_connectivity": "OODDZQQDDOVCFD",
   "smiles": "CC(O)C(CCc1cccc2ccccc12)n1cnc(C(N)=O)c1",
   "targets": [
    "UNP:P56658"
   ]
  },
  {
   "line": 5993,
   "comp_id": "8TW",
   "ikey_connectivity": "CYWQDVFNRSXKKZ",
   "smiles": "O=C(O)C1C=[SH]C2C1C(O)(O)C2(Cl)Cl",
   "targets": [
    "UNP:Q8G9Q0"
   ]
  },
  {
   "line": 16086,
   "comp_id": "I5W",
   "ikey_connectivity": "ZVBMBUNLXBSQPU",
   "smiles": "Cc1ccc(-c2ccccc2)cc1-c1cc(C=CC(=O)O)ccc1O",
   "targets": [
    "UNP:P19793",
    "UNP:Q15596"
   ]
  },
  {
   "line": 432,
   "comp_id": "0RR",
   "ikey_connectivity": "YESAJFJEXWEXAO",
   "smiles": "O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccc(Cl)cc32)SC1=S",
   "targets": [
    "UNP:I6L8L7"
   ]
  },
  {
   "line": 12182,
   "comp_id": "C7Y",
   "ikey_connectivity": "GUERACYCGKAFOU",
   "smiles": "CC(Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2n1",
   "targets": [
    "UNP:Q13153"
   ]
  },
  {
   "line": 8559,
   "comp_id": "A1CK5",
   "ikey_connectivity": "QIYLQVBXFUXWOQ",
   "smiles": "Cc1cc(C)cc(OC(=O)c2cc(F)c(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)nc2Cl)c1",
   "targets": [
    "UNP:Q16531",
    "UNP:Q8TEB1",
    "UNP:Q9NVP1"
   ]
  },
  {
   "line": 9339,
   "comp_id": "A1H0C",
   "ikey_connectivity": "OKFVCWAYHJMQFA",
   "smiles": "O=C(COc1cccc2ccccc12)Nc1cc(Cl)ccc1C(=O)O",
   "targets": [
    "UNP:Q8TD43"
   ]
  },
  {
   "line": 23060,
   "comp_id": "SLK",
   "ikey_connectivity": "BQFHTVUWPJXLOW",
   "smiles": "Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c(C2(C)COC(C)(C(F)(F)F)C(N)=N2)c1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 18657,
   "comp_id": "LT6",
   "ikey_connectivity": "XFQXPLKWVDQXAD",
   "smiles": "CCCCN(C)C(=O)c1c(F)cccc1OCC(=O)NC(CO)Cc1ccccc1",
   "targets": [
    "UNP:O92972"
   ]
  },
  {
   "line": 8513,
   "comp_id": "A1CI5",
   "ikey_connectivity": "KWCCWLKDJYAVCR",
   "smiles": "O=C(O)c1[nH]c(-c2ccccc2Oc2ccccc2)cc(=O)c1O",
   "targets": [
    "UNP:C3W5S0"
   ]
  },
  {
   "line": 22106,
   "comp_id": "R6V",
   "ikey_connectivity": "RGIJZWRVCBSGJV",
   "smiles": "N#CCC(C1CCCC1)n1cc(-c2nc(Nc3ccc(C4CCNCC4)cc3)nc3[nH]ccc23)cn1",
   "targets": [
    "UNP:O60674"
   ]
  },
  {
   "line": 20244,
   "comp_id": "OF9",
   "ikey_connectivity": "QXLYQUMSFSBBGE",
   "smiles": "O=C(NCc1ccccn1)C(O)C(Cc1ccccc1)NC(=O)C1CC(F)(F)CN1C(=O)C1CCC(F)(F)CC1",
   "targets": [
    "UNP:A0A2P1G738",
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 3045,
   "comp_id": "4T5",
   "ikey_connectivity": "TUBDCTXNBUJRCI",
   "smiles": "NC1CCC(CNc2nccc(Nc3cc(C4CC4)n[nH]3)n2)CC1",
   "targets": [
    "UNP:Q13153"
   ]
  },
  {
   "line": 15780,
   "comp_id": "HO6",
   "ikey_connectivity": "PNOGJHWZHLJICV",
   "smiles": "Cc1ccc(Sc2snnc2C(=O)O)cc1",
   "targets": [
    "UNP:Q07523"
   ]
  },
  {
   "line": 2442,
   "comp_id": "3UT",
   "ikey_connectivity": "JAZOCUNZCUBRJX",
   "smiles": "NC1=NC2(CO1)c1cc(-c3cccnc3F)ccc1Oc1c2cc(C2=CCCOC2)nc1F",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 12370,
   "comp_id": "CJ7",
   "ikey_connectivity": "PJAMRTSMBXZGCY",
   "smiles": "Cn1c2ccc(F)cc2c2nnc(SCCN3CCCCC3)nc21",
   "targets": [
    "UNP:P9WFK7"
   ]
  },
  {
   "line": 13183,
   "comp_id": "DVO",
   "ikey_connectivity": "VWVJRXADTDRXRW",
   "smiles": "CC1(N2C(=O)c3ccc(C(=O)O)cc3C2=O)CCC(=O)NC1=O",
   "targets": [
    "UNP:Q96S44",
    "UNP:Q9Y3C4"
   ]
  },
  {
   "line": 12082,
   "comp_id": "C2F",
   "ikey_connectivity": "ZNOVTXRBGFNYRX",
   "smiles": "CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1",
   "targets": [
    "UNP:A0AAD1KUU5",
    "UNP:A3DHS7",
    "UNP:B8FW00",
    "UNP:G2IQS8",
    "UNP:O50008",
    "UNP:P07607",
    "UNP:P0A6T9",
    "UNP:P0AEZ1",
    "UNP:P0CI79",
    "UNP:P13255",
    "UNP:P27248",
    "UNP:P41440",
    "UNP:P82610",
    "UNP:P9WFR9",
    "UNP:Q3ACR9",
    "UNP:Q46389",
    "UNP:Q5SKM5",
    "UNP:Q9WYA5",
    "UNP:Q9X112"
   ]
  },
  {
   "line": 24736,
   "comp_id": "VBG",
   "ikey_connectivity": "QJQIXZIPDHUXKU",
   "smiles": "CC(=O)N1CCN(C(=O)N2CCC(c3ccc(C(OCc4c(F)cccc4C#N)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1",
   "targets": [
    "UNP:P51449"
   ]
  },
  {
   "line": 10352,
   "comp_id": "A1JIR",
   "ikey_connectivity": "DGILDOSYEMCBPD",
   "smiles": "COC1C(SC(C(=O)N(C)c2ccccn2)C2(O)CCC(F)(F)CC2)OC(CO)C(O)C1n1cc(-c2cc(F)c(F)c(F)c2)nn1",
   "targets": [
    "UNP:P17931"
   ]
  },
  {
   "line": 27509,
   "comp_id": "ZIO",
   "ikey_connectivity": "RZPAKFUAFGMUPI",
   "smiles": "COC1CC(OC2C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1O",
   "targets": [
    "UNP:Q3HTL7",
    "UNP:Q47396"
   ]
  },
  {
   "line": 21048,
   "comp_id": "PNT",
   "ikey_connectivity": "XDRYMKDFEDOLFX",
   "smiles": "N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1",
   "targets": [
    "UNP:P00760",
    "UNP:P02638",
    "UNP:P19801",
    "UNP:Q6ZXT3"
   ]
  },
  {
   "line": 11544,
   "comp_id": "B6F",
   "ikey_connectivity": "",
   "smiles": "O=C(CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)NCCCCCC(=O)[C-]12->[Fe]3456789([C]%10=[C]3[C-]4[C]5=[C]%106)[C](=[C]17)[C]8=[C]29",
   "targets": [
    "UNP:P02701"
   ]
  },
  {
   "line": 6733,
   "comp_id": "9T1",
   "ikey_connectivity": "CNGWPEUTMWFBNW",
   "smiles": "CC(=O)NC1C(=O)C(F)C(C(=O)O)OC1C(O)C(C)O",
   "targets": [
    "UNP:P03472"
   ]
  },
  {
   "line": 2170,
   "comp_id": "3FP",
   "ikey_connectivity": "OSCWQKTUILTARV",
   "smiles": "CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(C(F)(F)F)ccc3F)ncn2)cc1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 8287,
   "comp_id": "A1BZC",
   "ikey_connectivity": "HWUCNNDBMZNEHC",
   "smiles": "O=C(C1CC1)n1ccc2c(-c3cnco3)cc(C(F)(F)F)cc21",
   "targets": [
    "UNP:Q9Y6A2"
   ]
  },
  {
   "line": 2717,
   "comp_id": "48T",
   "ikey_connectivity": "JIZFTRGOFNRYSA",
   "smiles": "NC(CCC(=O)NC(CSCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCC(=O)O)C(=O)O",
   "targets": [
    "UNP:O14684"
   ]
  },
  {
   "line": 21871,
   "comp_id": "QVM",
   "ikey_connectivity": "BCNPTKKIVMTZFO",
   "smiles": "CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=O",
   "targets": [
    "UNP:A0A128A3G4"
   ]
  },
  {
   "line": 7585,
   "comp_id": "A1B0M",
   "ikey_connectivity": "DAWUTQBEWBJPFI",
   "smiles": "COC(=O)C(NC(=O)NCC(=O)NC1CCCCNC(=O)C=CC(Cc2c[nH]c3ccccc23)NC1=O)C(C)C",
   "targets": [
    "UNP:A5U4D5",
    "UNP:A5U4D6"
   ]
  },
  {
   "line": 19854,
   "comp_id": "NUT",
   "ikey_connectivity": "BDUHCSBCVGXTJM",
   "smiles": "COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1",
   "targets": [
    "UNP:O15151",
    "UNP:P56273",
    "UNP:Q00987"
   ]
  },
  {
   "line": 5960,
   "comp_id": "8RI",
   "ikey_connectivity": "QWQSTUJMJIXJJS",
   "smiles": "CN(C)C(CNC(=O)C=Cc1cccc2ccccc12)Cc1ccc(O)cc1",
   "targets": [
    "UNP:P42866",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096"
   ]
  },
  {
   "line": 5457,
   "comp_id": "81V",
   "ikey_connectivity": "QNQLYOFTAZBSGC",
   "smiles": "CC(O)(C(F)F)C(NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO",
   "targets": [
    "UNP:O67648"
   ]
  },
  {
   "line": 98,
   "comp_id": "076",
   "ikey_connectivity": "ZYLARFCKPNSSDA",
   "smiles": "CC(C)C(NC(=O)COc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)C1OC1Cc1ccccc1",
   "targets": [
    "UNP:P03367"
   ]
  },
  {
   "line": 13774,
   "comp_id": "EO3",
   "ikey_connectivity": "UKMSUNONTOPOIO",
   "smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)O",
   "targets": [
    "UNP:P05413",
    "UNP:Q3L887"
   ]
  },
  {
   "line": 653,
   "comp_id": "145",
   "ikey_connectivity": "KUWPCJHYPSUOFW",
   "smiles": "O=[N+]([O-])c1ccccc1OC1OC(CO)C(O)C(O)C1O",
   "targets": [
    "UNP:P00722",
    "UNP:Q1RBS0"
   ]
  },
  {
   "line": 24669,
   "comp_id": "V7E",
   "ikey_connectivity": "PDXMFTWFFKBFIN",
   "smiles": "Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(COP(=O)(O)OC2C1O)OC(n1cnc2c(N)ncnc21)C3O",
   "targets": [
    "UNP:Q86WV6"
   ]
  },
  {
   "line": 22752,
   "comp_id": "S4N",
   "ikey_connectivity": "FPYULJCYPOLXGV",
   "smiles": "CC1CN(c2cnc(Nc3cc(F)c(OCC4CC4)c(F)c3)nc2NC2CCOCC2)CCN1",
   "targets": [
    "UNP:Q12866"
   ]
  },
  {
   "line": 22505,
   "comp_id": "RRC",
   "ikey_connectivity": "BTIHMVBBUGXLCJ",
   "smiles": "CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1",
   "targets": [
    "UNP:P24941",
    "UNP:P30274",
    "UNP:Q00535",
    "UNP:Q15078"
   ]
  },
  {
   "line": 21557,
   "comp_id": "QGW",
   "ikey_connectivity": "NVGMNXGIQPMJSN",
   "smiles": "CCCc1cc2c(=O)c(-c3nc(C)cs3)c(C)oc2cc1OC(C)=O",
   "targets": [
    "UNP:P0ABE7",
    "UNP:P29274"
   ]
  },
  {
   "line": 12637,
   "comp_id": "CZH",
   "ikey_connectivity": "HOSWCJDTHOAORT",
   "smiles": "O=C1N2C=C(c3ccc(O)cc3)N=C(Cc3ccccc3)C2=NC1(Cc1ccc(O)cc1)OO",
   "targets": [
    "UNP:D7PM14",
    "UNP:P02592",
    "UNP:P39047",
    "UNP:Q27709"
   ]
  },
  {
   "line": 22842,
   "comp_id": "S8Z",
   "ikey_connectivity": "DOQWIXXNZSOWDD",
   "smiles": "COCC#Cc1cccc(C2(c3ccc(OC(F)F)cc3)N=C(N)N3CC(F)(F)CN=C32)c1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 19954,
   "comp_id": "O1H",
   "ikey_connectivity": "WHTYOOSKWPNGMT",
   "smiles": "N#Cc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1",
   "targets": [
    "UNP:P21589"
   ]
  },
  {
   "line": 7875,
   "comp_id": "A1BEL",
   "ikey_connectivity": "GITYEDNQATVLCR",
   "smiles": "Cc1ccc(OCC2CCCN2C)cc1C(=O)NC(C)c1cc(-c2cnn(C)c2)nc2ccccc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 19891,
   "comp_id": "NX4",
   "ikey_connectivity": "HBYORZQNJPQOQI",
   "smiles": "COc1ccc(S(=O)(=O)NC(=O)c2sccc2SCc2ccc(Cl)c(Cl)c2)cc1C(=O)O",
   "targets": [
    "UNP:P23470"
   ]
  },
  {
   "line": 20729,
   "comp_id": "P51",
   "ikey_connectivity": "QHQZDNCRBPFORJ",
   "smiles": "CCN(CC)C1CCN(Cc2cc(C#CCOc3ccccc3)cc(I)c2O)CC1",
   "targets": [
    "UNP:P04637"
   ]
  },
  {
   "line": 13335,
   "comp_id": "E2Q",
   "ikey_connectivity": "UQNAFPHGVPVTAL",
   "smiles": "NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1[nH]c(=O)c(=O)[nH]c12",
   "targets": [
    "UNP:A0A286ZS63",
    "UNP:I3L8N9",
    "UNP:P19490",
    "UNP:P19491",
    "UNP:P19493",
    "UNP:Q5BJU5",
    "UNP:Q71RJ2",
    "UNP:Q8VHW5"
   ]
  },
  {
   "line": 18664,
   "comp_id": "LTJ",
   "ikey_connectivity": "BCSXUDNOTSZTNK",
   "smiles": "CC=CC(=O)NC1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1",
   "targets": [
    "UNP:P51813",
    "UNP:Q06187"
   ]
  },
  {
   "line": 17616,
   "comp_id": "KAO",
   "ikey_connectivity": "JMQOIKOCLOMDPW",
   "smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3cccnc3)cc2)cc1",
   "targets": [
    "UNP:Q05397"
   ]
  },
  {
   "line": 2106,
   "comp_id": "3BM",
   "ikey_connectivity": "FCADPEDUULETPK",
   "smiles": "O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl",
   "targets": [
    "UNP:Q02750"
   ]
  },
  {
   "line": 23583,
   "comp_id": "TIF",
   "ikey_connectivity": "DQTHQWDHVZBQHX",
   "smiles": "CC(C)CC(NS(=O)(=O)Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccc(C(=N)N)cc1",
   "targets": [
    "UNP:P00734",
    "UNP:P09945"
   ]
  },
  {
   "line": 12289,
   "comp_id": "CDY",
   "ikey_connectivity": "FNLILOONPKMGST",
   "smiles": "Nc1nc(Cl)nc2c1ncn2C1CCC(CO)O1",
   "targets": [
    "UNP:P41148"
   ]
  },
  {
   "line": 14084,
   "comp_id": "F4S",
   "ikey_connectivity": "FXHJTUMEFMHSLG",
   "smiles": "[Fe]1[SH-2]2[Fe][SH-2]3[Fe][SH-2]1[Fe]23",
   "targets": [
    "UNP:D5VU97",
    "UNP:D5VU98",
    "UNP:F2Z6J5",
    "UNP:F2Z6J6",
    "UNP:P0ACD8",
    "UNP:P31891",
    "UNP:P31892",
    "UNP:P69739",
    "UNP:Q9F8A8"
   ]
  },
  {
   "line": 12027,
   "comp_id": "BZ4",
   "ikey_connectivity": "ZSCMZNFJKJBCQT",
   "smiles": "NC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)C(=O)c2coc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3coc(CCl)n3)n2)n1",
   "targets": [
    "UNP:P22629"
   ]
  },
  {
   "line": 13215,
   "comp_id": "DWX",
   "ikey_connectivity": "ZCKGWOBAJNWRNC",
   "smiles": "O=C1N=C(N2CCN(Cc3cccc(B(O)O)c3)CC2)SC1=Cc1ccc(Cl)c(Cl)c1",
   "targets": [
    "UNP:Q9R1E6"
   ]
  },
  {
   "line": 25053,
   "comp_id": "VRV",
   "ikey_connectivity": "SVSYJTYGPLVUOZ",
   "smiles": "N#Cc1c(-c2ccccc2)cc(-c2cc(Br)ccc2O)[nH]c1=O",
   "targets": [
    "UNP:P11309"
   ]
  },
  {
   "line": 20539,
   "comp_id": "OVI",
   "ikey_connectivity": "JPMGFORVJWNXAQ",
   "smiles": "CCNC(=O)Cc1ccc(Nc2nc(-c3c(F)cccc3F)nc3c2C(=O)N=C3)cc1",
   "targets": [
    "UNP:P29597"
   ]
  },
  {
   "line": 13849,
   "comp_id": "ERR",
   "ikey_connectivity": "GASKYSVUBZWPCV",
   "smiles": "COc1cc(-c2ccnc3cc(-c4ccc5c(ccn5C)c4)nn23)cc(OC)c1OC",
   "targets": [
    "UNP:A0A8D1UIR5",
    "UNP:A0A8V0Z8P0",
    "UNP:P63042",
    "UNP:Q2XVP4"
   ]
  },
  {
   "line": 9824,
   "comp_id": "A1IK8",
   "ikey_connectivity": "GUJRHTGNXZSKIK",
   "smiles": "NC1CCC(N2CCCCCN3C(=NS(=O)(=O)c4cnc(NC5CCNC5)c(c4)C2=O)Sc2c(Cl)ccc(O)c23)CC1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 11969,
   "comp_id": "BW1",
   "ikey_connectivity": "HXYMFZXSIIYFTR",
   "smiles": "Nc1ccc2c(NCc3cc(CC4CC4)co3)nc(-c3ccccc3)nc2c1",
   "targets": [
    "UNP:Q16539"
   ]
  },
  {
   "line": 12155,
   "comp_id": "C6Q",
   "ikey_connectivity": "OIUCZFOCUKYLRK",
   "smiles": "CCCCCCCCCCCCCCC(O)C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCc1ccccc1",
   "targets": [
    "UNP:P01887",
    "UNP:P11609"
   ]
  },
  {
   "line": 16241,
   "comp_id": "IF1",
   "ikey_connectivity": "NXIZEOJYEPCEAL",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(C=NC2CC(C(=O)O)CC2C(=C(F)F)C(F)(F)F)c1O",
   "targets": [
    "UNP:P04181"
   ]
  },
  {
   "line": 25698,
   "comp_id": "WTA",
   "ikey_connectivity": "MXYRBUKSSSUFQO",
   "smiles": "CCOP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:A4I093",
    "UNP:J3KJC6",
    "UNP:J9VFT1",
    "UNP:Q5ZZ84"
   ]
  },
  {
   "line": 12216,
   "comp_id": "C9F",
   "ikey_connectivity": "HSUGRBWQSSZJOP",
   "smiles": "COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1",
   "targets": [
    "UNP:O15245",
    "UNP:P07293",
    "UNP:P13806",
    "UNP:P19517",
    "UNP:P19518"
   ]
  },
  {
   "line": 6629,
   "comp_id": "9O5",
   "ikey_connectivity": "KBMFFRCBXRMQHN",
   "smiles": "CC(=O)CCc1cccc(-c2nc(NCCc3ccccc3)c3ccc(N)cc3n2)c1",
   "targets": [
    "UNP:Q16539"
   ]
  },
  {
   "line": 7014,
   "comp_id": "A1A55",
   "ikey_connectivity": "HBWCYQWGCNBURO",
   "smiles": "CCNC(=O)Nc1cccc2c1[nH]c1ncnc(NN3C(=O)CCC3(C)C)c12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 6873,
   "comp_id": "9ZZ",
   "ikey_connectivity": "LAINPTZBIXYTIZ",
   "smiles": "O=C(O)c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12",
   "targets": [
    "UNP:P30043"
   ]
  },
  {
   "line": 25074,
   "comp_id": "VT1",
   "ikey_connectivity": "IDUYJRXRDSPPRC",
   "smiles": "OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1",
   "targets": [
    "UNP:A6ZSR0",
    "UNP:L8GJB3",
    "UNP:P10613"
   ]
  },
  {
   "line": 23648,
   "comp_id": "TMC",
   "ikey_connectivity": "NOWRLNPOENZFHP",
   "smiles": "Cc1cn(C2CC(O)C3(CO)CC23)c(=O)[nH]c1=O",
   "targets": [
    "UNP:P0DTH5"
   ]
  },
  {
   "line": 5410,
   "comp_id": "7ZM",
   "ikey_connectivity": "XRMPIZHDSBHDCD",
   "smiles": "Nc1ccc(NC(=O)c2cnn(-c3ccccc3)c2O)cn1",
   "targets": [
    "UNP:P08709"
   ]
  },
  {
   "line": 2511,
   "comp_id": "3YF",
   "ikey_connectivity": "UNSSSMUKJOLMJV",
   "smiles": "Nc1nc2[nH]c(CCCc3csc(C(=O)NC(CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1",
   "targets": [
    "UNP:P22102"
   ]
  },
  {
   "line": 1212,
   "comp_id": "1WO",
   "ikey_connectivity": "FNNZMRSRVYUVQT",
   "smiles": "CC(C)C1=CC2=CC(=O)C3C(C)(C)CCCC3(C)C2=C(O)C1=O",
   "targets": [
    "UNP:P14324"
   ]
  },
  {
   "line": 3531,
   "comp_id": "5GN",
   "ikey_connectivity": "YKVBPTQPNLFGIG",
   "smiles": "Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Br)cc34)s2)n1",
   "targets": [
    "UNP:Q8IXJ6"
   ]
  },
  {
   "line": 10346,
   "comp_id": "A1JIL",
   "ikey_connectivity": "QPPRMYTVPRKSIL",
   "smiles": "CCN(C)C(=O)C(SC1OC(CO)C(O)C(n2cc(-c3cc(F)c(F)c(F)c3)nn2)C1O)C(C)(C)O",
   "targets": [
    "UNP:P17931"
   ]
  },
  {
   "line": 9863,
   "comp_id": "A1ILX",
   "ikey_connectivity": "PNLMIXVXXGBETG",
   "smiles": "CCC(=O)N(c1ccc(OC2CCC(NC(=O)NC3CCS(=O)(=O)C3)C2)c(Cl)c1)C(C)c1ccc(Cl)cc1",
   "targets": [
    "UNP:Q16548"
   ]
  },
  {
   "line": 17365,
   "comp_id": "JY5",
   "ikey_connectivity": "AVGMEYBYAVAZNQ",
   "smiles": "Nc1ncnc2c1nc(C#CCO)n2C1CCCCO1",
   "targets": [
    "UNP:Q8Y8D7"
   ]
  },
  {
   "line": 23905,
   "comp_id": "U32",
   "ikey_connectivity": "LPQUJAANWFHCJV",
   "smiles": "CC(C)c1cnc(Nc2ccc(S(N)(=O)=O)cc2)s1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 22070,
   "comp_id": "R58",
   "ikey_connectivity": "GGCSQMNZKHRBJW",
   "smiles": "CCOc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1",
   "targets": [
    "UNP:P9WJF1"
   ]
  },
  {
   "line": 19459,
   "comp_id": "N72",
   "ikey_connectivity": "PUFNBARRTADWAC",
   "smiles": "O=C(O)CCC(NCC(=O)C(O)C(O)C(O)CO)C(=O)O",
   "targets": [
    "UNP:O50271",
    "UNP:Q44384"
   ]
  },
  {
   "line": 19354,
   "comp_id": "N1G",
   "ikey_connectivity": "QVLVNOAMAMUIJM",
   "smiles": "O=C(Nc1nnn[nH]1)c1cc(-c2ccccc2)n(-c2ccccc2)n1",
   "targets": [
    "UNP:C7C422",
    "UNP:Q9F663"
   ]
  },
  {
   "line": 13992,
   "comp_id": "EZV",
   "ikey_connectivity": "LPSCCOBGZSKECZ",
   "smiles": "CN1CCN(c2cccc3nc(-c4n[nH]c5cc(-c6ccc(N)cc6)ccc45)[nH]c23)CC1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 298,
   "comp_id": "0K0",
   "ikey_connectivity": "UCJDFWBCXROCMH",
   "smiles": "CS(=O)(=O)Nc1cccc(-c2cnc(N)c(C(=O)NCC3CCNCC3)n2)c1",
   "targets": [
    "UNP:P43405"
   ]
  },
  {
   "line": 7101,
   "comp_id": "A1A9Z",
   "ikey_connectivity": "KEMVPXFZWONPAH",
   "smiles": "Cc1ccc(CC(CO)Nc2ncnc3[nH]ccc23)cc1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 16111,
   "comp_id": "I76",
   "ikey_connectivity": "MGARWHQGMCYTAL",
   "smiles": "CC(C)n1nc(-c2ccc3cc(OCc4cccc(Cl)c4)ccc3c2)c2c(N)ncnc21",
   "targets": [
    "UNP:Q9BJF5"
   ]
  },
  {
   "line": 4866,
   "comp_id": "7B2",
   "ikey_connectivity": "NGGFPHTYSIHBDE",
   "smiles": "Cc1c(C=O)c(-c2nnc3c4c(C[n+]5cc6c(C)n(C)c(C)c6c(Cl)n5)n(C)c(C)c4cnn23)c(C)n1C",
   "targets": [
    "UNP:P11838"
   ]
  },
  {
   "line": 1745,
   "comp_id": "2RQ",
   "ikey_connectivity": "RGWJYCCSHANDCO",
   "smiles": "COc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 7331,
   "comp_id": "A1ALG",
   "ikey_connectivity": "MVIPPYQQIRTMRC",
   "smiles": "COc1ccc(-c2ccc(C(=O)NC(CC(C)C)C(=O)NC(C=N)CC3CCNC3=O)cc2)cc1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 2285,
   "comp_id": "3LT",
   "ikey_connectivity": "BSOQXXWZTUDTEL",
   "smiles": "CC(=O)NC1C(O)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(N)=O",
   "targets": [
    "UNP:A0A0H3JT72"
   ]
  },
  {
   "line": 20116,
   "comp_id": "O8J",
   "ikey_connectivity": "JOOMGSFOCRDAHL",
   "smiles": "CC1=CC(O)CC(=O)Cc2nc(co2)C(=O)N2CCCC2C(=O)OC(C(C)C)C(C)C=CC(=O)NCC=C1",
   "targets": [
    "UNP:P02413",
    "UNP:P0AA10",
    "UNP:P60422",
    "UNP:P60438",
    "UNP:P60723"
   ]
  },
  {
   "line": 26072,
   "comp_id": "XCF",
   "ikey_connectivity": "HWJPWWYTGBZDEG",
   "smiles": "COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)OC(C1CC1)C=C2",
   "targets": [
    "UNP:P0A017"
   ]
  },
  {
   "line": 21779,
   "comp_id": "QR1",
   "ikey_connectivity": "WOVPMRKEMBIWOY",
   "smiles": "[NH3+]C1(C(=O)O)CC2C[NH2+]CC2C1CCC[B-](O)(O)O",
   "targets": [
    "UNP:P05089"
   ]
  },
  {
   "line": 12653,
   "comp_id": "D08",
   "ikey_connectivity": "VUQABPCUWUTWEU",
   "smiles": "COc1ccc(C2=NOC(CC(=O)N(CCO)CCO)C2)cc1OC1CCCC1",
   "targets": [
    "UNP:Q08499"
   ]
  },
  {
   "line": 21658,
   "comp_id": "QL7",
   "ikey_connectivity": "AUYCSWFYKYVCLD",
   "smiles": "CC(C)(O)C(F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O",
   "targets": [
    "UNP:Q9NWZ3"
   ]
  },
  {
   "line": 22375,
   "comp_id": "RKJ",
   "ikey_connectivity": "BZPBUUKNGNRKPU",
   "smiles": "CCN1CC2CC3c4onc(C)c4C(O)C2(C1)N3C",
   "targets": [
    "UNP:Q6PL18"
   ]
  },
  {
   "line": 6666,
   "comp_id": "9PQ",
   "ikey_connectivity": "QFHPEAOPPKNNMS",
   "smiles": "O=C(NCCN1CCOCC1)c1ccc(-c2c(CO)ccc3ccccc23)cc1",
   "targets": [
    "UNP:O60760"
   ]
  },
  {
   "line": 20078,
   "comp_id": "O6Z",
   "ikey_connectivity": "OPXDHLZGQKADDC",
   "smiles": "CCCCS(=O)(=O)Nc1ccc2[nH]ncc2c1",
   "targets": [
    "UNP:P9WQD9"
   ]
  },
  {
   "line": 21491,
   "comp_id": "QDT",
   "ikey_connectivity": "LUUUHUYQTLUIDG",
   "smiles": "COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OCC(C)C)CC3)nc12",
   "targets": [
    "UNP:Q08499"
   ]
  },
  {
   "line": 14281,
   "comp_id": "FG9",
   "ikey_connectivity": "LRBZZLHCFITOFC",
   "smiles": "Nc1c2ccncc2cc2cnc(NCCCN3CCOCC3)nc12",
   "targets": [
    "UNP:P49759"
   ]
  },
  {
   "line": 15975,
   "comp_id": "HZY",
   "ikey_connectivity": "NINGXBBUHSHWQA",
   "smiles": "COc1cc(C[n+]2ccc3cc(OS(N)(=O)=O)ccc3c2)cc(OC)c1OC",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 8407,
   "comp_id": "A1CAJ",
   "ikey_connectivity": "SLAPWWFZEIEUPQ",
   "smiles": "COc1ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc2ccccc2)NC(=O)OC2CCCC23CCOC(c2ccccc2OC)C3)cc1",
   "targets": [
    "UNP:Q7SSI0"
   ]
  },
  {
   "line": 2002,
   "comp_id": "35B",
   "ikey_connectivity": "PXYOQUGPJYIRGZ",
   "smiles": "CNC(=O)N(c1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)c1)C1CCCCC1",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 27768,
   "comp_id": "ZY1",
   "ikey_connectivity": "MNGUVHPNHVMEDL",
   "smiles": "CCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)CNCc4cccc(OC)c4)cc13)N(C)S(=O)(=O)CC2",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 19955,
   "comp_id": "O1I",
   "ikey_connectivity": "YUJIYWCEKJSKBQ",
   "smiles": "Cc1ccncc1NC(=O)C(CO)c1cccc(Cl)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 11801,
   "comp_id": "BL4",
   "ikey_connectivity": "NJBBBRZNBVLTRZ",
   "smiles": "Cc1cccc2c1C(=O)C1(O)CCN(c3ccccc3)C1=N2",
   "targets": [
    "UNP:P08799"
   ]
  },
  {
   "line": 25243,
   "comp_id": "W5N",
   "ikey_connectivity": "HIVGAXHLTXHXTO",
   "smiles": "COC1C(OC(=O)NC2CCC(N)CC2)CCC(C)(O)C1C1(C)OC1CC=C(C)C",
   "targets": [
    "UNP:P50579"
   ]
  },
  {
   "line": 14453,
   "comp_id": "FOW",
   "ikey_connectivity": "AVFIHINZEZRGBL",
   "smiles": "O=c1[nH]cnc2c(-n3cc(CCN4CCC5(CCc6ccccc65)CC4)cn3)nccc12",
   "targets": [
    "UNP:O75164"
   ]
  },
  {
   "line": 16600,
   "comp_id": "IXQ",
   "ikey_connectivity": "SSZBLNIVOGDOJH",
   "smiles": "CN(c1ncccc1CNc1ccnc(-c2nc3cc(F)c(Cl)cc3[nH]2)n1)S(C)(=O)=O",
   "targets": [
    "UNP:P78362"
   ]
  },
  {
   "line": 14117,
   "comp_id": "F6G",
   "ikey_connectivity": "YEGZZVDXUFGWTE",
   "smiles": "NC1=NCN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N1",
   "targets": [
    "UNP:Q9Y3Z3"
   ]
  },
  {
   "line": 25203,
   "comp_id": "W2D",
   "ikey_connectivity": "ZQQVJQOAKZOWGL",
   "smiles": "Nc1nc2c3ccc(S(N)(=O)=O)cc3nc(Cc3ccc4c(c3)OCO4)n2n1",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 24853,
   "comp_id": "VGZ",
   "ikey_connectivity": "JJUACWJXQYGXEQ",
   "smiles": "COc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 1355,
   "comp_id": "24L",
   "ikey_connectivity": "AIBZQPUCRUZLOJ",
   "smiles": "COc1cc(O)c2c(c1C(=O)NCc1cc(CCCC(=O)O)cc3ccccc13)OC1=CC(O)=C(C(C)=O)C(=O)C12C",
   "targets": [
    "UNP:P37231",
    "UNP:Q15788"
   ]
  },
  {
   "line": 25794,
   "comp_id": "WY6",
   "ikey_connectivity": "CYMALXAWPAIOPB",
   "smiles": "CCC(CNc1ncnc2nc[nH]c12)NC(=O)CCc1ccccc1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 21727,
   "comp_id": "QOQ",
   "ikey_connectivity": "MSZCFMHHPOAAQM",
   "smiles": "Cc1cc(CN2CCCC(c3cc(C(F)F)nc4ncnn34)C2)cc(Cl)n1",
   "targets": [
    "UNP:O00408"
   ]
  },
  {
   "line": 18974,
   "comp_id": "MBW",
   "ikey_connectivity": "XISVSTPEXYIKJL",
   "smiles": "Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C",
   "targets": [
    "UNP:P78527"
   ]
  },
  {
   "line": 23725,
   "comp_id": "TR5",
   "ikey_connectivity": "URLYINUFLXOMHP",
   "smiles": "CN1N=C(N)c2cn(C3OC(COP(=O)(O)O)C(O)C3O)c3ncnc1c23",
   "targets": [
    "UNP:O35820",
    "UNP:Q9BX68"
   ]
  },
  {
   "line": 6841,
   "comp_id": "9YF",
   "ikey_connectivity": "GRDWPDVMAXODDM",
   "smiles": "CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(C)CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O",
   "targets": [
    "UNP:A0A2U9PNL2",
    "UNP:A0A653FDI6",
    "UNP:A0QQQ1",
    "UNP:A0QVH4",
    "UNP:A0QVL2",
    "UNP:A0R049",
    "UNP:A0R050",
    "UNP:A0R051",
    "UNP:A0R052",
    "UNP:A0R056",
    "UNP:A0R057",
    "UNP:A0R0M4",
    "UNP:A0R1B5",
    "UNP:A0R1B6",
    "UNP:A0R562",
    "UNP:B1MDD0",
    "UNP:B1MDZ6",
    "UNP:B1MGY1",
    "UNP:B1MIN6",
    "UNP:B1MMU1",
    "UNP:B1MMU2",
    "UNP:B1MNZ2",
    "UNP:B1MNZ3",
    "UNP:B1MNZ7",
    "UNP:B1MNZ8",
    "UNP:B1MNZ9",
    "UNP:B1MP00",
    "UNP:I7FGS8",
    "UNP:I7FHC3",
    "UNP:I7FPH1",
    "UNP:I7FT03",
    "UNP:I7GD61",
    "UNP:P42461",
    "UNP:P9WH23",
    "UNP:P9WP35",
    "UNP:P9WP37",
    "UNP:Q79VD7",
    "UNP:Q79VE8",
    "UNP:Q79VE9",
    "UNP:Q8NMB4",
    "UNP:Q8NNK2",
    "UNP:Q8NNK3",
    "UNP:Q8NNK5",
    "UNP:Q8NP09",
    "UNP:Q8NS61",
    "UNP:Q8NSJ8",
    "UNP:Q8NTD4",
    "UNP:Q9AEL8"
   ]
  },
  {
   "line": 21244,
   "comp_id": "Q10",
   "ikey_connectivity": "USONDHXIUNXLQT",
   "smiles": "Cc1cc(N)nc(COc2cccc(OCCCN)c2)c1",
   "targets": [
    "UNP:P29476"
   ]
  },
  {
   "line": 9267,
   "comp_id": "A1ET9",
   "ikey_connectivity": "GJFPDPNMJOCHCT",
   "smiles": "CC1CC(O)CC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1",
   "targets": [
    "UNP:P03372"
   ]
  },
  {
   "line": 26422,
   "comp_id": "XUE",
   "ikey_connectivity": "IRBLNQWOWNBZLI",
   "smiles": "COCC(=O)N1CCC(c2ccc3c(c2)C(=O)N(CC(=O)N(C)Cc2ccc(C#N)c(Cl)c2)CC3)CC1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 14866,
   "comp_id": "G9M",
   "ikey_connectivity": "XEKQXWYAIADGIV",
   "smiles": "O=C(CN1CCC(N2CCCC2)CC1)Nc1ccc2[nH]c(=O)c3ccccc3c2n1",
   "targets": [
    "UNP:Q5EK40"
   ]
  },
  {
   "line": 1199,
   "comp_id": "1W2",
   "ikey_connectivity": "UKQSZNNDBLMQNX",
   "smiles": "N#Cc1cccnc1N1CCC2OC(N)=NC2(c2ccc(F)cc2F)C1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 4429,
   "comp_id": "6PN",
   "ikey_connectivity": "SXGQGHHNOWYMRT",
   "smiles": "CCCCCCc1ccc(Oc2ccccc2)c(O)c1",
   "targets": [
    "UNP:A0A0J9X1Y0"
   ]
  },
  {
   "line": 7575,
   "comp_id": "A1B0C",
   "ikey_connectivity": "LMXWXXMIEIPBAO",
   "smiles": "CCNc1nc2cc(C(N)=O)ccc2c2cnccc12",
   "targets": [
    "UNP:P68400"
   ]
  },
  {
   "line": 27485,
   "comp_id": "ZHF",
   "ikey_connectivity": "DUKKJDZKLSMCLK",
   "smiles": "CCCC(NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)N1CCc2sccc2C1",
   "targets": [
    "UNP:P61964"
   ]
  },
  {
   "line": 6205,
   "comp_id": "93S",
   "ikey_connectivity": "WVICCPHCXNAJAS",
   "smiles": "O=C(NCCCOCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1",
   "targets": [
    "UNP:P09467"
   ]
  },
  {
   "line": 26482,
   "comp_id": "XWY",
   "ikey_connectivity": "GOXNOBRASUTVOC",
   "smiles": "CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2cccc3ccccc23)n1",
   "targets": [
    "UNP:P21675"
   ]
  },
  {
   "line": 1316,
   "comp_id": "22E",
   "ikey_connectivity": "WTDCOWKJENHJKG",
   "smiles": "CC1=C2C=CNC(=O)C2C(C)=C2C1=Nc1ccc(OC(=O)c3ccccc3)cc12",
   "targets": [
    "UNP:O54874"
   ]
  },
  {
   "line": 25204,
   "comp_id": "W2E",
   "ikey_connectivity": "WBNLAUIGSCBBTF",
   "smiles": "COC(=O)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 22757,
   "comp_id": "S4W",
   "ikey_connectivity": "WPRJOLMYEVNSEK",
   "smiles": "CN(Cc1ccc2nccn2c1)c1nnc(-c2ccc(-c3ccccc3Cl)cc2)o1",
   "targets": [
    "UNP:Q12866"
   ]
  },
  {
   "line": 16724,
   "comp_id": "J2Q",
   "ikey_connectivity": "OOGOBANMDCDQFM",
   "smiles": "CCOc1cccc(C(=O)Nc2ccc(C(=N)N)cc2)c1O",
   "targets": [
    "UNP:Q92876"
   ]
  },
  {
   "line": 12075,
   "comp_id": "C1W",
   "ikey_connectivity": "WDFNHFCRBOZIRF",
   "smiles": "O=C(O)c1ccc(Nc2ncc(Cl)c(Nc3ccc(F)cc3)n2)cc1Cl",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 23161,
   "comp_id": "SSA",
   "ikey_connectivity": "HQXFJGONGJPTLZ",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COS(=O)(=O)NC(=O)C(N)CO)C(O)C1O",
   "targets": [
    "UNP:P00957",
    "UNP:P0A8L1",
    "UNP:P0A8M3",
    "UNP:P95689",
    "UNP:Q46AN5",
    "UNP:Q8PYJ6",
    "UNP:Q9HGT6",
    "UNP:Q9NP81",
    "UNP:W9BNU9"
   ]
  },
  {
   "line": 19757,
   "comp_id": "NOX",
   "ikey_connectivity": "RKJXWOJUCCBWSC",
   "smiles": "O=C(O)CCCC(=O)Nc1ccc(CC[N+]2([O-])CCCCC2)cc1",
   "targets": [
    "UNP:P01837"
   ]
  },
  {
   "line": 27521,
   "comp_id": "ZJE",
   "ikey_connectivity": "IFBUPEBQECKOCS",
   "smiles": "O=C(NCC1CCCO1)N1CCN(C(=O)c2cccs2)CC1",
   "targets": [
    "UNP:Q8WWQ0"
   ]
  },
  {
   "line": 9229,
   "comp_id": "A1EQU",
   "ikey_connectivity": "LTJSDVHRLKFWET",
   "smiles": "C=CC1CN2CCC1CC2C(O)c1c(-c2ccc(NNc3ccccc3)cc2)cnc2ccc(OC)cc12",
   "targets": [
    "UNP:Q14524"
   ]
  },
  {
   "line": 5220,
   "comp_id": "7R5",
   "ikey_connectivity": "UBZJGLCPAAWTIL",
   "smiles": "O=C(Cn1ccc2c(=O)[nH]c(N3CCOCC3)nc21)Nc1ccncc1Cl",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 805,
   "comp_id": "1C5",
   "ikey_connectivity": "MYZLOAXXVDGNMQ",
   "smiles": "CC(=O)NC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)NC(CCC(=O)O)C(=O)NC(CCC1CCCCC1)C(N)=O",
   "targets": [
    "UNP:P00524"
   ]
  },
  {
   "line": 5728,
   "comp_id": "8GQ",
   "ikey_connectivity": "SABLEOBBNNRHAD",
   "smiles": "N#Cc1cnn2c3cc(nc12)N1CC(CC1CO)OCC=CCOc1cc(cc2c1NC(=O)CC2)N3",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 2140,
   "comp_id": "3E1",
   "ikey_connectivity": "PHJCCQZHFLRCAA",
   "smiles": "CC(=O)Nc1ccc(O)c(-c2cc(NC(C)=O)ccc2O)c1",
   "targets": [
    "UNP:P14174"
   ]
  },
  {
   "line": 11774,
   "comp_id": "BJR",
   "ikey_connectivity": "PZNPLUBHRSSFHT",
   "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C",
   "targets": [
    "UNP:O43292",
    "UNP:Q92643",
    "UNP:Q969N2",
    "UNP:Q96S52",
    "UNP:Q9H490"
   ]
  },
  {
   "line": 23588,
   "comp_id": "TIT",
   "ikey_connectivity": "QXHNYZQKWOKULQ",
   "smiles": "CC(C)CC(NC(=O)C(C)NC(=O)CC(O)C(COCc1ccc(Br)cc1)NC(=O)C(NC(=O)c1ccccn1)C(C)C)C(N)=O",
   "targets": [
    "UNP:P46925"
   ]
  },
  {
   "line": 22145,
   "comp_id": "R8H",
   "ikey_connectivity": "LGWQYJCCERJRJX",
   "smiles": "O=C(NCc1ccccn1)C(O)C(Cc1ccccc1)NC(=O)C1CCC(=O)N1Cc1ccccc1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 18079,
   "comp_id": "KYI",
   "ikey_connectivity": "KRZFUPKUAGIREV",
   "smiles": "O=c1[nH]cc(-c2ccccc2-c2ccccc2)c(=O)[nH]1",
   "targets": [
    "UNP:P36639"
   ]
  },
  {
   "line": 27511,
   "comp_id": "ZIS",
   "ikey_connectivity": "HFJGRHYPTCNSKW",
   "smiles": "O=C(OCc1ccc(OCC(F)(F)F)cc1F)N1CCC2(CC1)CN(C(=O)C1CCc3[nH]nnc3C1)C2",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 24168,
   "comp_id": "UGG",
   "ikey_connectivity": "XBRJTBLYIAYTOZ",
   "smiles": "O=C(Cc1cncc2ccccc12)Nc1ccccc1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 6688,
   "comp_id": "9R0",
   "ikey_connectivity": "NNWXFKHVPXSNGU",
   "smiles": "O=C(O)c1ccc2nc(N3CCC4(CC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)C3)sc2c1",
   "targets": [
    "UNP:P19793",
    "UNP:Q15788",
    "UNP:Q96RI1"
   ]
  },
  {
   "line": 23571,
   "comp_id": "THH",
   "ikey_connectivity": "ZNOVTXRBGFNYRX",
   "smiles": "CN1c2c(O)nc(N)nc2NCC1CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1",
   "targets": [
    "UNP:B8FUR2",
    "UNP:P0ABE7",
    "UNP:P41440",
    "UNP:P9WHM5",
    "UNP:Q24SP6",
    "UNP:Q8ABD0",
    "UNP:Q99707"
   ]
  },
  {
   "line": 10037,
   "comp_id": "A1ITX",
   "ikey_connectivity": "PMPLWDDMMDSMCW",
   "smiles": "CCOc1ccc(S(=O)(=O)O)c2ccccc12",
   "targets": [
    "UNP:P54274"
   ]
  },
  {
   "line": 10658,
   "comp_id": "A1L52",
   "ikey_connectivity": "VOFUROIFQGPCGE",
   "smiles": "CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1",
   "targets": [
    "UNP:P02791"
   ]
  },
  {
   "line": 19789,
   "comp_id": "NQQ",
   "ikey_connectivity": "MSNMXJGUICGVME",
   "smiles": "Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3ccnc(Cl)c3C#N)ccc21",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 10576,
   "comp_id": "A1L0H",
   "ikey_connectivity": "GOEQSWCMWTVHGV",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COS(=O)(=O)NC(=O)CC(N)c2ccccc2Br)C(O)C1O",
   "targets": [
    "UNP:A0A0F7R6G7"
   ]
  },
  {
   "line": 20833,
   "comp_id": "PAJ",
   "ikey_connectivity": "GDPVENOGSVMRJL",
   "smiles": "CC(C)(CO)C(O)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:P9WIL5",
    "UNP:Q2FV22"
   ]
  },
  {
   "line": 3467,
   "comp_id": "5DH",
   "ikey_connectivity": "PMKMHLVHNOXPOY",
   "smiles": "N#CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 5336,
   "comp_id": "7WU",
   "ikey_connectivity": "MLBMGTVSKMSTNI",
   "smiles": "COC(=O)C1(C)OC(=O)C2C(C)(C1=O)C(C)=CC1C3(C)CCC(=O)C(C)(C)C3C(=O)C(O)C21C",
   "targets": [
    "UNP:Q0C8A2"
   ]
  },
  {
   "line": 6662,
   "comp_id": "9PK",
   "ikey_connectivity": "PCTXRGORDHBRNF",
   "smiles": "OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(n4cc(COCc5cccs5)nn4)C3O)C2O)C(O)C(O)C1O",
   "targets": [
    "UNP:Q06135"
   ]
  },
  {
   "line": 18905,
   "comp_id": "M86",
   "ikey_connectivity": "KVKPWRDMMABYRK",
   "smiles": "CCC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OCCN1CCNC1=O)S(=O)(=O)c1ccc(OC)cc1",
   "targets": [
    "UNP:Q90K99"
   ]
  },
  {
   "line": 24241,
   "comp_id": "UK8",
   "ikey_connectivity": "OPIGXBQPAXXYLU",
   "smiles": "O=C(O)c1ccc(OCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cn[nH]c2)cc1",
   "targets": [
    "UNP:P51449"
   ]
  },
  {
   "line": 16612,
   "comp_id": "IY4",
   "ikey_connectivity": "RVPKOYWAKLWTTB",
   "smiles": "C=C(NC(=O)c1csc(-c2cccnc2)n1)C(=O)NC(C)C(=O)OC",
   "targets": [
    "UNP:Q06830"
   ]
  },
  {
   "line": 9108,
   "comp_id": "A1EJD",
   "ikey_connectivity": "LGKMYXXYWOPMQI",
   "smiles": "O=c1ccn(C2OC(COP(=O)(O)O)C(OP(=O)(O)O)C2OP(=O)(O)O)c(=O)[nH]1",
   "targets": [
    "UNP:Q5JFX3"
   ]
  },
  {
   "line": 528,
   "comp_id": "0WY",
   "ikey_connectivity": "MTBBEHDSALYQRB",
   "smiles": "Nc1nc2c(CCNCC3CCCCC3)c3[nH]c(NCCc4ccccc4)nc3cc2c(=O)[nH]1",
   "targets": [
    "UNP:P28720"
   ]
  },
  {
   "line": 25818,
   "comp_id": "WZC",
   "ikey_connectivity": "AOEHUXLJSHGXHN",
   "smiles": "COc1cc2c(cc1O)CCC1C2CCC2(C)C(OS(N)(=O)=O)CCC12",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 2182,
   "comp_id": "3G9",
   "ikey_connectivity": "RCHDWCNBGCYJNK",
   "smiles": "CC(=O)c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1",
   "targets": [
    "UNP:P9WQ80"
   ]
  },
  {
   "line": 1179,
   "comp_id": "1VE",
   "ikey_connectivity": "BVOFVPANMGREFZ",
   "smiles": "Nc1nonc1C(=O)c1cccc(OCc2nc3ccccc3[nH]2)c1",
   "targets": [
    "UNP:Q96PN6"
   ]
  },
  {
   "line": 25481,
   "comp_id": "WHH",
   "ikey_connectivity": "YNHGVYGMFAREOF",
   "smiles": "COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1",
   "targets": [
    "UNP:P45452"
   ]
  },
  {
   "line": 14875,
   "comp_id": "G9Z",
   "ikey_connectivity": "WYIHPABVKQQJFB",
   "smiles": "O=C(O)C1C=CC(=O)N1CC(O)C(O)C(O)C(O)CO",
   "targets": [
    "UNP:A0ABF7PG02",
    "UNP:O50260"
   ]
  },
  {
   "line": 4948,
   "comp_id": "7ES",
   "ikey_connectivity": "KKTKAMKVBQSPOV",
   "smiles": "Oc1ccc(-c2ccsc2-c2ccc(O)cc2F)c(F)c1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 8200,
   "comp_id": "A1BUF",
   "ikey_connectivity": "HSYNPKNGWVSVIB",
   "smiles": "Cc1cc(N)nc2cc(-c3ccc(CN)cc3O)c(F)cc12",
   "targets": [
    "UNP:P29474",
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 23434,
   "comp_id": "T8T",
   "ikey_connectivity": "IOCRYHATDKHWPM",
   "smiles": "Nc1nc(=O)c2ncn(C3CC(O)C(COP(=O)(S)OP(=O)(O)OP(=O)(O)O)O3)c2[nH]1",
   "targets": [
    "UNP:A0A628R156",
    "UNP:Q9Y3Z3"
   ]
  },
  {
   "line": 18610,
   "comp_id": "LQO",
   "ikey_connectivity": "VPPJLAIAVCUEMN",
   "smiles": "COCC(NC(C)=O)C(=O)NCc1ccccc1",
   "targets": [
    "UNP:O60939",
    "UNP:Q07699",
    "UNP:Q15858"
   ]
  },
  {
   "line": 5868,
   "comp_id": "8N6",
   "ikey_connectivity": "HYAFETHFCAUJAY",
   "smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 961,
   "comp_id": "1K2",
   "ikey_connectivity": "GICBMJSVILMECB",
   "smiles": "O=C(NC1CC1c1ccccc1)c1cc(Cl)cc(COc2cnc3[nH]ccc3c2)c1",
   "targets": [
    "UNP:Q08345"
   ]
  },
  {
   "line": 18372,
   "comp_id": "LDM",
   "ikey_connectivity": "JNGWKQJZIUZUPR",
   "smiles": "CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]",
   "targets": [
    "UNP:P02722"
   ]
  },
  {
   "line": 12860,
   "comp_id": "D9W",
   "ikey_connectivity": "HALWMQVNBCAXRZ",
   "smiles": "CC1(c2cccc(NC(=O)c3ccc(Br)cn3)c2)COCC(N)=N1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 21443,
   "comp_id": "QB5",
   "ikey_connectivity": "XBDVUPNUNZHFJB",
   "smiles": "CC(=O)Nc1ccc(C(=O)NCCc2c[nH]cn2)cc1OCc1ccccc1",
   "targets": [
    "UNP:O60885",
    "UNP:P25440"
   ]
  },
  {
   "line": 4740,
   "comp_id": "75L",
   "ikey_connectivity": "QWESHPQYRLOVFN",
   "smiles": "CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)nc1n2CCCN1Cc1nc(C)c2ccccc2n1",
   "targets": [
    "UNP:P27487"
   ]
  },
  {
   "line": 6000,
   "comp_id": "8UB",
   "ikey_connectivity": "DPAFRZPZFHBARE",
   "smiles": "O=c1[nH]c2ccccc2nc1C=Cc1cccs1",
   "targets": [
    "UNP:P11309"
   ]
  },
  {
   "line": 17902,
   "comp_id": "KQ0",
   "ikey_connectivity": "CXRMCTBDMZVPNE",
   "smiles": "COc1ccc(C2(NCc3c[nH]nc3-c3cccs3)CC2)cc1",
   "targets": [
    "UNP:Q8I4W8",
    "UNP:Q8IDR3",
    "UNP:Q8IJM4"
   ]
  },
  {
   "line": 6922,
   "comp_id": "A1A0N",
   "ikey_connectivity": "FVHSWGPRANGFSY",
   "smiles": "Cc1cc(N)nc(-c2cc(Cl)cc(CN(C)C)c2)c1",
   "targets": [
    "UNP:P29474"
   ]
  },
  {
   "line": 22464,
   "comp_id": "RPG",
   "ikey_connectivity": "BGKHCLZFGPIKKU",
   "smiles": "CCCCCC(O)C=CC1C=CC(=O)C1CCCCCCC(=O)O",
   "targets": [
    "UNP:P43354"
   ]
  },
  {
   "line": 24517,
   "comp_id": "UZ5",
   "ikey_connectivity": "GYWOVBUGFWWSJR",
   "smiles": "CNc1cc(N2CCC3(CC2)CN(c2cc(F)c(CN4CCC(C)(C)CC4)cc2F)CC(=O)N3)ncn1",
   "targets": [
    "UNP:Q86U44",
    "UNP:Q9HCE5"
   ]
  },
  {
   "line": 20189,
   "comp_id": "OBT",
   "ikey_connectivity": "IMJVXTIQVJFSBH",
   "smiles": "O=S(=O)(C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(Cl)cc1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 13501,
   "comp_id": "EAA",
   "ikey_connectivity": "AVOLMBLBETYQHX",
   "smiles": "C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl",
   "targets": [
    "UNP:P08263",
    "UNP:P09211"
   ]
  },
  {
   "line": 9139,
   "comp_id": "A1EL7",
   "ikey_connectivity": "XFFDXJGTTZQTKV",
   "smiles": "O=c1[nH]c(=O)n(C2OC(COP(=O)(O)O)C(O)C2O)c2ccsc12",
   "targets": [
    "UNP:Q9UKV8"
   ]
  },
  {
   "line": 18814,
   "comp_id": "M2Y",
   "ikey_connectivity": "FHHLLOYGUMAOOP",
   "smiles": "Cc1ccc(-c2cc3c(NC(Cc4ccccc4)P(=O)(O)O)ncnc3s2)cc1Cl",
   "targets": [
    "UNP:P14324"
   ]
  },
  {
   "line": 2316,
   "comp_id": "3O8",
   "ikey_connectivity": "NBSLQRRHRCDIHJ",
   "smiles": "Nc1ccc(NCCNCCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O",
   "targets": [
    "UNP:P11309"
   ]
  },
  {
   "line": 10082,
   "comp_id": "A1IW2",
   "ikey_connectivity": "",
   "smiles": "N#[C-]->[Fe]1(<-[C-]#[O+])(<-[C-]#[O+])[SH-]2CNC[SH-]->1[Fe]<-2(<-[C-]#[O+])<-[C-]#[O+]",
   "targets": [
    "UNP:P07598",
    "UNP:P07603"
   ]
  },
  {
   "line": 22364,
   "comp_id": "RK0",
   "ikey_connectivity": "BORZWBYDXGSJEW",
   "smiles": "CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C)c(C#N)c2)s1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 20112,
   "comp_id": "O8D",
   "ikey_connectivity": "KIBQNEPECLKTQL",
   "smiles": "C=CCC1C=CC(=O)NCC=CC(C)=CC(O)CC(=O)Cc2nc(co2)C(=O)N2CCCC2C(=O)OC1C(C)C",
   "targets": [
    "UNP:P02413",
    "UNP:P0AA10",
    "UNP:P60422",
    "UNP:P60438",
    "UNP:P60723"
   ]
  },
  {
   "line": 18156,
   "comp_id": "L2N",
   "ikey_connectivity": "AFNYOROEWXANDC",
   "smiles": "COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 4101,
   "comp_id": "68L",
   "ikey_connectivity": "ZXMNKHTXDORUCR",
   "smiles": "NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1cnc(C3=CCCOC3)cc12",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 1828,
   "comp_id": "2W1",
   "ikey_connectivity": "NQQHFVCQMJVYTB",
   "smiles": "O=C(c1ccc(Oc2ncccc2C2CCOCC2)cc1)c1nc2ccccc2[nH]1",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 22470,
   "comp_id": "RPP",
   "ikey_connectivity": "IPMOTTQXPAXTMS",
   "smiles": "Nc1ncnc2c1C(I)NN2C1OC(CO)C(O)C1O",
   "targets": [
    "UNP:Q9TVW2"
   ]
  },
  {
   "line": 7631,
   "comp_id": "A1B2K",
   "ikey_connectivity": "SRQVRMUCHBMAPS",
   "smiles": "CSc1cccc(Br)c1CC(=O)N1CCCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 24884,
   "comp_id": "VI4",
   "ikey_connectivity": "QNQXRLNOOGRQEB",
   "smiles": "CC1OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)CC(N)C1O",
   "targets": [
    "UNP:W5R4Y8"
   ]
  },
  {
   "line": 27275,
   "comp_id": "YV8",
   "ikey_connectivity": "QAHBWVAOQZLFQE",
   "smiles": "CC(c1cccc2c(-c3ccc(CS(C)(=O)=O)c(F)c3)c(C(=O)O)[nH]c12)N1CC(CCCN)OC1=O",
   "targets": [
    "UNP:Q9XAY4"
   ]
  },
  {
   "line": 15688,
   "comp_id": "HI0",
   "ikey_connectivity": "LLJSSTLCMHGPSB",
   "smiles": "CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncnc3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc23)cc1[N+](=O)[O-]",
   "targets": [
    "UNP:Q07817"
   ]
  },
  {
   "line": 24830,
   "comp_id": "VG3",
   "ikey_connectivity": "FBMGVFBNGKNQCB",
   "smiles": "CCCCCS(=O)(=O)c1cccc(C(=O)NC(Cc2ccccc2)C(O)CNC(C)C(=O)NC2CCCCC2)c1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 16211,
   "comp_id": "IDA",
   "ikey_connectivity": "OMLOGGCSARAIGZ",
   "smiles": "CCCc1cc(CC(=O)O)c2[nH]c(CC(N)=O)cc2c1",
   "targets": [
    "UNP:P59071"
   ]
  },
  {
   "line": 8361,
   "comp_id": "A1C5C",
   "ikey_connectivity": "BNMWKSWJRCFHRP",
   "smiles": "CC(C)(C)N1CCN(c2cc3c(ncn3C3CCCCO3)c(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)C1=O",
   "targets": [
    "UNP:Q16531",
    "UNP:Q92830",
    "UNP:Q96SW2"
   ]
  },
  {
   "line": 6610,
   "comp_id": "9N7",
   "ikey_connectivity": "DUGIQUVAQZHWSE",
   "smiles": "O=C(O)c1ccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(-c4nccs4)cc3)nc3cc(F)c(F)cc32)cc1",
   "targets": [
    "UNP:Q15788",
    "UNP:Q96RI1"
   ]
  },
  {
   "line": 9329,
   "comp_id": "A1EZI",
   "ikey_connectivity": "CNEFYRLODUDZLK",
   "smiles": "CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCC",
   "targets": [
    "UNP:A0A1H3JYQ0",
    "UNP:A0A1H3KVX9",
    "UNP:A0A1H3PUB4",
    "UNP:A0A1H3PUN8",
    "UNP:A0A1H3PUR7"
   ]
  },
  {
   "line": 11840,
   "comp_id": "BND",
   "ikey_connectivity": "ULZLCALWUIQOMB",
   "smiles": "COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccccc2)O1",
   "targets": [
    "UNP:Q62230"
   ]
  },
  {
   "line": 3788,
   "comp_id": "5TG",
   "ikey_connectivity": "IWVJBZLBIWIKGF",
   "smiles": "CN(Cc1ccc(N2CCC(CCC(=O)N3CCCC3)CC2)cc1)C(=O)OC(C)(C)C",
   "targets": [
    "UNP:P9WMC1"
   ]
  },
  {
   "line": 22305,
   "comp_id": "RH6",
   "ikey_connectivity": "YRIYSICZBXXPLJ",
   "smiles": "CC=Cc1cc2ccc(N(CC)CC)cc2oc1=O",
   "targets": [
    "UNP:P50120"
   ]
  },
  {
   "line": 12929,
   "comp_id": "DEY",
   "ikey_connectivity": "BPHLZVCJUQBQLM",
   "smiles": "CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OC(C)C(N)=O)cc3S(=O)(=O)N2)c1=O",
   "targets": [
    "UNP:P26663"
   ]
  },
  {
   "line": 15901,
   "comp_id": "HWE",
   "ikey_connectivity": "FTRRUFDJLIEMLS",
   "smiles": "CC(C)C1NC(=O)CC(O)C(Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O",
   "targets": [
    "UNP:P07339"
   ]
  },
  {
   "line": 18614,
   "comp_id": "LQY",
   "ikey_connectivity": "VZKJWTFPORBEEH",
   "smiles": "COc1ccc(C2=NN(C3CCCCCC3)C(=O)C3CC=CCC23)cc1-c1ccc(C(=O)NCC(N)=O)cc1",
   "targets": [
    "UNP:Q8WQX9"
   ]
  },
  {
   "line": 1036,
   "comp_id": "1O2",
   "ikey_connectivity": "JBZBYHKCRFIXBI",
   "smiles": "CCCCCCCCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC",
   "targets": [
    "UNP:P01887",
    "UNP:P11609"
   ]
  },
  {
   "line": 19341,
   "comp_id": "N0R",
   "ikey_connectivity": "WEDTXJVSLAQYOD",
   "smiles": "O=C(CO)Nc1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1",
   "targets": [
    "UNP:Q9H999"
   ]
  },
  {
   "line": 18921,
   "comp_id": "M8V",
   "ikey_connectivity": "KZSVRJBEJFDDMB",
   "smiles": "NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 3905,
   "comp_id": "5Z6",
   "ikey_connectivity": "FOUVTBKPJRMLPE",
   "smiles": "CC(C)(C)c1cc(C(=O)C=Cc2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1",
   "targets": [
    "UNP:P10276",
    "UNP:Q15788"
   ]
  },
  {
   "line": 17645,
   "comp_id": "KC6",
   "ikey_connectivity": "RTGDPYNAIULBPL",
   "smiles": "NCCNC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1",
   "targets": [
    "UNP:O75164"
   ]
  },
  {
   "line": 27562,
   "comp_id": "ZL9",
   "ikey_connectivity": "JIDGHQZPZOREIN",
   "smiles": "COc1ccccc1OCCNCCCOc1ccc2c(c1)NC(=O)CO2",
   "targets": [
    "UNP:P08908",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096"
   ]
  },
  {
   "line": 18032,
   "comp_id": "KW9",
   "ikey_connectivity": "KKIJAAYVRSUCNW",
   "smiles": "COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cc(F)ccc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 24203,
   "comp_id": "UHY",
   "ikey_connectivity": "HPKVUDPRFZVZGF",
   "smiles": "CCC(=O)N(c1ccc(C(C)C)nc1)C(C(=O)Nc1c(C)cccc1CC)c1cccnc1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 23370,
   "comp_id": "T5B",
   "ikey_connectivity": "KMMZNLFAOHLXKG",
   "smiles": "COc1ccc(CCC2OC(=O)C3CCCCN3C(=O)C(C3CCCCC3)c3cc(OC)c(OC)c(c3)OCC(O)C(O)COc3cccc2c3)cc1OC",
   "targets": [
    "UNP:Q13451"
   ]
  },
  {
   "line": 24840,
   "comp_id": "VGG",
   "ikey_connectivity": "FYCOTGCSHZKHPR",
   "smiles": "Cc1cccc(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1",
   "targets": [
    "UNP:A3FQ16"
   ]
  },
  {
   "line": 4715,
   "comp_id": "744",
   "ikey_connectivity": "RJWMDETWDDESBP",
   "smiles": "Cc1ccc(Cl)cc1NC(=O)C1CC(=O)N(C2CCCCC2)C1",
   "targets": [
    "UNP:P9WGR1"
   ]
  },
  {
   "line": 23041,
   "comp_id": "SKR",
   "ikey_connectivity": "VGNIDQRGZSBUED",
   "smiles": "COCC1CCC2C1=CC1(C)C(=C(C(C)CNC(C)=O)CC1O)C(O)C(O)C2C",
   "targets": [
    "UNP:P03372",
    "UNP:P31947"
   ]
  },
  {
   "line": 18964,
   "comp_id": "MBE",
   "ikey_connectivity": "IFBHRQDFSNCLOZ",
   "smiles": "O=[N+]([O-])c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1",
   "targets": [
    "UNP:Q8WZA1"
   ]
  },
  {
   "line": 13704,
   "comp_id": "EKF",
   "ikey_connectivity": "KCSVXFVJXLVYFS",
   "smiles": "CN(C)Cc1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cc1",
   "targets": [
    "UNP:O75530",
    "UNP:Q15910"
   ]
  },
  {
   "line": 13943,
   "comp_id": "EX7",
   "ikey_connectivity": "OTJBWWCEPHZWEI",
   "smiles": "Oc1cccc2nc(CCc3cccc(Cl)c3)[nH]c12",
   "targets": [
    "UNP:P0A6I6"
   ]
  },
  {
   "line": 2357,
   "comp_id": "3QG",
   "ikey_connectivity": "JHLUHXHQASLZGD",
   "smiles": "O=c1nc[nH]c2c1ncn2CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O",
   "targets": [
    "UNP:P9WHQ9"
   ]
  },
  {
   "line": 5230,
   "comp_id": "7RI",
   "ikey_connectivity": "LZKFBFNVDKRHMH",
   "smiles": "CNC(=O)c1n[nH]c2ccc(Br)cc12",
   "targets": [
    "UNP:Q96MU7",
    "UNP:Q9UJM8"
   ]
  },
  {
   "line": 6295,
   "comp_id": "983",
   "ikey_connectivity": "FGYZBAFIDVPVGG",
   "smiles": "CC(C)C(NS(=O)(=O)CC(Cc1ccccc1)NC(=O)OCc1ccccc1)P(=O)(O)CC(C(=O)O)c1cccc(CN)c1",
   "targets": [
    "UNP:P09955"
   ]
  },
  {
   "line": 23004,
   "comp_id": "SIO",
   "ikey_connectivity": "PJCATKAGSUTUJA",
   "smiles": "COC1(C(=O)O)CC(OC(C)=O)C(NC(C)=O)C(C(O)C(O)COC(C)=O)O1",
   "targets": [
    "UNP:D4N3K6",
    "UNP:P15776",
    "UNP:P31614"
   ]
  },
  {
   "line": 19048,
   "comp_id": "MI1",
   "ikey_connectivity": "UJLAWZDWDVHWOW",
   "smiles": "CC1CCN(C(=O)CC#N)CC1N(C)c1ncnc2[nH]ccc12",
   "targets": [
    "UNP:O60674",
    "UNP:P23458",
    "UNP:P52333",
    "UNP:Q16512"
   ]
  },
  {
   "line": 4778,
   "comp_id": "770",
   "ikey_connectivity": "JWZVNUNTFNELHL",
   "smiles": "O=CNc1ccc2[nH]c3cc(-c4ccccc4Cl)c4c(c3c2c1)C(=O)NC4=O",
   "targets": [
    "UNP:P30291"
   ]
  },
  {
   "line": 14859,
   "comp_id": "G9D",
   "ikey_connectivity": "VLZMFVRHOYPDFA",
   "smiles": "O=C1NN=C(CN2CCOCC2)c2c[nH]c3cccc1c23",
   "targets": [
    "UNP:Q5EK40"
   ]
  },
  {
   "line": 8789,
   "comp_id": "A1CZZ",
   "ikey_connectivity": "WFXKRZUINNMXEP",
   "smiles": "CNc1nccc(Nc2cc(OC(C)C)c(-c3cnn(C)c3)cn2)n1",
   "targets": [
    "UNP:A0A0U2N547"
   ]
  },
  {
   "line": 6464,
   "comp_id": "9GU",
   "ikey_connectivity": "HHQYTTYRIFYYCO",
   "smiles": "O=C(N1CCN(c2ccc(C(F)(F)F)cc2)CC1)n1ccnn1",
   "targets": [
    "UNP:Q10QA5"
   ]
  },
  {
   "line": 4492,
   "comp_id": "6ST",
   "ikey_connectivity": "CCPUFNJKOGKOOG",
   "smiles": "O=C(O)c1ccc(C2CC3C(N2)C(c2cccc(Cl)c2F)C2(C(=O)Nc4cc(Cl)ccc42)N3CC2CC2)cc1",
   "targets": [
    "UNP:Q00987"
   ]
  },
  {
   "line": 11860,
   "comp_id": "BOH",
   "ikey_connectivity": "GDTJBYZKZGXLNU",
   "smiles": "CC(=O)c1nc(NC(=O)C(C)N)sc1-c1cccc(O)c1",
   "targets": [
    "UNP:Q6PL18"
   ]
  },
  {
   "line": 19587,
   "comp_id": "NEI",
   "ikey_connectivity": "YEBHQRSEUJCFMN",
   "smiles": "CCNC(=O)C1OC(n2cnc3c(N)nc(I)nc32)C(O)C1O",
   "targets": [
    "UNP:P41148"
   ]
  },
  {
   "line": 20521,
   "comp_id": "OUG",
   "ikey_connectivity": "IYZDGTYWMCMPLR",
   "smiles": "Cc1cc(N)nc2cc(-c3cccc(CN)c3)ccc12",
   "targets": [
    "UNP:P29474",
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 19906,
   "comp_id": "NXW",
   "ikey_connectivity": "ZFBIDSCNZFTQMQ",
   "smiles": "CNCCNCC(=O)Nc1cccc(C#Cc2ccc(C(=O)O)c(SCc3ccc(Cl)c(Cl)c3)c2)c1",
   "targets": [
    "UNP:P23470"
   ]
  },
  {
   "line": 21710,
   "comp_id": "QNS",
   "ikey_connectivity": "PFKDFLVWKSDYJO",
   "smiles": "COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3Cl)CCOCC2)cc1",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 24360,
   "comp_id": "UQ2",
   "ikey_connectivity": "SQQWBSBBCSFQGC",
   "smiles": "COC1=C(OC)C(=O)C(CC=C(C)CCC=C(C)C)=C(C)C1=O",
   "targets": [
    "UNP:A5F5X0",
    "UNP:A5F5X1",
    "UNP:A5F5Y4",
    "UNP:A5F5Y5",
    "UNP:A5F5Y6",
    "UNP:A5F5Y7",
    "UNP:I2WBK2",
    "UNP:P06008",
    "UNP:P06009",
    "UNP:P06010",
    "UNP:P07014",
    "UNP:P07173",
    "UNP:P0AC41",
    "UNP:P0C0Y7",
    "UNP:P0C0Y8",
    "UNP:P0C0Y9",
    "UNP:P0C6E0",
    "UNP:P69054",
    "UNP:Q02760",
    "UNP:Q02761",
    "UNP:Q02762",
    "UNP:Q9KPS1",
    "UNP:Q9KPS2",
    "UNP:Q9X4Q6",
    "UNP:Q9X4Q7",
    "UNP:Q9X4Q8"
   ]
  },
  {
   "line": 7485,
   "comp_id": "A1AT1",
   "ikey_connectivity": "TUZHANAISKEZFG",
   "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC12OC1(C)C(=O)c1ccccc1C2=O",
   "targets": [
    "UNP:O14668",
    "UNP:P00740",
    "UNP:P00742",
    "UNP:P02818",
    "UNP:P08493",
    "UNP:P38435"
   ]
  },
  {
   "line": 18379,
   "comp_id": "LE6",
   "ikey_connectivity": "JVHXJTBJCFBINQ",
   "smiles": "CCOc1ccc(Cc2cc(C3OC(CO)C(O)C(O)C3O)ccc2Cl)cc1",
   "targets": [
    "UNP:P31639",
    "UNP:Q13113"
   ]
  },
  {
   "line": 16035,
   "comp_id": "I2K",
   "ikey_connectivity": "OIZGSVFYNBZVIK",
   "smiles": "CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)(C(=O)O)OC1C(O)C(O)CO",
   "targets": [
    "UNP:G8UIQ1"
   ]
  },
  {
   "line": 7027,
   "comp_id": "A1A60",
   "ikey_connectivity": "DRRISQDXFXMSDV",
   "smiles": "OCC(Cc1ccoc1)Nc1ncnc2[nH]ccc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 9146,
   "comp_id": "A1ELF",
   "ikey_connectivity": "SHYVRGLGJPAIBR",
   "smiles": "Cc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc4ccccc4c3)s2)c1",
   "targets": [
    "UNP:A0A0B2E3F3"
   ]
  },
  {
   "line": 18042,
   "comp_id": "KWP",
   "ikey_connectivity": "XHACMMNMQIKLAQ",
   "smiles": "O=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1CCO)c1ccncc1",
   "targets": [
    "UNP:P00519"
   ]
  },
  {
   "line": 17458,
   "comp_id": "K2U",
   "ikey_connectivity": "OBXQOECJZPGJTO",
   "smiles": "O=C(O)CC(Cc1ccccc1)C(O)SCc1ccccc1",
   "targets": [
    "UNP:A0A098SKQ8",
    "UNP:B0VNL8",
    "UNP:P68826",
    "UNP:Q5H3Z2"
   ]
  },
  {
   "line": 11059,
   "comp_id": "ABQ",
   "ikey_connectivity": "YXZBQCQAYNRRFP",
   "smiles": "CC(C)n1cc(C(=O)c2cncc(NC3COCC3c3ccc(F)cc3)n2)c2c(N)ncnc21",
   "targets": [
    "UNP:O15530"
   ]
  },
  {
   "line": 19298,
   "comp_id": "MZ1",
   "ikey_connectivity": "SQOYURLVDZJWFJ",
   "smiles": "CC(=O)NC(C)C(=O)NC(Cc1ccccc1)C(O)CN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)cc1F",
   "targets": [
    "UNP:P03369"
   ]
  },
  {
   "line": 4152,
   "comp_id": "6B4",
   "ikey_connectivity": "BWOIOAFNMATNEP",
   "smiles": "CSc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1",
   "targets": [
    "UNP:P30405"
   ]
  },
  {
   "line": 5730,
   "comp_id": "8GT",
   "ikey_connectivity": "JCHLKIQZUXYLPW",
   "smiles": "Nc1nc2c([nH]c(=O)n2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1",
   "targets": [
    "UNP:A0QUZ2",
    "UNP:C4YRY1",
    "UNP:P06746",
    "UNP:P30047",
    "UNP:P30793",
    "UNP:Q47155",
    "UNP:Q5SH52",
    "UNP:Q9NP87"
   ]
  },
  {
   "line": 18014,
   "comp_id": "KVF",
   "ikey_connectivity": "AATSBPIJUYIMKX",
   "smiles": "CCC(C(=O)Nc1cnncc1C)c1cccc(Cl)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 27318,
   "comp_id": "YXG",
   "ikey_connectivity": "FSWFYCYPTDLKON",
   "smiles": "CC1CCCC(n2cnc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cc2=O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O",
   "targets": [
    "UNP:P03951"
   ]
  },
  {
   "line": 23186,
   "comp_id": "SU1",
   "ikey_connectivity": "JNDVEAXZWJIOKB",
   "smiles": "Cc1c[nH]c(C=C2C(=O)Nc3ccccc32)c1CCC(=O)O",
   "targets": [
    "UNP:P11362"
   ]
  },
  {
   "line": 12491,
   "comp_id": "CQ5",
   "ikey_connectivity": "VJDZJAUBPMXVAF",
   "smiles": "CC(CC(=O)N1CCC(O)(Cn2cnc(NCCN3CCCC3)cc2=O)CC1)c1ccccc1",
   "targets": [
    "UNP:Q93009"
   ]
  },
  {
   "line": 9046,
   "comp_id": "A1EE4",
   "ikey_connectivity": "DGOAXBPOVUPPEB",
   "smiles": "CON(C(=O)c1cn(C)nc1C(F)F)C(C)Cc1c(Cl)cc(Cl)cc1Cl",
   "targets": [
    "UNP:P21801",
    "UNP:P33421",
    "UNP:P37298",
    "UNP:Q00711"
   ]
  },
  {
   "line": 11281,
   "comp_id": "AR5",
   "ikey_connectivity": "HSQIYOPBCOPMSS",
   "smiles": "CC(C)(C)OC(=O)NC(CCCNC(=N)N)C(=O)O",
   "targets": [
    "UNP:O14786"
   ]
  },
  {
   "line": 22863,
   "comp_id": "SA1",
   "ikey_connectivity": "YVABESCRHMBHJD",
   "smiles": "CC12OCCC1C(=O)NC2(C=O)C(O)C1C=CCCC1",
   "targets": [
    "UNP:A2D8G5",
    "UNP:A2DD57",
    "UNP:A2DTN3",
    "UNP:A2E1I9",
    "UNP:A2E7Z2",
    "UNP:A2F2T6",
    "UNP:A2F3H9",
    "UNP:A2F3X4",
    "UNP:A2F568",
    "UNP:A2F716",
    "UNP:A2F8W4",
    "UNP:A2FCM7",
    "UNP:A2FJV7",
    "UNP:A2FT79",
    "UNP:O14818",
    "UNP:P20618",
    "UNP:P21242",
    "UNP:P21243",
    "UNP:P22141",
    "UNP:P23638",
    "UNP:P23639",
    "UNP:P23724",
    "UNP:P25043",
    "UNP:P25451",
    "UNP:P25786",
    "UNP:P25787",
    "UNP:P25788",
    "UNP:P25789",
    "UNP:P28066",
    "UNP:P28070",
    "UNP:P28072",
    "UNP:P28074",
    "UNP:P30656",
    "UNP:P30657",
    "UNP:P32379",
    "UNP:P38624",
    "UNP:P40302",
    "UNP:P40303",
    "UNP:P49720",
    "UNP:P49721",
    "UNP:P60900",
    "UNP:Q99436"
   ]
  },
  {
   "line": 27180,
   "comp_id": "YQP",
   "ikey_connectivity": "HBPDMWXHIXRRKQ",
   "smiles": "C=S(CCC(N)C(=O)O)CC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O",
   "targets": [
    "UNP:P31153"
   ]
  },
  {
   "line": 27014,
   "comp_id": "YKG",
   "ikey_connectivity": "AVDUOTYJUPESMO",
   "smiles": "Cc1cc(Br)c2c(CP(=O)(O)O)cc(=O)oc2c1",
   "targets": [
    "UNP:C7C422",
    "UNP:Q9F663"
   ]
  },
  {
   "line": 18838,
   "comp_id": "M4H",
   "ikey_connectivity": "OTPKNUJKFUZRDR",
   "smiles": "O=C(O)c1cn(CC2(n3ccc4cccnc43)CCCC2)cc(O)c1=O",
   "targets": [
    "UNP:H6QM90",
    "UNP:H6QM91",
    "UNP:H6QM92"
   ]
  },
  {
   "line": 18466,
   "comp_id": "LIT",
   "ikey_connectivity": "ITBNJCVIFHSKRL",
   "smiles": "O=C(O)CSc1nnc(-c2ccc([N+](=O)[O-])o2)o1",
   "targets": [
    "UNP:P15121"
   ]
  },
  {
   "line": 18786,
   "comp_id": "M11",
   "ikey_connectivity": "SEWFXDOLNMAGTP",
   "smiles": "CC(C)C(OC(=O)C(NC(=O)CCCC(N)C(=O)O)C(C)S)C(=O)O",
   "targets": [
    "UNP:P05326"
   ]
  },
  {
   "line": 25889,
   "comp_id": "X3F",
   "ikey_connectivity": "QAYKYSCIOWYYNH",
   "smiles": "CCC(=O)c1nc(C#N)ccc1N1CCCOCC1",
   "targets": [
    "UNP:Q92835"
   ]
  },
  {
   "line": 9300,
   "comp_id": "A1EVP",
   "ikey_connectivity": "UQRAIIGEZLINAT",
   "smiles": "CCOc1cc(CN2CC3(CC(N4CCC(C(=O)O)CC4)=NO3)C2)cc(OCC)c1-c1ccc(F)cc1",
   "targets": [
    "UNP:P0ABE7",
    "UNP:P35346"
   ]
  },
  {
   "line": 9843,
   "comp_id": "A1IL3",
   "ikey_connectivity": "REZGGXNDEMKIQB",
   "smiles": "CCCOc1ccccc1-c1nc(=O)c2nn[nH]c2[nH]1",
   "targets": [
    "UNP:O95563",
    "UNP:P0AEY0",
    "UNP:P0DKB6"
   ]
  },
  {
   "line": 5783,
   "comp_id": "8J9",
   "ikey_connectivity": "QJZUXIPDHISQFZ",
   "smiles": "CCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)O",
   "targets": [
    "UNP:P12821"
   ]
  },
  {
   "line": 10862,
   "comp_id": "A1MBJ",
   "ikey_connectivity": "ABQUBKHJAWASBM",
   "smiles": "COc1cc(C)cc2cc(-c3cn(C4OC(CO)C(O)C4O)c4ncnc(N)c34)sc12",
   "targets": [
    "UNP:P11362"
   ]
  },
  {
   "line": 18126,
   "comp_id": "L1B",
   "ikey_connectivity": "AKHGQFJJDOXYFM",
   "smiles": "CCc1nc(N)nc(N)c1-c1ccc2ccc[n+](CCCOC)c2c1",
   "targets": [
    "UNP:P00797"
   ]
  },
  {
   "line": 26441,
   "comp_id": "XV8",
   "ikey_connectivity": "RLABERRSBCGGQT",
   "smiles": "CNC(=O)c1ccc(-c2cn(Cc3ccccc3)c3ncccc23)c([N+](=O)[O-])c1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 10695,
   "comp_id": "A1L70",
   "ikey_connectivity": "OWXFCNNGRPVSBM",
   "smiles": "CCC(O)(CC)COc1ccc([Si](C)(C)c2ccc(OCC(O)CCC(=O)O)cc2)cc1",
   "targets": [
    "UNP:P13053",
    "UNP:Q15648"
   ]
  },
  {
   "line": 1988,
   "comp_id": "34K",
   "ikey_connectivity": "OHRDQFFRIALSLB",
   "smiles": "O=C(O)C(Cc1ccccc1[N+](=O)[O-])=NNc1nc(-c2ccc(Br)cc2)cs1",
   "targets": [
    "UNP:P06730"
   ]
  },
  {
   "line": 6477,
   "comp_id": "9HD",
   "ikey_connectivity": "UBULRTDFHFSWCU",
   "smiles": "O=C1CCCN1CCC(CC(CC(CCN1CCCC1=O)N1CCCC1=O)N1CCCC1=O)N1C=CCC1=O",
   "targets": [
    "UNP:C3W5S0"
   ]
  },
  {
   "line": 27082,
   "comp_id": "YMS",
   "ikey_connectivity": "GQBZOCZYIKJBAR",
   "smiles": "CC(C)CC(NC(=O)OC1CCC(c2ccccc2)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 22369,
   "comp_id": "RK6",
   "ikey_connectivity": "YTZPJQXEGVHVLU",
   "smiles": "CNC(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 2722,
   "comp_id": "496",
   "ikey_connectivity": "ZGRBZBGNPZBNLW",
   "smiles": "NC(=O)c1c(NC(=O)Cn2cc(CO)c(C(F)(F)F)n2)sc2c1CCCC2",
   "targets": [
    "UNP:P19491"
   ]
  },
  {
   "line": 2194,
   "comp_id": "3GW",
   "ikey_connectivity": "PRYRELLFERSIJT",
   "smiles": "CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3cc(-c4ccc(C=O)s4)c(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1O",
   "targets": [
    "UNP:P16442"
   ]
  },
  {
   "line": 7902,
   "comp_id": "A1BHH",
   "ikey_connectivity": "QWBLJAQSBVDGFG",
   "smiles": "CCS(=O)(=O)Nc1cccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)c1",
   "targets": [
    "UNP:Q9H999"
   ]
  },
  {
   "line": 21468,
   "comp_id": "QCB",
   "ikey_connectivity": "DWVLLSYZUNNOOL",
   "smiles": "CC(O)C(NC(=O)CP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(=O)O",
   "targets": [
    "UNP:P05852",
    "UNP:P76256"
   ]
  },
  {
   "line": 12261,
   "comp_id": "CC0",
   "ikey_connectivity": "FXUGQWABROMTDA",
   "smiles": "CC(=O)NC(Cc1ccc(OCC(=O)O)c(P(=O)(O)O)c1)C(=O)NC(C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1",
   "targets": [
    "UNP:P06239"
   ]
  },
  {
   "line": 27402,
   "comp_id": "Z81",
   "ikey_connectivity": "RKYFABJLGJZOBA",
   "smiles": "CN1C(=O)C(c2ccncc2)(c2cccc(-c3cc(F)ccc3F)c2)N=C1N",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 8662,
   "comp_id": "A1CQL",
   "ikey_connectivity": "LHXXALHVNJOSSE",
   "smiles": "CCC(O)C(=O)N1CCNC(=O)C1c1ccc(C(F)(F)F)cc1",
   "targets": [
    "UNP:P0ABE7",
    "UNP:P29274"
   ]
  },
  {
   "line": 2756,
   "comp_id": "4BG",
   "ikey_connectivity": "YJPUATSIKWOSST",
   "smiles": "NCC(=O)Nc1ccc(OCc2ccccc2)cc1",
   "targets": [
    "UNP:P09960"
   ]
  },
  {
   "line": 12347,
   "comp_id": "CHU",
   "ikey_connectivity": "LMMJFBMMJUMSJS",
   "smiles": "CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F",
   "targets": [
    "UNP:P15056",
    "UNP:P63104",
    "UNP:Q02750"
   ]
  },
  {
   "line": 4153,
   "comp_id": "6B5",
   "ikey_connectivity": "RRRSSAVLTCVNIQ",
   "smiles": "COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 23675,
   "comp_id": "TOG",
   "ikey_connectivity": "VGWJMSNWDAXPBE",
   "smiles": "Cc1ncc(C[n+]2c([C-](O)CCC(=O)O)sc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1",
   "targets": [
    "UNP:P9WK11"
   ]
  },
  {
   "line": 17255,
   "comp_id": "JSN",
   "ikey_connectivity": "MEHFDOJZBVYYGY",
   "smiles": "CC1=NC(=O)NC(c2ccc(F)cc2F)C1C(=O)N(C)C",
   "targets": [
    "UNP:O14965"
   ]
  },
  {
   "line": 22524,
   "comp_id": "RSE",
   "ikey_connectivity": "FCPLZYTYUZTIIR",
   "smiles": "COC1C(O)C(COP(=O)(O)OP(=O)([SeH])OP(=O)(O)O)OC1n1c[n+](C)c2c(=O)[nH]c(N)nc21",
   "targets": [
    "UNP:P63073"
   ]
  },
  {
   "line": 20994,
   "comp_id": "PL7",
   "ikey_connectivity": "LDNKNKRRFZRLIG",
   "smiles": "O=C(O)CCC(=NOCC(NC(=O)COc1ccccc1)C(=O)O)C(=O)O",
   "targets": [
    "UNP:O70038"
   ]
  },
  {
   "line": 17807,
   "comp_id": "KKX",
   "ikey_connectivity": "FNGADGGFBAIBRP",
   "smiles": "CC(=O)NC(CCC(O)C(CO)NCc1c(COP(=O)(O)O)cnc(C)c1O)C(=O)O",
   "targets": [
    "UNP:A0A1W5T2G9"
   ]
  },
  {
   "line": 22296,
   "comp_id": "RGJ",
   "ikey_connectivity": "MXBCVSLLTIRSIL",
   "smiles": "CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccc(Cl)cc1F",
   "targets": [
    "UNP:P36639"
   ]
  },
  {
   "line": 15611,
   "comp_id": "HCY",
   "ikey_connectivity": "JYGXADMDTFJGBT",
   "smiles": "CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO",
   "targets": [
    "UNP:H0ZQY2",
    "UNP:P01011",
    "UNP:P04150",
    "UNP:P08185",
    "UNP:P09471",
    "UNP:P31211",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:Q15596",
    "UNP:Q86Y34",
    "UNP:Q9UBK2"
   ]
  },
  {
   "line": 1365,
   "comp_id": "254",
   "ikey_connectivity": "RNZIUDLOJHVHLZ",
   "smiles": "CC1(C)CCC(C)(C)c2cc(C(=NO)c3ccc4cc(C(=O)O)ccc4c3)ccc21",
   "targets": [
    "UNP:P13631"
   ]
  },
  {
   "line": 8198,
   "comp_id": "A1BU9",
   "ikey_connectivity": "RXPOVSSVBGRCOL",
   "smiles": "COc1ccc2nccc(CCC3OCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CO3)c2c1",
   "targets": [
    "UNP:P0A0K8",
    "UNP:P20831"
   ]
  },
  {
   "line": 14509,
   "comp_id": "FSA",
   "ikey_connectivity": "UORIXTGMSRMKDZ",
   "smiles": "O=C(O)CSCC1(O)OCC(O)C(O)C1O",
   "targets": [
    "UNP:P78573"
   ]
  },
  {
   "line": 25253,
   "comp_id": "W66",
   "ikey_connectivity": "YUXWMCKGSHXUGW",
   "smiles": "CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1",
   "targets": [
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 10449,
   "comp_id": "A1JOW",
   "ikey_connectivity": "HJCSKFSDXDPIKM",
   "smiles": "COc1ccccc1CNCCc1c[nH]c2ccccc12",
   "targets": [
    "UNP:P21836"
   ]
  },
  {
   "line": 25770,
   "comp_id": "WXF",
   "ikey_connectivity": "HZXBKRVXTGQUNC",
   "smiles": "CC1CN(C(=O)c2ccnc3[nH]c(O)nc23)CCO1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 10651,
   "comp_id": "A1L4O",
   "ikey_connectivity": "JJPMVSRTRMLHST",
   "smiles": "CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C",
   "targets": [
    "UNP:W8VZ92",
    "UNP:W8VZW3"
   ]
  },
  {
   "line": 23615,
   "comp_id": "TKF",
   "ikey_connectivity": "RPVUYLFRBVBINJ",
   "smiles": "O=C(NCc1ccc2sccc2c1)C1CCCN(c2ncnc3nn(-c4ccc(C(F)(F)F)cc4)cc23)C1",
   "targets": [
    "UNP:P43490"
   ]
  },
  {
   "line": 14112,
   "comp_id": "F68",
   "ikey_connectivity": "DUVVGYBLYHSFMV",
   "smiles": "Cc1ccc(C(=O)NC(=O)NC2OC(CO)C(O)C(O)C2O)cc1",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 26570,
   "comp_id": "Y1M",
   "ikey_connectivity": "NPFSQHMDDIVZSU",
   "smiles": "O=C(NCC1=[SH]CCC1)N1CCN(C(=O)c2ccco2)CC1",
   "targets": [
    "UNP:Q8WWQ0"
   ]
  },
  {
   "line": 10294,
   "comp_id": "A1JGC",
   "ikey_connectivity": "SICLOXFVNCVVMM",
   "smiles": "Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC1c1ccc(Cl)c(F)c1",
   "targets": [
    "UNP:P0DTC1"
   ]
  },
  {
   "line": 17967,
   "comp_id": "KTE",
   "ikey_connectivity": "CPODZCVBMHISBV",
   "smiles": "OCC(O)C(O)COC1(CO)OC(CO)C(O)C1O",
   "targets": [
    "UNP:E5D0X5"
   ]
  },
  {
   "line": 21288,
   "comp_id": "Q2Q",
   "ikey_connectivity": "QLWOIKQIMHVRGX",
   "smiles": "O=C1CC(c2ccccc2)=Nc2c(-c3ccccc3)c(C(F)(F)F)nn21",
   "targets": [
    "UNP:O60674"
   ]
  },
  {
   "line": 24429,
   "comp_id": "UUL",
   "ikey_connectivity": "ZFGXZJKLOFCECI",
   "smiles": "Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1",
   "targets": [
    "UNP:Q9NYA1"
   ]
  },
  {
   "line": 6608,
   "comp_id": "9N5",
   "ikey_connectivity": "PCSOIAVOYXKQKF",
   "smiles": "C#Cc1cnc2ccc(OC(OC)C(=O)NC(C)(C)C=NOC)cc2c1",
   "targets": [
    "UNP:A0A8V0Z8P0",
    "UNP:P63043",
    "UNP:P81947",
    "UNP:Q6B856"
   ]
  },
  {
   "line": 27012,
   "comp_id": "YKE",
   "ikey_connectivity": "YDMHGGAKCRWQBD",
   "smiles": "O=C(NC1=c2ccccc2=C2C1=CC=CC2c1nc2ccncc2[nH]1)c1cccc2ncccc12",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 1944,
   "comp_id": "32C",
   "ikey_connectivity": "IYCZAWHAUDFBFO",
   "smiles": "Cc1cn(C2CCCN(C(CC(C)C)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3F)C2)c(=O)[nH]c1=O",
   "targets": [
    "UNP:Q6GJI9"
   ]
  },
  {
   "line": 16474,
   "comp_id": "IRL",
   "ikey_connectivity": "UZDORQWMYRRLQV",
   "smiles": "Cc1cc(C)cc(C(=O)N(C)C(Cc2ccc(-c3ccccc3)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1",
   "targets": [
    "UNP:P68871",
    "UNP:P69905"
   ]
  },
  {
   "line": 13958,
   "comp_id": "EY1",
   "ikey_connectivity": "UUKXOVBCMOZQNC",
   "smiles": "O=C(CSc1nnc[nH]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1",
   "targets": [
    "UNP:Q15562"
   ]
  },
  {
   "line": 23057,
   "comp_id": "SLF",
   "ikey_connectivity": "GQQZXRPXBDJABR",
   "smiles": "CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)NC(=O)CCCCCCCCCCCCCCCCC",
   "targets": [
    "UNP:P06126",
    "UNP:P61769"
   ]
  },
  {
   "line": 4952,
   "comp_id": "7EZ",
   "ikey_connectivity": "YXQCSWUATWXVGK",
   "smiles": "CCC=CCC(O)C(O)CC=CCC=CCC=CCC=CCCC(=O)O",
   "targets": [
    "UNP:A0A0H2ZD27"
   ]
  },
  {
   "line": 9264,
   "comp_id": "A1ESZ",
   "ikey_connectivity": "LPAUOXUZGSBGDU",
   "smiles": "CCCN=C1SC(=Cc2ccc(OCC(O)CO)c(Cl)c2)C(=O)N1c1ccccc1C",
   "targets": [
    "UNP:P0ABE7",
    "UNP:P21453",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096"
   ]
  },
  {
   "line": 13118,
   "comp_id": "DRS",
   "ikey_connectivity": "RRAAROKJUVKWAF",
   "smiles": "CC(C)C1NC(=O)CCCCOc2ccc(cc2)CC(C(=O)O)NC1=O",
   "targets": [
    "UNP:P03369"
   ]
  },
  {
   "line": 10939,
   "comp_id": "A4F",
   "ikey_connectivity": "UTUYQGGHTUQHQQ",
   "smiles": "Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1",
   "targets": [
    "UNP:Q9C0B1"
   ]
  },
  {
   "line": 9905,
   "comp_id": "A1INQ",
   "ikey_connectivity": "PNIMKFUOUMACNI",
   "smiles": "COc1cc2cc(c1OC)OC(C)CCn1cc(nn1)CCCCOC(=O)C1CCCCN1C(=O)C2C1CCCCC1",
   "targets": [
    "UNP:Q13451"
   ]
  },
  {
   "line": 20443,
   "comp_id": "OQV",
   "ikey_connectivity": "LPGGYDYQUYLLOU",
   "smiles": "COC(=O)NC(C(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)C(C)(C)C",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 27203,
   "comp_id": "YRT",
   "ikey_connectivity": "KKGZRIXMGYCVFQ",
   "smiles": "CC(c1cccc2c(-c3ccc(NS(=O)(=O)C4COC4)c(F)c3)c(C(=O)O)[nH]c12)N1CC2(CC(CN)C2)OC1=O",
   "targets": [
    "UNP:Q9XAY4"
   ]
  },
  {
   "line": 19213,
   "comp_id": "MUB",
   "ikey_connectivity": "MNLRQHMNZILYPY",
   "smiles": "CC(=O)NC1C(O)OC(CO)C(O)C1OC(C)C(=O)O",
   "targets": [
    "UNP:P10153",
    "UNP:P12529",
    "UNP:Q2FZK7",
    "UNP:Q9EY50",
    "UNP:Q9HVZ7"
   ]
  },
  {
   "line": 5392,
   "comp_id": "7YW",
   "ikey_connectivity": "NCUGWYVGOAXURU",
   "smiles": "CC(C)CC(NC(=O)C(NC(=O)OCc1cccc(Cl)c1)C(C)OC(C)(C)C)C(=O)NC(CO)CC1CCNC1=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 22138,
   "comp_id": "R82",
   "ikey_connectivity": "WCESRWVTCVMYMU",
   "smiles": "COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CC2C)cc1NC(C)=O",
   "targets": [
    "UNP:P0ACC7"
   ]
  },
  {
   "line": 27099,
   "comp_id": "YNA",
   "ikey_connectivity": "OMQBAUBAIKPPEO",
   "smiles": "Cn1cnc2c(c(-c3ccc(O)c(C#N)c3)cn2CC(=O)Nc2ccncc2Cl)c1=O",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 908,
   "comp_id": "1H9",
   "ikey_connectivity": "YIOCXMXACLICDU",
   "smiles": "O=c1[nH]c2sccc2c2cc(OCc3cccc(Br)c3)ccc12",
   "targets": [
    "UNP:Q460N3"
   ]
  },
  {
   "line": 1291,
   "comp_id": "21J",
   "ikey_connectivity": "HZLWQWJVRYNNLF",
   "smiles": "CCS(=O)(=O)NC1CCN(C(=O)COc2c(Cl)cc(Cl)c3c2OC(C)(C)O3)CC1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 27041,
   "comp_id": "YLD",
   "ikey_connectivity": "LNGFVEUFXDACOC",
   "smiles": "CC(C)CC(NC(=O)OCc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 26501,
   "comp_id": "XYE",
   "ikey_connectivity": "AEKYEOXDOBSHHC",
   "smiles": "Cc1cc(OCc2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)c(C(C)(C)C)cc1Cl",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 10538,
   "comp_id": "A1JY7",
   "ikey_connectivity": "SZISEOWVMTUGDL",
   "smiles": "CCCCCCc1ccc(Oc2ccc(C=NNC(N)=S)cc2)c(O)c1",
   "targets": [
    "UNP:P9WGR1"
   ]
  },
  {
   "line": 2749,
   "comp_id": "4B6",
   "ikey_connectivity": "WXSPVANDYDKIDO",
   "smiles": "CC(=O)Nc1ccc(-c2csc(Nc3ccccc3F)n2)cc1",
   "targets": [
    "UNP:A0A8V0Z8P0",
    "UNP:P63043",
    "UNP:P81947",
    "UNP:Q6B856"
   ]
  },
  {
   "line": 10906,
   "comp_id": "A2D",
   "ikey_connectivity": "AKDJDUXNKGWGAZ",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O",
   "targets": [
    "UNP:Q8Y8D7"
   ]
  },
  {
   "line": 18821,
   "comp_id": "M36",
   "ikey_connectivity": "QHLZYKWHQKCZMD",
   "smiles": "COc1c(OCCCCCCC(=O)O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4",
   "targets": [
    "UNP:Q08499"
   ]
  },
  {
   "line": 12766,
   "comp_id": "D5Q",
   "ikey_connectivity": "SQTWIUXTIUIKOJ",
   "smiles": "COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(-c4[nH]c(SC)nc4-c4ccc(F)cc4)ccn3)n(C)c2)c1",
   "targets": [
    "UNP:P48730"
   ]
  },
  {
   "line": 7256,
   "comp_id": "A1AHO",
   "ikey_connectivity": "VEBABUQGMLEWKT",
   "smiles": "COc1ccc(N(CC2CC2)S(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1",
   "targets": [
    "UNP:P03372"
   ]
  },
  {
   "line": 13088,
   "comp_id": "DQ3",
   "ikey_connectivity": "XMRJZVVWOPBOKP",
   "smiles": "Nc1nc(N)c(-c2cccc(Cl)c2)c(CCCOc2ccccc2)n1",
   "targets": [
    "UNP:D9N170"
   ]
  },
  {
   "line": 21946,
   "comp_id": "QZI",
   "ikey_connectivity": "DZRRTVYFYXFKCY",
   "smiles": "CC(C)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)O",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 529,
   "comp_id": "0X0",
   "ikey_connectivity": "WYLSGWZVDHQRNX",
   "smiles": "COc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC",
   "targets": [
    "UNP:Q96RI1",
    "UNP:Q9UBK2"
   ]
  },
  {
   "line": 22315,
   "comp_id": "RHN",
   "ikey_connectivity": "FCDLCPWAQCPTKC",
   "smiles": "O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O",
   "targets": [
    "UNP:P05050"
   ]
  },
  {
   "line": 1088,
   "comp_id": "1QU",
   "ikey_connectivity": "QKLJNYJRYSKKKP",
   "smiles": "O=C(NC(Cc1ccccc1)C(O)CNCc1cccc(C(F)(F)F)c1)c1cc(N2CCCC2=O)c(=O)n(C2CCCC2)c1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 15789,
   "comp_id": "HOS",
   "ikey_connectivity": "FAFRRYBYQKPKSY",
   "smiles": "C=C(C)C1NC(=O)C(NC)C(O)c2cc(Cl)c(O)c(c2)OC(C)(CC)C(C(=O)N2CC=CC2C(=O)NC(C(=O)NC(=CC(=O)O)C(=O)O)=C(C)CC)NC1=O",
   "targets": [
    "UNP:A0A8D1UIR5",
    "UNP:A0A8V0Z8P0",
    "UNP:P63042",
    "UNP:Q2XVP4"
   ]
  },
  {
   "line": 19456,
   "comp_id": "N6Z",
   "ikey_connectivity": "CTBIYDHGUMTQNM",
   "smiles": "CCC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C",
   "targets": [
    "UNP:Q06187"
   ]
  },
  {
   "line": 12482,
   "comp_id": "CPF",
   "ikey_connectivity": "MYSWGUAQZAJSOK",
   "smiles": "O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O",
   "targets": [
    "UNP:A0A1C9A1J1",
    "UNP:P08519",
    "UNP:P12821"
   ]
  },
  {
   "line": 27624,
   "comp_id": "ZOM",
   "ikey_connectivity": "ZXVNMYWKKDOREA",
   "smiles": "Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1",
   "targets": [
    "UNP:P42330",
    "UNP:P52895"
   ]
  },
  {
   "line": 6417,
   "comp_id": "9E5",
   "ikey_connectivity": "UTFNKOUSVJRLOG",
   "smiles": "Cc1ccc2c(C)c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)oc2c1C",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 14104,
   "comp_id": "F5Q",
   "ikey_connectivity": "HRSWREJECUVHPS",
   "smiles": "CN1CCC(CCCCc2ccc(S(=O)(=O)Nc3c(N4CCCC4)ccc4ncccc34)cc2)CC1",
   "targets": [
    "UNP:Q4Q5S8"
   ]
  },
  {
   "line": 17470,
   "comp_id": "K3H",
   "ikey_connectivity": "OPWBYPZWGGCZGG",
   "smiles": "CN(CC#Cc1nc2c(N)ncnc2n1C1OC(CO)C(O)C1O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q8Y8D7"
   ]
  },
  {
   "line": 19967,
   "comp_id": "O27",
   "ikey_connectivity": "CFYCEUGQUDABFL",
   "smiles": "O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1sc2c(c1C(=O)NC1CCNC1)CCCC2",
   "targets": [
    "UNP:P19491"
   ]
  },
  {
   "line": 4082,
   "comp_id": "67J",
   "ikey_connectivity": "ZBZNBRLJRWPWRY",
   "smiles": "CCNC(=O)c1c(C)sc2nc(Cc3cccc(C(F)(F)F)c3F)cc(=O)n12",
   "targets": [
    "UNP:Q05586",
    "UNP:Q12879"
   ]
  },
  {
   "line": 21153,
   "comp_id": "PV2",
   "ikey_connectivity": "GBZLIDQSMMVGSH",
   "smiles": "O=S(=O)(c1ccc(O)cc1O)N1Cc2ccccc2C1",
   "targets": [
    "UNP:Q15119"
   ]
  },
  {
   "line": 8088,
   "comp_id": "A1BPV",
   "ikey_connectivity": "GUBBGFXTNMOAAR",
   "smiles": "COCc1ccccc1NC(=O)N1CCCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 6286,
   "comp_id": "97M",
   "ikey_connectivity": "KVYUBFKSKZWZSV",
   "smiles": "CCCCCCC=CCCCCCCCC(=O)OCC(O)CO",
   "targets": [
    "UNP:P43261",
    "UNP:Q5M4H8"
   ]
  },
  {
   "line": 8838,
   "comp_id": "A1D7S",
   "ikey_connectivity": "BCVRSQNGADAZKS",
   "smiles": "CCC=CCC=CCC=CCC=CCC=CCCCCOCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC",
   "targets": [
    "UNP:A0A139WBS7"
   ]
  },
  {
   "line": 20901,
   "comp_id": "PFH",
   "ikey_connectivity": "UPTQSRGSSJRBKJ",
   "smiles": "COc1cc2ncnc(N3CCC(Oc4ccc5ccccc5c4)C3)c2cc1OC",
   "targets": [
    "UNP:Q9QYJ6"
   ]
  },
  {
   "line": 19814,
   "comp_id": "NRV",
   "ikey_connectivity": "CBDNCFPVVCMFOD",
   "smiles": "CCN(CC)CCSc1nnc2c3cc(F)ccc3n(C)c2n1",
   "targets": [
    "UNP:P9WFK7"
   ]
  },
  {
   "line": 18795,
   "comp_id": "M1V",
   "ikey_connectivity": "CXQHEXWJGZEPFP",
   "smiles": "CCC1=C(C)C(=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O",
   "targets": [
    "UNP:A0A067XP68",
    "UNP:A0A067XP72",
    "UNP:A0A067XP78",
    "UNP:A0A8J7AQW4",
    "UNP:A0ABT6EZI8",
    "UNP:B4WIH2",
    "UNP:B4WKI4",
    "UNP:B4WKI6",
    "UNP:B4WKI7",
    "UNP:B4WKI8",
    "UNP:U5T880",
    "UNP:U5T8F2",
    "UNP:U5T8W5"
   ]
  },
  {
   "line": 4365,
   "comp_id": "6LT",
   "ikey_connectivity": "ANNKHJQLDMGQFM",
   "smiles": "CC(C)n1nc(C(F)F)cc1C(=O)Nc1ccc(C2C(O)CCCc3cncn32)c(-c2ccccc2)c1",
   "targets": [
    "UNP:P61201",
    "UNP:P62877",
    "UNP:Q13098",
    "UNP:Q13616",
    "UNP:Q15843",
    "UNP:Q7L5N1",
    "UNP:Q92905",
    "UNP:Q99627",
    "UNP:Q9BT78",
    "UNP:Q9H9Q2",
    "UNP:Q9UNS2"
   ]
  },
  {
   "line": 1308,
   "comp_id": "222",
   "ikey_connectivity": "QGJNGXXVCVFADC",
   "smiles": "O=C1c2ccccc2C(=O)N1CCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccc(F)cc1Cl",
   "targets": [
    "UNP:Q16539"
   ]
  },
  {
   "line": 24759,
   "comp_id": "VCI",
   "ikey_connectivity": "GEEYVAKBEISXHH",
   "smiles": "CS(=O)(=O)Nc1ccc(-c2nc(N)nc(N)c2C#CC2CC2)cc1",
   "targets": [
    "UNP:P9WNX1"
   ]
  },
  {
   "line": 19055,
   "comp_id": "MIM",
   "ikey_connectivity": "WHLPIOSHBKQGHA",
   "smiles": "Cc1nccn1CCCCc1ccc(CC(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCCC2CCCCC2)cc1",
   "targets": [
    "UNP:P30418"
   ]
  },
  {
   "line": 24412,
   "comp_id": "UTI",
   "ikey_connectivity": "JJEGOJPMKLRSPJ",
   "smiles": "COc1cc(C(O)(CCN(C)C)C(c2cc3cc(Br)ccc3nc2OC)c2cccc(OC)c2F)cc(OC)n1",
   "targets": [
    "UNP:P9WPS1",
    "UNP:P9WPU5",
    "UNP:P9WPU7",
    "UNP:P9WPU9",
    "UNP:P9WPV1",
    "UNP:P9WPV3",
    "UNP:P9WPV5",
    "UNP:P9WPV7"
   ]
  },
  {
   "line": 9307,
   "comp_id": "A1EWL",
   "ikey_connectivity": "JGGCLDZEMRTKQQ",
   "smiles": "COC(=O)C(C)(C)C1CCc2c(sc(NC(=O)c3ccncc3)c2C(N)=O)C1",
   "targets": [
    "UNP:P07550",
    "UNP:P21728",
    "UNP:P54311",
    "UNP:P63092",
    "UNP:P63212"
   ]
  },
  {
   "line": 11359,
   "comp_id": "AW8",
   "ikey_connectivity": "WLZWRUMUOJLESO",
   "smiles": "CC1=Nc2c(-c3ccc(Cl)cc3)nc3ccc(F)cc3c2C(O)N1CC(=O)O",
   "targets": [
    "UNP:P15121"
   ]
  },
  {
   "line": 9954,
   "comp_id": "A1IPT",
   "ikey_connectivity": "VBRQXIPDXSTPRY",
   "smiles": "CNC(=O)c1cccc(COc2cc(C(=O)O)ccc2-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccc(Cl)cc23)c1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 10597,
   "comp_id": "A1L1G",
   "ikey_connectivity": "OWWSPDNLRSCPIS",
   "smiles": "CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C=CC12OC1(C)CC(O)CC2(C)C)CO",
   "targets": [
    "UNP:A0A222AI28",
    "UNP:A0A4D9CSZ5",
    "UNP:A0A4D9CWL9",
    "UNP:A0A835YIY2",
    "UNP:A0A835YRG9",
    "UNP:A0A835Z019",
    "UNP:A0A835Z4D2",
    "UNP:A0A835Z6M5",
    "UNP:A0A835Z6T4",
    "UNP:A0A836C871",
    "UNP:A0A836CBA1",
    "UNP:A0A836CGA6",
    "UNP:A0A836CK85",
    "UNP:A0A836CLY0",
    "UNP:A0T0F3",
    "UNP:B7T217",
    "UNP:B8C770",
    "UNP:D1J7A3",
    "UNP:D1J7A4",
    "UNP:D1J7A8",
    "UNP:D1J7A9",
    "UNP:D1J7C4",
    "UNP:I2CPJ1",
    "UNP:P49481",
    "UNP:Q0P3P1",
    "UNP:T1RIQ1",
    "UNP:T1RIT2",
    "UNP:T1RJ05",
    "UNP:T1RJ07",
    "UNP:T1RJP7",
    "UNP:T1RJT6",
    "UNP:T1RJW8",
    "UNP:T1RJY1",
    "UNP:T1RJZ1",
    "UNP:W7UAI7"
   ]
  },
  {
   "line": 9178,
   "comp_id": "A1ENR",
   "ikey_connectivity": "QKUYZJOTWYRWNF",
   "smiles": "CCC(C)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1",
   "targets": [
    "UNP:O00222"
   ]
  },
  {
   "line": 26278,
   "comp_id": "XN8",
   "ikey_connectivity": "JMZPXXMAMHNKHM",
   "smiles": "COC(=O)C1c2cc3c(c(O)c2C(OC2OC(C)C(O)C(C)(O)C2OC)CC1(C)O)C(=O)c1c(O)ccc(O)c1C3=O",
   "targets": [
    "UNP:Q9RN64"
   ]
  },
  {
   "line": 11155,
   "comp_id": "AJ6",
   "ikey_connectivity": "IQDLYUBWYUECEE",
   "smiles": "Cc1cc(=O)[nH]c2cc(-c3ccc(N)cc3Cl)ccc12",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 22639,
   "comp_id": "RZC",
   "ikey_connectivity": "ZMABEZJRHJFFQS",
   "smiles": "CC(C)(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(-c2csc(C(=N)N)c2)c1",
   "targets": [
    "UNP:P03372",
    "UNP:P31947"
   ]
  },
  {
   "line": 7165,
   "comp_id": "A1ADC",
   "ikey_connectivity": "BERGFUUTFFRLQM",
   "smiles": "CN(C)C1CCN(S(=O)(F)=Nc2ccc(C(=O)N3CCOC(c4ccccc4)C3)c(Cl)c2)C1",
   "targets": [
    "UNP:P03452"
   ]
  },
  {
   "line": 14720,
   "comp_id": "G3C",
   "ikey_connectivity": "TVURRHSHRRELCG",
   "smiles": "Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1",
   "targets": [
    "UNP:P0ABE7",
    "UNP:P21728",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63092",
    "UNP:P63096",
    "UNP:Q96RJ0"
   ]
  },
  {
   "line": 6765,
   "comp_id": "9UJ",
   "ikey_connectivity": "RZAMDGBOOPJHJQ",
   "smiles": "Cc1noc(C)c1-c1ccc(C(=O)N2C(C(=O)O)CSC2c2ccccc2Cl)cc1",
   "targets": [
    "UNP:O15552",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096"
   ]
  },
  {
   "line": 12897,
   "comp_id": "DCS",
   "ikey_connectivity": "NNRZSZJOQKAGTO",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(CNC2CONC2=O)c1O",
   "targets": [
    "UNP:O32164",
    "UNP:O86786",
    "UNP:P0A6B4",
    "UNP:P10724",
    "UNP:P19938",
    "UNP:P28305",
    "UNP:Q180W0",
    "UNP:Q65YW7",
    "UNP:Q837J0",
    "UNP:Q8ZNF3"
   ]
  },
  {
   "line": 8262,
   "comp_id": "A1BY7",
   "ikey_connectivity": "CWIXCQOSULUGBT",
   "smiles": "CC(C)OC(=O)NC1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1",
   "targets": [
    "UNP:O60928"
   ]
  },
  {
   "line": 16759,
   "comp_id": "J4D",
   "ikey_connectivity": "MOCQKRDJRULJNL",
   "smiles": "O=C(Nc1cc(S(=O)(=O)[N+](=O)[O-])cc([N+](=O)[O-])c1O)Nc1c(F)c(F)c(F)c(F)c1F",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 2778,
   "comp_id": "4CK",
   "ikey_connectivity": "XOKMDOXIMWIBTG",
   "smiles": "O=C(O)c1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)cc1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 13858,
   "comp_id": "ESH",
   "ikey_connectivity": "LVAIBFBNGXNDPW",
   "smiles": "CC(C)C1C2C(C(=O)N1Cc1ccc(Cl)cc1)C(c1ccc(C(=N)N)cc1)N1CCCC21",
   "targets": [
    "UNP:P00734",
    "UNP:P28508"
   ]
  },
  {
   "line": 23887,
   "comp_id": "U20",
   "ikey_connectivity": "TZSJGZGYQDNRRX",
   "smiles": "CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1NC(C)=O",
   "targets": [
    "UNP:B4ETT2",
    "UNP:P0A722"
   ]
  },
  {
   "line": 15400,
   "comp_id": "H37",
   "ikey_connectivity": "PJFSUJMJVYGASC",
   "smiles": "N=C(N)NCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)C(=O)CCl",
   "targets": [
    "UNP:P95493"
   ]
  },
  {
   "line": 22195,
   "comp_id": "RB3",
   "ikey_connectivity": "WGAHBMKAEWUQKL",
   "smiles": "COC(=O)CC(C)OC(=O)CC(C)OC(=O)CC(C)O",
   "targets": [
    "UNP:B2NHN2",
    "UNP:Q939Q9"
   ]
  },
  {
   "line": 7320,
   "comp_id": "A1AKS",
   "ikey_connectivity": "FHHVXLFEHODNRQ",
   "smiles": "O=C(O)C(Nc1ncnc2[nH]ccc12)c1ccc2c(c1)OCCO2",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 15366,
   "comp_id": "H1J",
   "ikey_connectivity": "BNRVDRRNZNBFGG",
   "smiles": "O=C(Cc1ccc(F)cc1)Nc1cccc(Cl)c1",
   "targets": [
    "UNP:P0C024"
   ]
  },
  {
   "line": 27364,
   "comp_id": "Z3F",
   "ikey_connectivity": "KORUUSLMTDCGIB",
   "smiles": "CN1CCN(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)c(F)c3)C2)CC1",
   "targets": [
    "UNP:A0A0M3KKW9"
   ]
  },
  {
   "line": 2426,
   "comp_id": "3U6",
   "ikey_connectivity": "LYSVYDGAEVIKAF",
   "smiles": "Nc1nnc(-c2ccc3[nH]cc(-c4cccc(NC5CCCC5)n4)c3c2)s1",
   "targets": [
    "UNP:P11309"
   ]
  },
  {
   "line": 12794,
   "comp_id": "D6Z",
   "ikey_connectivity": "UXEXYURPAPXPSR",
   "smiles": "O=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4n3)CC2)c2c(Br)cccc21)NCC(F)(F)F",
   "targets": [
    "UNP:Q08345"
   ]
  },
  {
   "line": 19852,
   "comp_id": "NUQ",
   "ikey_connectivity": "QXLXUFQMLZRGPI",
   "smiles": "Cn1cc(-c2nc[nH]c2-c2ccc(F)cc2)ccc1=O",
   "targets": [
    "UNP:P25440"
   ]
  },
  {
   "line": 26919,
   "comp_id": "YGR",
   "ikey_connectivity": "HHDDKDPLFXIPBX",
   "smiles": "COc1cc(C(O)(CCN(C)C)C(c2cc3cc(Br)ccc3nc2OC)c2cc(OC)nc(OC)c2OC)cc(OC)n1",
   "targets": [
    "UNP:A0R1Z9",
    "UNP:A0R200",
    "UNP:A0R201",
    "UNP:A0R202",
    "UNP:A0R203",
    "UNP:A0R204",
    "UNP:A0R205",
    "UNP:A0R206"
   ]
  },
  {
   "line": 22618,
   "comp_id": "RY5",
   "ikey_connectivity": "BIZQWNOTOCHPKD",
   "smiles": "O=C1NC2(CCc3cc(Cl)ccc32)C(=O)N1Cc1ccon1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 14016,
   "comp_id": "F17",
   "ikey_connectivity": "UFODMKCMIALWNE",
   "smiles": "NC(=O)C(Cc1ccc(C2=CC(=O)NS2(=O)=O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)Cc1ccc(C2=CC(=O)NS2(=O)=O)cc1",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 25299,
   "comp_id": "W8L",
   "ikey_connectivity": "CWBRRAZUVHYFCO",
   "smiles": "Cc1cccc2c(=O)[nH]c(-c3ccc(Cl)cc3)cc12",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 15699,
   "comp_id": "HIK",
   "ikey_connectivity": "PWWUVSFRVAAKJX",
   "smiles": "CCc1nc(N)nc(N)c1OCCCOc1ncccc1CCCO",
   "targets": [
    "UNP:P9WNX1"
   ]
  },
  {
   "line": 17587,
   "comp_id": "K9D",
   "ikey_connectivity": "OIYWBNMJMDVZAF",
   "smiles": "O=C(CCCCC1SCC2NC(=O)NC21)NCCN1C(=O)c2cccc3c(N4CCc5ccccc5C4)ccc(c23)C1=O",
   "targets": [
    "UNP:P22629"
   ]
  },
  {
   "line": 15019,
   "comp_id": "GHT",
   "ikey_connectivity": "XPRXRILREFALSL",
   "smiles": "COc1cc2c(cc1O)cc1c3c(cc(O)c(OC)c32)CCN1C",
   "targets": [
    "UNP:A0A5S8WF76",
    "UNP:P68400"
   ]
  },
  {
   "line": 9827,
   "comp_id": "A1IKB",
   "ikey_connectivity": "RLZROBMWZRHTER",
   "smiles": "O=C(CCCCCCCNc1nc2cc(C(=O)O)ccc2c2cnccc12)NO",
   "targets": [
    "UNP:P19784",
    "UNP:P68400"
   ]
  },
  {
   "line": 14687,
   "comp_id": "G1G",
   "ikey_connectivity": "CUWKXCJRSKNYSN",
   "smiles": "COC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC([n+]3cn(C)c4c(=O)[nH]c(N)nc43)C(O)C2O)OC1n1cnc2c(=O)[nH]c(N)nc21",
   "targets": [
    "UNP:A0A0B8RVL1",
    "UNP:A0A287ADR4",
    "UNP:A0A4X1TRS6",
    "UNP:A0A4X1VEK9",
    "UNP:A0A4X1VKG7",
    "UNP:A0A4X1VYD0",
    "UNP:F1RKE4",
    "UNP:I3LCB2",
    "UNP:I3LCH3",
    "UNP:I3LJR4",
    "UNP:I3LSI7",
    "UNP:M9TI86",
    "UNP:M9TLW3",
    "UNP:O00267",
    "UNP:P12823",
    "UNP:P60899",
    "UNP:P63272",
    "UNP:X5F427"
   ]
  },
  {
   "line": 2690,
   "comp_id": "475",
   "ikey_connectivity": "XWDCGBAAIPNJDU",
   "smiles": "O=C(Nc1ccccn1)C(=O)NC1OC(CO)C(O)C(O)C1O",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 19615,
   "comp_id": "NG6",
   "ikey_connectivity": "WJFVEEAIYIOATH",
   "smiles": "CC(=O)NC1C(O)OC(COS(=O)(=O)O)C(O)C1O",
   "targets": [
    "UNP:Q8A2H2"
   ]
  },
  {
   "line": 3549,
   "comp_id": "5HK",
   "ikey_connectivity": "FDMSWGUJFDPKLS",
   "smiles": "COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)N(C)C)cc2NC3=O)ccc1[N+](=O)[O-]",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 24021,
   "comp_id": "U8T",
   "ikey_connectivity": "HTOKNOIQHUEHNB",
   "smiles": "O=C1CC2(CCNCC2)Oc2ccc(Br)cc21",
   "targets": [
    "UNP:P58154"
   ]
  },
  {
   "line": 2141,
   "comp_id": "3E2",
   "ikey_connectivity": "LCMDWJXBUZDEKA",
   "smiles": "O=C(O)Cn1c2ccccc2c2n[nH]c(=S)nc21",
   "targets": [
    "UNP:P15121"
   ]
  },
  {
   "line": 7920,
   "comp_id": "A1BIN",
   "ikey_connectivity": "GUFYXIGRLFFABU",
   "smiles": "Fc1ccc(-c2nn3cc(F)ccc3c2-c2ccncc2)cc1",
   "targets": [
    "UNP:A0A1D8PKB4"
   ]
  },
  {
   "line": 17844,
   "comp_id": "KMG",
   "ikey_connectivity": "KOCNIUOZWPMKDF",
   "smiles": "CCCCS(=O)(=O)Nc1ccc2n[nH]c(C)c2c1",
   "targets": [
    "UNP:P9WQD9"
   ]
  },
  {
   "line": 27781,
   "comp_id": "ZYH",
   "ikey_connectivity": "IABLYMUVWHQTGC",
   "smiles": "O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CC(N2CCN(c3ncccn3)CC2)C1",
   "targets": [
    "UNP:Q99685"
   ]
  },
  {
   "line": 2135,
   "comp_id": "3DV",
   "ikey_connectivity": "SMCZWNHNLRIBBG",
   "smiles": "Nc1ncc(-c2cccc(O)c2)nc1-c1ccc(C(=O)O)cc1",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 21094,
   "comp_id": "PQU",
   "ikey_connectivity": "QOFLFGUNPBNKDO",
   "smiles": "CC1(c2ccc(Oc3ccccc3)nc2)OC(=O)N(Nc2ccccc2)C1=O",
   "targets": [
    "UNP:P16536",
    "UNP:Q02760",
    "UNP:Q02761",
    "UNP:Q02762"
   ]
  },
  {
   "line": 187,
   "comp_id": "0CB",
   "ikey_connectivity": "NPBKHEMDWREFJJ",
   "smiles": "CC(=N)N1CCC(Oc2ccc(N(Cc3ccc4ccc(C(=N)N)cc4c3)S(=O)(=O)CC(=O)O)cc2)CC1",
   "targets": [
    "UNP:P00760"
   ]
  },
  {
   "line": 11163,
   "comp_id": "AJL",
   "ikey_connectivity": "KJLYODHJNMBXRK",
   "smiles": "COc1cc2c(cc1OC)C(Cc1c[nH]c3ccccc13)N(C=O)CC2",
   "targets": [
    "UNP:Q08499"
   ]
  },
  {
   "line": 15483,
   "comp_id": "H6O",
   "ikey_connectivity": "OLZJTRCFEVMRFD",
   "smiles": "CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(O)CO",
   "targets": [
    "UNP:P9WNX1"
   ]
  },
  {
   "line": 9673,
   "comp_id": "A1IBN",
   "ikey_connectivity": "BEBLURJWHJAXSU",
   "smiles": "CCc1cc(N=Nc2ccc(C)c(O)c2)cc(CC)c1OC",
   "targets": [
    "UNP:P81947",
    "UNP:Q6B856"
   ]
  },
  {
   "line": 23550,
   "comp_id": "TG6",
   "ikey_connectivity": "GSXOAOHZAIYLCY",
   "smiles": "O=C(CO)C(O)C(O)C(O)COP(=O)(O)O",
   "targets": [
    "UNP:A0A7S7FMU0",
    "UNP:A0ABF7SXF6",
    "UNP:F5H948"
   ]
  },
  {
   "line": 11230,
   "comp_id": "AO3",
   "ikey_connectivity": "MDWNFWDBQGOKNZ",
   "smiles": "CC(=O)NC1C(OC2C(CO)OC(OC3C(O)C4N=C(N(C)C)OC4C3CO)C(NC(C)=O)C2O)OC(CO)C(O)C1O",
   "targets": [
    "UNP:A8GFD6"
   ]
  },
  {
   "line": 20835,
   "comp_id": "PAM",
   "ikey_connectivity": "SECPZKHBENQXJG",
   "smiles": "CCCCCCC=CCCCCCCCC(=O)O",
   "targets": [
    "UNP:A0A076EAP1",
    "UNP:A0A076EAR3",
    "UNP:A0A0K0MJ13",
    "UNP:A0A140ESD0",
    "UNP:A0A5P4NAS4",
    "UNP:A0A5P4NAV9",
    "UNP:A0A5P4NB29",
    "UNP:A0A5P4ND48",
    "UNP:A0A5P4NEE0",
    "UNP:A0A7G4RNN0",
    "UNP:A0AAD5DLH1",
    "UNP:A0AAD5DNU0",
    "UNP:A0AAD5DXI2",
    "UNP:A0AAD5DZE4",
    "UNP:A0AAD5E2W2",
    "UNP:A0AAD5H2N2",
    "UNP:A0AAD5H446",
    "UNP:A0AAD5H4X0",
    "UNP:A2CHR7",
    "UNP:A2IA89",
    "UNP:A5F384",
    "UNP:A9NJW3",
    "UNP:A9NKM0",
    "UNP:A9NKX0",
    "UNP:A9NLC2",
    "UNP:A9NRV4",
    "UNP:A9NTS2",
    "UNP:B9W4V6",
    "UNP:C4N147",
    "UNP:O00755",
    "UNP:O31440",
    "UNP:O67648",
    "UNP:O75581",
    "UNP:O95980",
    "UNP:P05413",
    "UNP:P14779",
    "UNP:P18177",
    "UNP:P19490",
    "UNP:P19491",
    "UNP:P19656",
    "UNP:P27797",
    "UNP:P28026",
    "UNP:P30518",
    "UNP:P41221",
    "UNP:P43652",
    "UNP:P46091",
    "UNP:P49407",
    "UNP:P50155",
    "UNP:P56327",
    "UNP:P56339",
    "UNP:P56348",
    "UNP:P56704",
    "UNP:Q0IQK9",
    "UNP:Q0ZVX5",
    "UNP:Q13467",
    "UNP:Q14332",
    "UNP:Q16873",
    "UNP:Q1HRL7",
    "UNP:Q40771",
    "UNP:Q5T9L3",
    "UNP:Q5YD59",
    "UNP:Q61091",
    "UNP:Q6P988",
    "UNP:Q6SVB5",
    "UNP:Q6ZWS4",
    "UNP:Q7BGC0",
    "UNP:Q8VHW5",
    "UNP:Q9F5Q9",
    "UNP:Q9H237",
    "UNP:Q9V6K3",
    "UNP:R4ZGS4",
    "UNP:R4ZGS7",
    "UNP:R4ZGT1",
    "UNP:R4ZGT7",
    "UNP:R4ZGU2",
    "UNP:R4ZGV2",
    "UNP:R4ZGW6",
    "UNP:R4ZGX1",
    "UNP:R4ZGX6",
    "UNP:R4ZGX8",
    "UNP:R4ZGY5",
    "UNP:R4ZGZ0",
    "UNP:S5RJN4",
    "UNP:W8SIQ3",
    "UNP:W8SIR2",
    "UNP:W8SIT0",
    "UNP:W8SKL0",
    "UNP:W8SU91",
    "UNP:W8SYD4",
    "UNP:W8TIH6",
    "UNP:W8TIK4"
   ]
  },
  {
   "line": 16694,
   "comp_id": "J1G",
   "ikey_connectivity": "IJAKDBBGOMXMQH",
   "smiles": "O=C(NC(C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)C1CCCC1",
   "targets": [
    "UNP:O96935"
   ]
  },
  {
   "line": 13323,
   "comp_id": "E27",
   "ikey_connectivity": "APUFNRAMLCSAKF",
   "smiles": "NS(=O)(=O)c1cc(C(=O)CSc2nc3cnc4ccccc4c3[nH]2)ccc1Cl",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 11159,
   "comp_id": "AJF",
   "ikey_connectivity": "KLOCVZYWJLNHFL",
   "smiles": "COC(=O)C(Cc1ccccc1)NC(=O)c1cccc(C(C)=O)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 9061,
   "comp_id": "A1EF2",
   "ikey_connectivity": "ATCICVFRSJQYDV",
   "smiles": "CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C",
   "targets": [
    "UNP:P0C0X9",
    "UNP:P0C0Y1",
    "UNP:P0C0Y7",
    "UNP:P0C0Y8",
    "UNP:P0C0Y9",
    "UNP:Q7B2Z6",
    "UNP:U5NME9"
   ]
  },
  {
   "line": 16247,
   "comp_id": "IFA",
   "ikey_connectivity": "ZMRRBWRMQPQQAN",
   "smiles": "COC(=O)CCNC(=O)c1cc(-c2ccc(F)cc2F)cc(I)c1O",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 18207,
   "comp_id": "L54",
   "ikey_connectivity": "QJHOMBPUEUGKSC",
   "smiles": "CN(O)C(=O)CC(CCCc1ccc(C(F)(F)F)cc1)CP(=O)(O)O",
   "targets": [
    "UNP:Q8IKG4"
   ]
  },
  {
   "line": 3073,
   "comp_id": "4UO",
   "ikey_connectivity": "UBORTCNDUKBEOP",
   "smiles": "O=c1[nH]c(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1",
   "targets": [
    "UNP:P16094",
    "UNP:Q94BU8",
    "UNP:Q97W22"
   ]
  },
  {
   "line": 12743,
   "comp_id": "D4M",
   "ikey_connectivity": "XLPGURCDSRIXFL",
   "smiles": "Cc1cn(C2C=CC(COP(=O)(O)O)O2)c(=O)[nH]c1=O",
   "targets": [
    "UNP:Q9NPB1"
   ]
  },
  {
   "line": 22436,
   "comp_id": "RNV",
   "ikey_connectivity": "IQQWKKVZCVYLKR",
   "smiles": "CCN(CC)CCNC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3",
   "targets": [
    "UNP:P9WFK7"
   ]
  },
  {
   "line": 12906,
   "comp_id": "DDD",
   "ikey_connectivity": "FNEMNSFAPZMNDP",
   "smiles": "O=C(O)CNC(=O)C1CSCN2CN1C(=O)CCC2C(=O)O",
   "targets": [
    "UNP:P16152"
   ]
  },
  {
   "line": 22989,
   "comp_id": "SI3",
   "ikey_connectivity": "KBGAYAKRZNYFFG",
   "smiles": "CC(=O)NC(C(O)CC(=O)C(=O)O)C(O)C(O)C(O)CO",
   "targets": [
    "UNP:A7B555",
    "UNP:P0A6L4",
    "UNP:Q9CKB0"
   ]
  },
  {
   "line": 5198,
   "comp_id": "7PX",
   "ikey_connectivity": "VUQQJEHSKZCJDR",
   "smiles": "CC(C)C(=O)N1CC(NC(=O)C2CC(F)CN2)CC1C(=O)NCc1ccc(C#Cc2ccccc2)cc1",
   "targets": [
    "UNP:P0A725",
    "UNP:P47205"
   ]
  },
  {
   "line": 661,
   "comp_id": "14X",
   "ikey_connectivity": "JPBCSPCBFLTTPI",
   "smiles": "CN1Cc2cc(S(=O)(=O)N3CCCC3)ccc2NC1=O",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 8521,
   "comp_id": "A1CIP",
   "ikey_connectivity": "IVYXIZSSLAKIFL",
   "smiles": "CCC1CCN(C2CCC2)CC1C(=O)c1ccc2c(CC#N)c(OC)ccc2c1",
   "targets": [
    "UNP:Q9Y2K7"
   ]
  },
  {
   "line": 19580,
   "comp_id": "NE4",
   "ikey_connectivity": "NIKHGUQULKYIGE",
   "smiles": "C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3",
   "targets": [
    "UNP:A0A0M2KDV0"
   ]
  },
  {
   "line": 13686,
   "comp_id": "EJF",
   "ikey_connectivity": "BRIFXLOFHLLUBS",
   "smiles": "CC(C)CC(NC(=O)C(NC(=O)c1cc2ccccc2[nH]1)C(C)C)C(=O)NC(C=O)CC1CCNC1=O",
   "targets": [
    "UNP:P0C6X7"
   ]
  },
  {
   "line": 6587,
   "comp_id": "9MB",
   "ikey_connectivity": "URNXTVXZHNOBRL",
   "smiles": "Oc1cc(Oc2cccc(-c3cccc(O)c3F)n2)ccc1F",
   "targets": [
    "UNP:Q9BPX1"
   ]
  },
  {
   "line": 136,
   "comp_id": "097",
   "ikey_connectivity": "OCSMOTCMPXTDND",
   "smiles": "CNC(=O)C(NC(=O)C(CC(C)C)C(O)C(=O)NO)C(C)(C)C",
   "targets": [
    "UNP:Q9BZ11",
    "UNP:Q9UNA0"
   ]
  },
  {
   "line": 1632,
   "comp_id": "2KL",
   "ikey_connectivity": "WJUNQSYQHHIVFX",
   "smiles": "CCNC(=O)c1cc2c(-c3cc(OCCN4CCCC4)c(Cl)cc3Cl)nc(N)nc2s1",
   "targets": [
    "UNP:P46598"
   ]
  },
  {
   "line": 1680,
   "comp_id": "2O5",
   "ikey_connectivity": "CJQFUKZLNADPJB",
   "smiles": "O=C(O)Cc1ccc(Nc2nc(-c3cccc(Cl)c3)nc(C3CC3)n2)cc1",
   "targets": [
    "UNP:Q07343"
   ]
  },
  {
   "line": 676,
   "comp_id": "15V",
   "ikey_connectivity": "YLBXBHSEZZNJPX",
   "smiles": "Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2cccc(Cl)c2)n1",
   "targets": [
    "UNP:O60674"
   ]
  },
  {
   "line": 11094,
   "comp_id": "AF9",
   "ikey_connectivity": "HLWURFKMDLAKOD",
   "smiles": "COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O",
   "targets": [
    "UNP:P56373",
    "UNP:Q9UBL9"
   ]
  },
  {
   "line": 294,
   "comp_id": "0JQ",
   "ikey_connectivity": "PPAWFHDEPAUENY",
   "smiles": "COc1cc2nncc(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)c2cc1OC",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 11471,
   "comp_id": "B2S",
   "ikey_connectivity": "LINOMUASTDIRTM",
   "smiles": "CC1=CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(O)C1=O",
   "targets": [
    "UNP:O42692",
    "UNP:Q7XT97"
   ]
  },
  {
   "line": 11628,
   "comp_id": "BAW",
   "ikey_connectivity": "LSNAMSAWSQUHGB",
   "smiles": "CCc1cc(-c2[nH]nc(C)c2-c2ccccc2F)c(O)cc1O",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 14462,
   "comp_id": "FPQ",
   "ikey_connectivity": "SLQQIKXGDCLCGX",
   "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)O",
   "targets": [
    "UNP:A0A011"
   ]
  },
  {
   "line": 16531,
   "comp_id": "IUZ",
   "ikey_connectivity": "FNGVCCDFSOXCFD",
   "smiles": "CNc1nc(Cl)nc2c1ncn2CC1CCCCC1",
   "targets": [
    "UNP:Q96MU7"
   ]
  },
  {
   "line": 16274,
   "comp_id": "IGW",
   "ikey_connectivity": "IOYJTSXZJKAYPP",
   "smiles": "CN(CCF)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 24117,
   "comp_id": "UDY",
   "ikey_connectivity": "CKLUPEBKNDQOFT",
   "smiles": "Fc1ccc2nc(Nc3nc(-c4ccccn4)cs3)sc2c1",
   "targets": [
    "UNP:P9WMC1"
   ]
  },
  {
   "line": 15001,
   "comp_id": "GGU",
   "ikey_connectivity": "SDAWPVIWTVUTCC",
   "smiles": "Nc1nnc(-c2ccccc2O)cc1-c1ccccc1",
   "targets": [
    "UNP:P51532"
   ]
  },
  {
   "line": 5473,
   "comp_id": "82L",
   "ikey_connectivity": "IFXPEJAGKQFBER",
   "smiles": "CCn1cncc1Cn1c(CN2CCC(c3cccc(OCc4ccc(F)cc4F)n3)CC2)nc2ccc(C(=O)O)cc21",
   "targets": [
    "UNP:P43220"
   ]
  },
  {
   "line": 12138,
   "comp_id": "C5P",
   "ikey_connectivity": "IERHLVCPSMICTF",
   "smiles": "Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1",
   "targets": [
    "UNP:A0A0H2Z2W8",
    "UNP:A0A0H3FPU4",
    "UNP:A0A179D1D1",
    "UNP:A0A401FT36",
    "UNP:A0A401FT52",
    "UNP:A0A854BIM6",
    "UNP:A0R2K6",
    "UNP:A0R560",
    "UNP:A5LHX0",
    "UNP:A8QYL1",
    "UNP:B1MKD5",
    "UNP:B2FSF8",
    "UNP:B4EC22",
    "UNP:B4Y380",
    "UNP:B4Y381",
    "UNP:B5XU49",
    "UNP:D9J2T9",
    "UNP:K9UUI6",
    "UNP:O04379",
    "UNP:O25664",
    "UNP:O26232",
    "UNP:O27985",
    "UNP:O43414",
    "UNP:O57978",
    "UNP:O66663",
    "UNP:O67099",
    "UNP:P00669",
    "UNP:P06282",
    "UNP:P0A6I0",
    "UNP:P11954",
    "UNP:P15907",
    "UNP:P20425",
    "UNP:P21589",
    "UNP:P24021",
    "UNP:P30850",
    "UNP:P33469",
    "UNP:P42216",
    "UNP:P49773",
    "UNP:P57708",
    "UNP:P62617",
    "UNP:P63807",
    "UNP:P72097",
    "UNP:Q02745",
    "UNP:Q06756",
    "UNP:Q15KI8",
    "UNP:Q38DE2",
    "UNP:Q3JRA0",
    "UNP:Q5L0U0",
    "UNP:Q5SHR6",
    "UNP:Q5SKR5",
    "UNP:Q5SKW1",
    "UNP:Q5SL35",
    "UNP:Q6JP77",
    "UNP:Q6U8B0",
    "UNP:Q8IEE9",
    "UNP:Q8RQE7",
    "UNP:Q8RQE8",
    "UNP:Q8RQE9",
    "UNP:Q8RQP5",
    "UNP:Q8TZE0",
    "UNP:Q91XB0",
    "UNP:Q96662",
    "UNP:Q96LI5",
    "UNP:Q99447",
    "UNP:Q99IB8",
    "UNP:Q9BZX2",
    "UNP:Q9CAK8",
    "UNP:Q9D020",
    "UNP:Q9HB07",
    "UNP:Q9HUM0",
    "UNP:Q9LAK3",
    "UNP:Q9PM68",
    "UNP:Q9UJ37",
    "UNP:Q9UKV8",
    "UNP:U5WZP7"
   ]
  },
  {
   "line": 16,
   "comp_id": "027",
   "ikey_connectivity": "VLOGKAVNBJBYON",
   "smiles": "Cc1cc(Nc2nn(C(C)C)c(=O)c3cc(N4CCN(C)CC4)ccc23)n[nH]1",
   "targets": [
    "UNP:Q06187"
   ]
  },
  {
   "line": 21656,
   "comp_id": "QL2",
   "ikey_connectivity": "SZYYBVWPURUFRR",
   "smiles": "CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(C#N)nc21",
   "targets": [
    "UNP:P25779"
   ]
  },
  {
   "line": 16460,
   "comp_id": "IQV",
   "ikey_connectivity": "GXJIFDOCCFNCBK",
   "smiles": "Cc1ncc(C)n2nc(C=Cc3nc(-c4cn[nH]c4)nn3C)nc12",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 20591,
   "comp_id": "OYH",
   "ikey_connectivity": "HYJWOPNEPKVJHA",
   "smiles": "O=C(O)c1ccc(Nc2c(-c3ccccc3)nc3cc(-c4ccccc4)ccn23)cc1C(=O)O",
   "targets": [
    "UNP:Q9NUW8"
   ]
  },
  {
   "line": 25997,
   "comp_id": "X8N",
   "ikey_connectivity": "YSQNVTHQOQFUOS",
   "smiles": "CC(OC(Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)Nc1nnn[nH]1)C(=O)O",
   "targets": [
    "UNP:P61964"
   ]
  },
  {
   "line": 5602,
   "comp_id": "895",
   "ikey_connectivity": "ACEFOQMQINFMRW",
   "smiles": "CC(C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)C=Cc2ccc(Cl)s2)C1=O",
   "targets": [
    "UNP:P00734",
    "UNP:P00742",
    "UNP:P28507"
   ]
  },
  {
   "line": 11473,
   "comp_id": "B2X",
   "ikey_connectivity": "FPTCGMGLTQPTGE",
   "smiles": "CSc1nc(N)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 21986,
   "comp_id": "R15",
   "ikey_connectivity": "WYYQITAYQRQOJA",
   "smiles": "O=C(NCCCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1",
   "targets": [
    "UNP:P09467"
   ]
  },
  {
   "line": 16050,
   "comp_id": "I3H",
   "ikey_connectivity": "ZOEBAQBSIASRNL",
   "smiles": "NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2CCc1ccc(Cl)c(Cl)c1",
   "targets": [
    "UNP:O00329",
    "UNP:P23727"
   ]
  },
  {
   "line": 16387,
   "comp_id": "IMB",
   "ikey_connectivity": "JPVMIOWESIQIGB",
   "smiles": "O=P(O)(O)C(Nc1nccc2ccccc12)P(=O)(O)O",
   "targets": [
    "UNP:P45568"
   ]
  },
  {
   "line": 21762,
   "comp_id": "QQG",
   "ikey_connectivity": "KRAFQDJIYXJLQM",
   "smiles": "CN1CC2(CCN(Cc3ccc(C(=O)NO)cc3)CC2)c2ccccc21",
   "targets": [
    "UNP:F8W4B7"
   ]
  },
  {
   "line": 1142,
   "comp_id": "1TF",
   "ikey_connectivity": "CMRDSXPYXCUXMI",
   "smiles": "CCCCCCCCCCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:B1XKC6"
   ]
  },
  {
   "line": 3122,
   "comp_id": "4WX",
   "ikey_connectivity": "",
   "smiles": "N#[C-]->[Fe]12(<-[C-]#[O+])<-[C-2](=O)->[Fe]3(<-[C-]#N)(<-[C-]#[O+])<-[S-]->1CSC[S-]->2->3",
   "targets": [
    "UNP:P29166"
   ]
  },
  {
   "line": 17946,
   "comp_id": "KS9",
   "ikey_connectivity": "TXYUIZZOGVQKQF",
   "smiles": "CCC(C)C(NC(=O)OCc1ccccc1)C(C)=O",
   "targets": [
    "UNP:I6Y9J2"
   ]
  },
  {
   "line": 12736,
   "comp_id": "D4D",
   "ikey_connectivity": "LXCAIISEDMYORY",
   "smiles": "Cc1cn(C2C=CC(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O",
   "targets": [
    "UNP:P22887"
   ]
  },
  {
   "line": 12485,
   "comp_id": "CPO",
   "ikey_connectivity": "",
   "smiles": "CC(=O)NC1CCCN2[O-]->[Fe]345(<-[O]=C(C=C(C)CCO)N(CCCC6NC(=O)C(CCCN([O-]->3)C(C=C(C)CCOC1=O)=[O]->4)NC6=O)[O-]->5)<-[O]=C2C=C(C)CCO",
   "targets": [
    "UNP:P07822"
   ]
  },
  {
   "line": 27523,
   "comp_id": "ZJG",
   "ikey_connectivity": "ZHHNNRKFJHSDBT",
   "smiles": "COc1ccc2nc(C)c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6(C)CC6)CC5C=CCCCCCC(NC(=O)OC5CCC5)C(=O)N4C3)nc2c1",
   "targets": [
    "UNP:P26664"
   ]
  },
  {
   "line": 3725,
   "comp_id": "5QN",
   "ikey_connectivity": "HFLCQGIXUOKAGP",
   "smiles": "CCOc1ccc(C(C)=O)cc1NC(=O)c1ccc(OCCN2CC=NCC2)c(C(=O)OC)c1",
   "targets": [
    "UNP:Q92793"
   ]
  },
  {
   "line": 22119,
   "comp_id": "R7D",
   "ikey_connectivity": "MMSMEDXVHMERGZ",
   "smiles": "O=C(NCc1ccccn1)C(CS)NC(=O)C(O)c1ccc(C(F)(F)F)cc1",
   "targets": [
    "UNP:O14965",
    "UNP:Q9ULW0"
   ]
  },
  {
   "line": 9933,
   "comp_id": "A1IOS",
   "ikey_connectivity": "LKAJKIOFIWVMDJ",
   "smiles": "CC12Cc3c[nH]nc3CC1CCC1C2CCC2(C)C1CCC2(C)O",
   "targets": [
    "UNP:P36639"
   ]
  },
  {
   "line": 24253,
   "comp_id": "UKZ",
   "ikey_connectivity": "MQQHOEONXLJMLA",
   "smiles": "CCCC(NC(=O)c1cccc2c1CC(=O)N2)C(O)c1cccc(Cl)c1C",
   "targets": [
    "UNP:P01009"
   ]
  },
  {
   "line": 23150,
   "comp_id": "SRE",
   "ikey_connectivity": "VGKDLMBJGBXTGI",
   "smiles": "CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21",
   "targets": [
    "UNP:O67854",
    "UNP:P07195",
    "UNP:P0CG48",
    "UNP:Q05320",
    "UNP:Q93009"
   ]
  },
  {
   "line": 12470,
   "comp_id": "COP",
   "ikey_connectivity": "NYQPLPNEESYGNO",
   "smiles": "Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2n1",
   "targets": [
    "UNP:P41440"
   ]
  },
  {
   "line": 17414,
   "comp_id": "K0R",
   "ikey_connectivity": "GWSNRQDCTSDALC",
   "smiles": "Cc1nn(C)c(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)c1Cl",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 17710,
   "comp_id": "KFO",
   "ikey_connectivity": "NKVOVXCTBXCROL",
   "smiles": "O=c1ccn(-c2cccc(OC(F)(F)F)c2)nc1-c1ccnn1-c1cccc(F)c1",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 16858,
   "comp_id": "J9I",
   "ikey_connectivity": "NXMIBBNDQZPGDZ",
   "smiles": "Cc1ccc(-c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2nccc(N)n2)cs1",
   "targets": [
    "UNP:P27707"
   ]
  },
  {
   "line": 21375,
   "comp_id": "Q7P",
   "ikey_connectivity": "OCPAQIZKGXRILZ",
   "smiles": "CC(=O)C=Nc1c(NCCCCO)[nH]c(=O)[nH]c1=O",
   "targets": [
    "UNP:P61769",
    "UNP:Q95460"
   ]
  },
  {
   "line": 8695,
   "comp_id": "A1CSJ",
   "ikey_connectivity": "CLILBXPIVDSDDS",
   "smiles": "COc1ccc(F)cc1C(=O)NCc1ccc(-n2ncc(Nc3ccc(N4CCN(C5COC5)CC4C)c(C(C)O)n3)c2C(N)=O)cc1",
   "targets": [
    "UNP:Q06187"
   ]
  },
  {
   "line": 21228,
   "comp_id": "Q0F",
   "ikey_connectivity": "LEFRLETVDBIZOP",
   "smiles": "C=CCCC(=O)OC1CC(=O)N(C)c2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(=O)N2)C(C)C2OC12C",
   "targets": [
    "UNP:A0A8V0Z8P0",
    "UNP:P63043",
    "UNP:P81947",
    "UNP:Q6B856"
   ]
  },
  {
   "line": 24140,
   "comp_id": "UEY",
   "ikey_connectivity": "PCFOKFFOSYNQNP",
   "smiles": "Nc1cc(C(Cc2ccccc2)c2ccccc2)c2nn[nH]c2n1",
   "targets": [
    "UNP:P05164"
   ]
  },
  {
   "line": 23711,
   "comp_id": "TQD",
   "ikey_connectivity": "JJWPLCQODKLEHY",
   "smiles": "COc1cc(N(C)CC2CCC3=C(C2)C(N)=NC(N)N3)cc(OC)c1OC",
   "targets": [
    "UNP:P00374"
   ]
  },
  {
   "line": 23403,
   "comp_id": "T70",
   "ikey_connectivity": "ZYSCOUXLBXGGIM",
   "smiles": "Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl",
   "targets": [
    "UNP:O60939",
    "UNP:Q07699",
    "UNP:Q15858"
   ]
  },
  {
   "line": 5285,
   "comp_id": "7TW",
   "ikey_connectivity": "GOMFPMNFGUSIKQ",
   "smiles": "O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2ccccc12",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 8778,
   "comp_id": "A1CYZ",
   "ikey_connectivity": "CHQCHJWWSCSGOJ",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC(=O)C(N)CS)C(O)C1O",
   "targets": [
    "UNP:Q8IJP3"
   ]
  },
  {
   "line": 461,
   "comp_id": "0TF",
   "ikey_connectivity": "AOOVWOOUTNDWMA",
   "smiles": "NCCCC(N)C(=O)NCCCCC(N)C(=O)O",
   "targets": [
    "UNP:Q46E79",
    "UNP:Q46E80"
   ]
  },
  {
   "line": 3682,
   "comp_id": "5NX",
   "ikey_connectivity": "IHSJKXMUPLBBMG",
   "smiles": "Nc1nc2c(c(=O)[nH]1)[n+](Cc1cccc(Cl)c1)cn2C1OC(CNc2c(O)c(=O)c2=O)C(O)C1O",
   "targets": [
    "UNP:P06730",
    "UNP:Q04637"
   ]
  },
  {
   "line": 6879,
   "comp_id": "A05",
   "ikey_connectivity": "HDIHNBCCQWMVBW",
   "smiles": "O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1",
   "targets": [
    "UNP:P0AE18"
   ]
  },
  {
   "line": 26786,
   "comp_id": "YAR",
   "ikey_connectivity": "BRPPVXUZMWRMGM",
   "smiles": "CCSCCC(=NC=C1C(COP(=O)(O)O)=CNC(C)=C1O)C(=O)O",
   "targets": [
    "UNP:P28796"
   ]
  },
  {
   "line": 8411,
   "comp_id": "A1CAV",
   "ikey_connectivity": "PMZFUWXTXQRRQU",
   "smiles": "O=C1CCC(N2Cc3c(ccc4c3OCC43CCNCC3)C2=O)C(=O)N1",
   "targets": [
    "UNP:Q96SW2"
   ]
  },
  {
   "line": 23955,
   "comp_id": "U5P",
   "ikey_connectivity": "DJJCXFVJDGTHFX",
   "smiles": "O=c1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1",
   "targets": [
    "UNP:A0A0H2URF8",
    "UNP:A0A0J9WZA6",
    "UNP:A0A1S2XDD2",
    "UNP:A9IH93",
    "UNP:B2FSF8",
    "UNP:C1IFD2",
    "UNP:C3W5S0",
    "UNP:H9CZL7",
    "UNP:K5B7Z4",
    "UNP:L0CTV4",
    "UNP:O04379",
    "UNP:O26232",
    "UNP:O26745",
    "UNP:O49839",
    "UNP:O57978",
    "UNP:O58462",
    "UNP:P00441",
    "UNP:P00469",
    "UNP:P00968",
    "UNP:P03007",
    "UNP:P08037",
    "UNP:P0A1F6",
    "UNP:P0A6F1",
    "UNP:P0A7E9",
    "UNP:P0DTC1",
    "UNP:P0DTD1",
    "UNP:P0DX98",
    "UNP:P11172",
    "UNP:P16442",
    "UNP:P17574",
    "UNP:P21589",
    "UNP:P23540",
    "UNP:P25971",
    "UNP:P33469",
    "UNP:P41007",
    "UNP:P42982",
    "UNP:P49077",
    "UNP:P49773",
    "UNP:P49902",
    "UNP:P53078",
    "UNP:P61823",
    "UNP:P77398",
    "UNP:P9WJ73",
    "UNP:Q38834",
    "UNP:Q38DE2",
    "UNP:Q47VZ4",
    "UNP:Q48485",
    "UNP:Q58830",
    "UNP:Q5SLP1",
    "UNP:Q72JJ7",
    "UNP:Q7TG18",
    "UNP:Q86MV5",
    "UNP:Q8B3M2",
    "UNP:Q8IJH3",
    "UNP:Q91XB0",
    "UNP:Q95Z12",
    "UNP:Q96662",
    "UNP:Q96AZ6",
    "UNP:Q97ZE2",
    "UNP:Q980Q4",
    "UNP:Q9BQ65",
    "UNP:Q9D020",
    "UNP:Q9HB07",
    "UNP:Q9HUF6",
    "UNP:Q9HUM0",
    "UNP:Q9KQT7",
    "UNP:Q9M9P3",
    "UNP:Q9NPB1",
    "UNP:Q9Q0U9",
    "UNP:Q9SVY5",
    "UNP:Q9UKV8",
    "UNP:Q9VCU9",
    "UNP:Q9VJY9",
    "UNP:Q9WZI0",
    "UNP:W0TCJ5"
   ]
  },
  {
   "line": 26772,
   "comp_id": "YA3",
   "ikey_connectivity": "RXKCXGDDGPGXLS",
   "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)NCc1cn(CCCCNC(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn1)c1nnc(C)n1-2",
   "targets": [
    "UNP:P25440"
   ]
  },
  {
   "line": 10942,
   "comp_id": "A4P",
   "ikey_connectivity": "ZKRKFZJAQKKHKL",
   "smiles": "Nc1nc2c(c(=O)[nH]1)N=C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(N)ncnc43)C(O)C1O)CN2",
   "targets": [
    "UNP:P26281"
   ]
  },
  {
   "line": 11698,
   "comp_id": "BFB",
   "ikey_connectivity": "LWFFSSMDFWZNNW",
   "smiles": "CC(=N)NCCCC(NC(=O)c1ccccc1)C(N)=O",
   "targets": [
    "UNP:Q9RQJ2",
    "UNP:Q9UM07"
   ]
  },
  {
   "line": 17195,
   "comp_id": "JQD",
   "ikey_connectivity": "RYDULTLYDAYDHF",
   "smiles": "COc1ccc2c(c1)OCC1CN3C(=O)CCN3C21",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 8335,
   "comp_id": "A1C32",
   "ikey_connectivity": "UBYLLFKKLKCIMX",
   "smiles": "O=C(COc1ccc(Cl)cc1)NC1COC2C(NC(=O)COc3ccc(Cl)cc3)COC12",
   "targets": [
    "UNP:P49770",
    "UNP:Q14232",
    "UNP:Q9UI10"
   ]
  },
  {
   "line": 8589,
   "comp_id": "A1CLJ",
   "ikey_connectivity": "DQCKKXVULJGBQN",
   "smiles": "O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5",
   "targets": [
    "UNP:P41143",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096"
   ]
  },
  {
   "line": 20482,
   "comp_id": "OSJ",
   "ikey_connectivity": "AGWWSGQCTLAMKS",
   "smiles": "CCOc1ccc(-c2ccc3c(C)cc(N)nc3c2)cc1CN",
   "targets": [
    "UNP:P29474",
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 14102,
   "comp_id": "F5N",
   "ikey_connectivity": "NYOYOCWWJBDHMW",
   "smiles": "O=C(Cc1cn2ccccc2n1)Nc1ccccc1",
   "targets": [
    "UNP:P11838"
   ]
  },
  {
   "line": 13461,
   "comp_id": "E8D",
   "ikey_connectivity": "LGIWSHCSALMSPR",
   "smiles": "O=C1CN(c2ccccc2)c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N1",
   "targets": [
    "UNP:Q99986"
   ]
  },
  {
   "line": 27242,
   "comp_id": "YTZ",
   "ikey_connectivity": "JNMRHUJNCSQMMB",
   "smiles": "Nc1ccc(S(=O)(=O)Nc2nccs2)cc1",
   "targets": [
    "UNP:P35270",
    "UNP:P51449",
    "UNP:Q15596"
   ]
  },
  {
   "line": 15231,
   "comp_id": "GSZ",
   "ikey_connectivity": "YCPLHXLUOSXDJD",
   "smiles": "CC(C)C(=O)NC1c2[nH]c(CCc3ccccc3)c[n+]2C(CO)C(O)C1O",
   "targets": [
    "UNP:Q0TR53"
   ]
  },
  {
   "line": 17575,
   "comp_id": "K8S",
   "ikey_connectivity": "PMTPYUTZAJWGPE",
   "smiles": "O=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-c3ccco3)c2)CC(F)(F)C1",
   "targets": [
    "UNP:O00625"
   ]
  },
  {
   "line": 24257,
   "comp_id": "UL5",
   "ikey_connectivity": "QEPZFLZVHFIDCF",
   "smiles": "CNC(=O)c1cc(C(=O)NC2CC2C)cc(Cc2ccccc2)n1",
   "targets": [
    "UNP:P25440"
   ]
  },
  {
   "line": 17638,
   "comp_id": "KBO",
   "ikey_connectivity": "HUVCJXYEGHNBRX",
   "smiles": "CCC(C=O)(CC)C(=O)Nc1cccc(CN2CCN(Cc3cccc4cccnc34)CC2)c1",
   "targets": [
    "UNP:Q86TI2"
   ]
  },
  {
   "line": 14001,
   "comp_id": "F0G",
   "ikey_connectivity": "UPOKXKNJCNHZTH",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(C=NC(C)C(=O)O)c1O",
   "targets": [
    "UNP:A8HUA2",
    "UNP:H8Y6N2",
    "UNP:P28796",
    "UNP:P31013",
    "UNP:Q5ZX43"
   ]
  },
  {
   "line": 5077,
   "comp_id": "7KI",
   "ikey_connectivity": "",
   "smiles": "CCC1=C(CC)c2cc3c(CC)c(CC)c4[o+]c5[n]6->[Co]7(<-[n]2c1cc1c(CC)c(CC)c(cc6C(CC)=C5CC)[n-]->71)<-[n-]34",
   "targets": [
    "UNP:G3XD33"
   ]
  },
  {
   "line": 26567,
   "comp_id": "Y1G",
   "ikey_connectivity": "GRIUNLJADADECO",
   "smiles": "O=C(O)Cc1c(-c2ccccc2)oc2cc(Br)ccc12",
   "targets": [
    "UNP:P0AEG4"
   ]
  },
  {
   "line": 24129,
   "comp_id": "UEJ",
   "ikey_connectivity": "HPMLKUVOVSVMID",
   "smiles": "CSc1nc(-c2cccc(NC(=O)c3c(F)ccc(O)c3CN3C(=O)c4ccccc4C3=O)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 5956,
   "comp_id": "8R8",
   "ikey_connectivity": "PVGOQRJICUIPTG",
   "smiles": "CC(Oc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl)c1ccccn1",
   "targets": [
    "UNP:Q84HF5"
   ]
  },
  {
   "line": 19261,
   "comp_id": "MWO",
   "ikey_connectivity": "MFCBVLDAOOBZRT",
   "smiles": "O=C(O)CN1CCN(CC2CC(C3CCNCC3)=NO2)CC1",
   "targets": [
    "UNP:P05106",
    "UNP:P08514"
   ]
  },
  {
   "line": 14841,
   "comp_id": "G8H",
   "ikey_connectivity": "KXZCFXKLOSDNKK",
   "smiles": "O=C(Cc1ccc2ccccc2c1)Nc1ccccn1",
   "targets": [
    "UNP:Q9BVS4"
   ]
  },
  {
   "line": 12949,
   "comp_id": "DGB",
   "ikey_connectivity": "KPBNHDGDUADAGP",
   "smiles": "O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1",
   "targets": [
    "UNP:P43490"
   ]
  },
  {
   "line": 15184,
   "comp_id": "GQF",
   "ikey_connectivity": "HIQSGTMYVPXYRT",
   "smiles": "CC(=O)c1c(C)[nH]c(-c2csc(N3CCNCC3)n2)c1C1CCCC1",
   "targets": [
    "UNP:Q9UIF9"
   ]
  },
  {
   "line": 27750,
   "comp_id": "ZX4",
   "ikey_connectivity": "AOZGSZXCWJDLPF",
   "smiles": "Nc1nc2[nH]cc(CCCN3CCC(SCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)CC3C(=O)O)c2c(=O)[nH]1",
   "targets": [
    "UNP:P26281"
   ]
  },
  {
   "line": 21207,
   "comp_id": "PYV",
   "ikey_connectivity": "GJSDYQXOSHKOGX",
   "smiles": "O=S(=O)(NCc1ccccn1)c1ccc(Br)c2ccccc12",
   "targets": [
    "UNP:O04719",
    "UNP:O49686",
    "UNP:O80992",
    "UNP:P49597",
    "UNP:Q6EN42",
    "UNP:Q6L5H6",
    "UNP:Q8VZS8",
    "UNP:Q9SSM7"
   ]
  },
  {
   "line": 10503,
   "comp_id": "A1JVB",
   "ikey_connectivity": "HMSJFQPDVVCKLD",
   "smiles": "Cc1ccc(C#N)c(N2CC(C(=O)O)C(C(C)C)C2)n1",
   "targets": [
    "UNP:Q9NZ08"
   ]
  },
  {
   "line": 3897,
   "comp_id": "5YX",
   "ikey_connectivity": "JZYMCONNLXIIJS",
   "smiles": "CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c(-c2ccnc(CCS(C)(=O)=O)n2)s1",
   "targets": [
    "UNP:O75469"
   ]
  },
  {
   "line": 17839,
   "comp_id": "KMA",
   "ikey_connectivity": "PTOVOAJZRWYLQM",
   "smiles": "Cc1cc(N)nc(CCc2cc(F)cc(CCC3CCCN3)c2)c1",
   "targets": [
    "UNP:P29474",
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 17569,
   "comp_id": "K8B",
   "ikey_connectivity": "ZAGXDKMVGYZZKY",
   "smiles": "CC=CN1CCC(CCc2ccc(C(C)C)cc2)CC1",
   "targets": [
    "UNP:P27338"
   ]
  },
  {
   "line": 3428,
   "comp_id": "5BS",
   "ikey_connectivity": "YRDHKIFCGOZTGD",
   "smiles": "CN1C(=O)c2sccc2N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21",
   "targets": [
    "UNP:O60674",
    "UNP:Q13043",
    "UNP:Q13188"
   ]
  },
  {
   "line": 21484,
   "comp_id": "QDE",
   "ikey_connectivity": "SAHCNYAOSGATSF",
   "smiles": "COc1ncc(N2CCOc3ccc(CN(C)C)cc32)cc1NS(C)(=O)=O",
   "targets": [
    "UNP:O35904"
   ]
  },
  {
   "line": 26438,
   "comp_id": "XV3",
   "ikey_connectivity": "ARFKGOAWGZZHCX",
   "smiles": "C=C1CN2CCCC2(COc2nc(N3CCN(C(=O)C=Cc4cc(CN(C)C)c(C)cn4)CC3C)c3cc(Cl)c(-c4nc(N)cc(C)c4C(F)(F)F)c(F)c3n2)C1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 4889,
   "comp_id": "7CA",
   "ikey_connectivity": "PFVZUXQCELCLBL",
   "smiles": "COc1ccc(-c2oc3c(CCC(C)C)c(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1",
   "targets": [
    "UNP:O76074"
   ]
  },
  {
   "line": 26249,
   "comp_id": "XLQ",
   "ikey_connectivity": "MHHCFMCEGSPNMQ",
   "smiles": "Nc1nc2c(c(C(F)(F)F)n1)C(=O)N(CC1CCCC(C(F)(F)F)C1)C2",
   "targets": [
    "UNP:A0A7S7RG57"
   ]
  },
  {
   "line": 16076,
   "comp_id": "I5A",
   "ikey_connectivity": "ZFSSJWRSRMQVTI",
   "smiles": "Nc1ccn(C2OC(CI)C(O)C2O)c(=O)n1",
   "targets": [
    "UNP:Q3JRA0"
   ]
  },
  {
   "line": 22789,
   "comp_id": "S6L",
   "ikey_connectivity": "RVTAACJVJXEMFR",
   "smiles": "N#Cc1c(N)n(Cc2ccccc2)c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12",
   "targets": [
    "UNP:Q16875"
   ]
  },
  {
   "line": 23263,
   "comp_id": "SZC",
   "ikey_connectivity": "BCAADIRANQOVRJ",
   "smiles": "O=S(=O)(NC1CCCC1)c1cccc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c12",
   "targets": [
    "UNP:P34913"
   ]
  },
  {
   "line": 18018,
   "comp_id": "KVN",
   "ikey_connectivity": "DNXJDWRGEZLNKO",
   "smiles": "OCC1OC(n2nnc(-c3ccccc3)n2)C(O)C(O)C1O",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 3591,
   "comp_id": "5JJ",
   "ikey_connectivity": "XBWBLXQDIZDDLL",
   "smiles": "CCC#CCN(c1ccc2nccc(N)c2c1)c1c(Cl)cccc1Cl",
   "targets": [
    "UNP:Q8TEK3"
   ]
  },
  {
   "line": 24032,
   "comp_id": "U9L",
   "ikey_connectivity": "MFUVKDHSDIAPMH",
   "smiles": "Clc1cccc(Cn2ccc3c(N4CCNCC4)nc4ccccc4c32)c1",
   "targets": [
    "UNP:P23979"
   ]
  },
  {
   "line": 3433,
   "comp_id": "5C0",
   "ikey_connectivity": "RQOKOKQQGKYASH",
   "smiles": "O=C(C=CN1C2CCC1c1ncnc(NC3CC3)c1C2)c1ccccc1O",
   "targets": [
    "UNP:P51531"
   ]
  },
  {
   "line": 27366,
   "comp_id": "Z3N",
   "ikey_connectivity": "HUOLMBXGHHSYHC",
   "smiles": "CC1CCCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(c5nncn5C)CC(C)C4)c2)C3=O)C1",
   "targets": [
    "UNP:Q13191"
   ]
  },
  {
   "line": 15517,
   "comp_id": "H80",
   "ikey_connectivity": "PBGPFWACZLCJFH",
   "smiles": "COc1ccc2nc3c(CO)cc(OC)cc3c(SCC3CCNC3)c2c1",
   "targets": [
    "UNP:Q92630"
   ]
  },
  {
   "line": 14894,
   "comp_id": "GAZ",
   "ikey_connectivity": "RZTBZJFXQSGYRQ",
   "smiles": "COc1ccc(C(=O)C=[SH]CC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)cc1OC",
   "targets": [
    "UNP:Q9WXJ9"
   ]
  },
  {
   "line": 873,
   "comp_id": "1FJ",
   "ikey_connectivity": "OGJLQYYUYMBXNU",
   "smiles": "Cc1cccc(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2sccc23)c1C",
   "targets": [
    "UNP:P27694"
   ]
  },
  {
   "line": 2933,
   "comp_id": "4LY",
   "ikey_connectivity": "MXGPFEUZRMBECL",
   "smiles": "CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4cc(F)c(C5=CCN(C)CC5)c(F)c4)nc4[nH]ccc34)cn2)C1",
   "targets": [
    "UNP:O60674"
   ]
  },
  {
   "line": 12495,
   "comp_id": "CQA",
   "ikey_connectivity": "OVCDSSHSILBFBN",
   "smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O",
   "targets": [
    "UNP:A5K867",
    "UNP:P50135",
    "UNP:Q8IDQ9"
   ]
  },
  {
   "line": 15718,
   "comp_id": "HK1",
   "ikey_connectivity": "YXCSLEHSWRLDHG",
   "smiles": "COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(O)cc3)c1C2",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 8232,
   "comp_id": "A1BW2",
   "ikey_connectivity": "ZQHVEGQHOKDZEN",
   "smiles": "CC1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl",
   "targets": [
    "UNP:P51449"
   ]
  },
  {
   "line": 15994,
   "comp_id": "I0O",
   "ikey_connectivity": "GWCJFQXZVUXOPR",
   "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OC1OCC(N)C(O)C1O",
   "targets": [
    "UNP:O34697",
    "UNP:O34741"
   ]
  },
  {
   "line": 17203,
   "comp_id": "JQO",
   "ikey_connectivity": "IBRVWKVLICVNRM",
   "smiles": "CC(C)CC(CO)NC(=O)C(NS(=O)(=O)c1ccc(F)cc1)C(C)C",
   "targets": [
    "UNP:P07711"
   ]
  },
  {
   "line": 23448,
   "comp_id": "T9J",
   "ikey_connectivity": "NITJFOXRSHCWBE",
   "smiles": "CC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr",
   "targets": [
    "UNP:O60885",
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 17073,
   "comp_id": "JK2",
   "ikey_connectivity": "GYQLVKWGHKBDMP",
   "smiles": "COc1cc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5F)ccc43)c2)cc(OC)c1OC",
   "targets": [
    "UNP:P53779"
   ]
  },
  {
   "line": 25506,
   "comp_id": "WIU",
   "ikey_connectivity": "RUTNTFGYZLRUQX",
   "smiles": "Cn1nc(Nc2nc(NC(COC(=O)NCCN)c3ccccc3)nc3[nH]ncc23)cc1C(C)(C)C",
   "targets": [
    "UNP:Q9HW02"
   ]
  },
  {
   "line": 26212,
   "comp_id": "XJZ",
   "ikey_connectivity": "OSOFZLUZBIQDGQ",
   "smiles": "Nc1nc(N)c(OCCCOc2ccccc2CCC(=O)O)c(-c2ccc(C(F)(F)F)cc2)n1",
   "targets": [
    "UNP:A0PQG8"
   ]
  },
  {
   "line": 7691,
   "comp_id": "A1B4E",
   "ikey_connectivity": "BENGMPPJNGGMDU",
   "smiles": "NC(=O)C1CCC(=O)N(Cc2ccccc2-c2cccnc2)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 19203,
   "comp_id": "MTX",
   "ikey_connectivity": "FBOZXECLQNJBKD",
   "smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1",
   "targets": [
    "UNP:A0A1P6CBU1",
    "UNP:A0A3N4BLI0",
    "UNP:C3TR70",
    "UNP:O15439",
    "UNP:O23254",
    "UNP:O76290",
    "UNP:P00374",
    "UNP:P00375",
    "UNP:P04818",
    "UNP:P0A017",
    "UNP:P0A6G7",
    "UNP:P0A6H1",
    "UNP:P0A884",
    "UNP:P0ABE7",
    "UNP:P0ABQ4",
    "UNP:P13922",
    "UNP:P14207",
    "UNP:P41440",
    "UNP:P82610",
    "UNP:P9WNX1",
    "UNP:Q01782",
    "UNP:Q0PA35",
    "UNP:Q14914",
    "UNP:Q54801",
    "UNP:Q60034",
    "UNP:Q6NY42",
    "UNP:Q70YQ6",
    "UNP:Q81R22",
    "UNP:Q834R3",
    "UNP:Q83AB2",
    "UNP:Q8I814",
    "UNP:Q94C74"
   ]
  },
  {
   "line": 7005,
   "comp_id": "A1A4N",
   "ikey_connectivity": "SVZJAEKNWSLNJR",
   "smiles": "CCn1c(CO)nn(-c2cc3c(C(C)C)nn(-c4ccccc4C)c(=O)c3cc2F)c1=O",
   "targets": [
    "UNP:Q02127"
   ]
  },
  {
   "line": 25868,
   "comp_id": "X2D",
   "ikey_connectivity": "SLFXGXAWJWFFCO",
   "smiles": "Cc1cc(N)nc(CC2CNCC2OCCNC2CC2c2cccc(Cl)c2)c1",
   "targets": [
    "UNP:P29473",
    "UNP:P29476"
   ]
  },
  {
   "line": 5304,
   "comp_id": "7UN",
   "ikey_connectivity": "XXCYDSDPIJJBSI",
   "smiles": "Cn1cc2cc(-n3cc4cnc(NCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1",
   "targets": [
    "UNP:P31153"
   ]
  },
  {
   "line": 24947,
   "comp_id": "VLA",
   "ikey_connectivity": "QECVBNUHIUCZFO",
   "smiles": "Nc1nc(N)c2c(n1)CCC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)=N2",
   "targets": [
    "UNP:P0A884"
   ]
  },
  {
   "line": 18916,
   "comp_id": "M8P",
   "ikey_connectivity": "YJXSIZXIPBKFHB",
   "smiles": "O=C(N=C1NC(=O)C2(OC(CO)C(O)C(O)C2O)S1)c1ccc2ccccc2c1",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 26403,
   "comp_id": "XTC",
   "ikey_connectivity": "IEJWCNPEOOQYLP",
   "smiles": "CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(ccc([N+](=O)[O-])c4O)CC3CC12",
   "targets": [
    "UNP:P0ACT4"
   ]
  },
  {
   "line": 427,
   "comp_id": "0RF",
   "ikey_connectivity": "GRZXWCHAXNAUHY",
   "smiles": "CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1",
   "targets": [
    "UNP:P31749"
   ]
  },
  {
   "line": 20174,
   "comp_id": "OB5",
   "ikey_connectivity": "DGXXRQNAGODTPD",
   "smiles": "CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 10350,
   "comp_id": "A1JIP",
   "ikey_connectivity": "SUPKORZPHWIYLQ",
   "smiles": "CCN(C)C(=O)C(SC1OC(CO)C(O)C(n2cc(-c3cc(F)c(F)c(F)c3)nn2)C1O)C1(O)CCOCC1",
   "targets": [
    "UNP:P17931"
   ]
  },
  {
   "line": 9859,
   "comp_id": "A1ILT",
   "ikey_connectivity": "JJQWSFTXAIAWHD",
   "smiles": "NC(CNC(=O)C1=[SH]c2c(Br)ccc(F)c2C1)C(=O)O",
   "targets": [
    "UNP:Q05586"
   ]
  },
  {
   "line": 7698,
   "comp_id": "A1B4P",
   "ikey_connectivity": "MATXBLKTWRNYBE",
   "smiles": "CSc1ccccc1CC(=O)N1CCCC(O)(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 19233,
   "comp_id": "MV7",
   "ikey_connectivity": "RSTFVOGBJGGSOD",
   "smiles": "COCCOC(CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NC(C(=O)NCc1ccccc1)C(C)C",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 286,
   "comp_id": "0JG",
   "ikey_connectivity": "ZJERBAYUHUAUBE",
   "smiles": "COC(=O)C(C#N)Cc1c(-c2ccc(C)cc2)c2c(N)ncnc2n1C=CCO",
   "targets": [
    "UNP:P51812"
   ]
  },
  {
   "line": 23678,
   "comp_id": "TOP",
   "ikey_connectivity": "IEDVJHCEMCRBQM",
   "smiles": "COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC",
   "targets": [
    "UNP:A0A3N4BLI0",
    "UNP:A0AAW9D207",
    "UNP:A4GRC7",
    "UNP:O30463",
    "UNP:P00374",
    "UNP:P0A017",
    "UNP:P0ABQ4",
    "UNP:P13955",
    "UNP:P71968",
    "UNP:P9WNX1",
    "UNP:Q83AB2"
   ]
  },
  {
   "line": 7743,
   "comp_id": "A1B6B",
   "ikey_connectivity": "NSXJPJIBAXHMJJ",
   "smiles": "Cc1ccccc1CC(=O)N1CC2CC(C(N)=O)(C2)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 16627,
   "comp_id": "IYL",
   "ikey_connectivity": "JWWZUBNFGVWRTE",
   "smiles": "CN(C)c1ccc2c(-c3cc(C(=O)NCCOCCOCCCCCO)ccc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1",
   "targets": [
    "UNP:P0A3G3"
   ]
  },
  {
   "line": 17431,
   "comp_id": "K1H",
   "ikey_connectivity": "YCFRZMCRPHNZOC",
   "smiles": "COC(=O)N1CCN(C2CCC(Nc3ncnc4ccc(C#N)cc34)CC2)CC1",
   "targets": [
    "UNP:Q9NWZ3"
   ]
  },
  {
   "line": 14518,
   "comp_id": "FSS",
   "ikey_connectivity": "MROKTXFTKSWSMO",
   "smiles": "CCN(CC)COc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(Cl)cccc2Cl)C3)cc1",
   "targets": [
    "UNP:Q16539"
   ]
  },
  {
   "line": 14170,
   "comp_id": "F9H",
   "ikey_connectivity": "CIOWYUCMYWZPAD",
   "smiles": "CC1(C)CN(C2(C(=O)Nc3nnn[nH]3)CN(C(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)C(=O)O1",
   "targets": [
    "UNP:A6V1E4"
   ]
  },
  {
   "line": 2587,
   "comp_id": "42I",
   "ikey_connectivity": "AZRYWRIZWVORFG",
   "smiles": "O=C(Nc1n[nH]c2cc(-c3ccc(O)cc3)ccc12)c1ccccc1",
   "targets": [
    "UNP:P11362"
   ]
  },
  {
   "line": 11732,
   "comp_id": "BHM",
   "ikey_connectivity": "QDSWNDMHSBZXKX",
   "smiles": "CC(O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1",
   "targets": [
    "UNP:P10275"
   ]
  },
  {
   "line": 26279,
   "comp_id": "XNC",
   "ikey_connectivity": "CLEOWFBQYYBWRR",
   "smiles": "Cc1cccc(C(=O)N2c3cccc(O)c3NC3=C(C2c2ccc(OCc4ccccc4)cc2F)S(=O)(=O)CC(C)(C)C3)n1",
   "targets": [
    "UNP:O92972"
   ]
  },
  {
   "line": 22142,
   "comp_id": "R87",
   "ikey_connectivity": "FQAWNARVGLFFLT",
   "smiles": "COC1(C(=O)Nc2cncc3cc(F)ccc23)CCOc2ccc(Cl)cc21",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 26187,
   "comp_id": "XIW",
   "ikey_connectivity": "BGIRWVZOLYIMLA",
   "smiles": "Nc1ccc(-c2n[nH]nc2-c2ccc(C(=O)O)cc2)cc1",
   "targets": [
    "UNP:P11309"
   ]
  },
  {
   "line": 4021,
   "comp_id": "651",
   "ikey_connectivity": "WPCQYFUQHBLGAX",
   "smiles": "OC1(c2ccc(-c3ccccc3)cc2)CN2CCC1CC2",
   "targets": [
    "UNP:A9JQL9"
   ]
  },
  {
   "line": 13689,
   "comp_id": "EJI",
   "ikey_connectivity": "WIVVLBDUDQXNLC",
   "smiles": "COC(=O)c1ccc(C2C(c3ccc(F)cc3)C(=O)N2C2CCN(C=O)CC2)cc1",
   "targets": [
    "UNP:Q99685"
   ]
  },
  {
   "line": 24065,
   "comp_id": "UBD",
   "ikey_connectivity": "ZPVPRWPOZBXDKD",
   "smiles": "O=c1ccn(C2OC(COP(=O)(O)O)C(OP(=O)(O)O)C2O)c(=O)[nH]1",
   "targets": [
    "UNP:O70348"
   ]
  },
  {
   "line": 4579,
   "comp_id": "6XD",
   "ikey_connectivity": "JODLYBRKXRTSIK",
   "smiles": "O=C(NCCCn1ccnc1)NC12CC3CC(CC(C3)C1)C2",
   "targets": [
    "UNP:P9WPN8"
   ]
  },
  {
   "line": 18785,
   "comp_id": "M0Z",
   "ikey_connectivity": "RPIDLPZPJARENN",
   "smiles": "COc1ccc2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2c1",
   "targets": [
    "UNP:Q08881"
   ]
  },
  {
   "line": 10487,
   "comp_id": "A1JU2",
   "ikey_connectivity": "DGFLJLNHQOUZEE",
   "smiles": "C#Cc1cccc2cc(O)cc(-c3c(F)cc4c(N5CC6(C)CC(OC)C(C)(C5)[NH2+]6)nc(OCC56CCC[NH+]5CC(F)C6)nc4c3F)c12",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 10264,
   "comp_id": "A1JF3",
   "ikey_connectivity": "XOVXAOJJTXHVTL",
   "smiles": "Cc1ccc(C(=O)NCC(C)N2CCc3sccc3C2)o1",
   "targets": [
    "UNP:Q32ZE1"
   ]
  },
  {
   "line": 27042,
   "comp_id": "YLE",
   "ikey_connectivity": "RVVFCLYULJUEDG",
   "smiles": "O=C1NCCc2c1[nH]c1c(-c3ccoc3)cccc21",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 11733,
   "comp_id": "BHN",
   "ikey_connectivity": "GRUVVLWKPGIYEG",
   "smiles": "O=C(O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O",
   "targets": [
    "UNP:P33590"
   ]
  },
  {
   "line": 8558,
   "comp_id": "A1CK4",
   "ikey_connectivity": "NZZHJGDJZXXDGX",
   "smiles": "CC(C)C(Sc1cc(Cl)c(Cl)cc1Cl)C(=O)O",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 23078,
   "comp_id": "SMY",
   "ikey_connectivity": "JGLUXTFIRPYAQV",
   "smiles": "CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4c[nH]c5ccccc45)CC3)c21",
   "targets": [
    "UNP:P05132",
    "UNP:P63248"
   ]
  },
  {
   "line": 24358,
   "comp_id": "UQ",
   "ikey_connectivity": "ACTIUHUUMQJHFO",
   "smiles": "COC1=C(OC)C(=O)C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C(C)C1=O",
   "targets": [
    "UNP:A0A286ZNN4",
    "UNP:A0A286ZUN9",
    "UNP:A0A287AAR5",
    "UNP:A0A287AE88",
    "UNP:A0A287BAW0",
    "UNP:A0A287BDC0",
    "UNP:A0A287BG40",
    "UNP:A0A287BMW6",
    "UNP:A0A480JRW3",
    "UNP:A0A480JYS1",
    "UNP:A0A480KM09",
    "UNP:A0A480VKQ8",
    "UNP:A0A4X1SN37",
    "UNP:A0A4X1SZP7",
    "UNP:A0A4X1T0A8",
    "UNP:A0A4X1T6M0",
    "UNP:A0A4X1TE42",
    "UNP:A0A4X1TFI3",
    "UNP:A0A4X1UIV8",
    "UNP:A0A4X1ULW2",
    "UNP:A0A4X1V1H9",
    "UNP:A0A4X1V766",
    "UNP:A0A4X1VD84",
    "UNP:A0A4X1VLA2",
    "UNP:A0A4X1VPG4",
    "UNP:A0A4X1VQ42",
    "UNP:A0A4X1VYV0",
    "UNP:A0A5G2QW32",
    "UNP:A0A8D0R7A9",
    "UNP:A0A8D1EYI7",
    "UNP:A0A8D1IJ52",
    "UNP:A0A8D1K2Z9",
    "UNP:A0A8D1KH26",
    "UNP:A0A8D1NRT6",
    "UNP:A0A8D1TL60",
    "UNP:A0A8D2CGH8",
    "UNP:A0A8W4F7N8",
    "UNP:A0A8W4F811",
    "UNP:A1XQS6",
    "UNP:D0VWW3",
    "UNP:F1RGE3",
    "UNP:F1RWL7",
    "UNP:F1S031",
    "UNP:F1S1A8",
    "UNP:F1SCH1",
    "UNP:F1SGC6",
    "UNP:F1SIS9",
    "UNP:F1SJP6",
    "UNP:F1SL07",
    "UNP:F1SLR1",
    "UNP:F1SQP4",
    "UNP:F1SV23",
    "UNP:G5E814",
    "UNP:G8IFA6",
    "UNP:I3LDC3",
    "UNP:I3LGM4",
    "UNP:I3LRR4",
    "UNP:K7GR43",
    "UNP:K7GSE5",
    "UNP:O09111",
    "UNP:O35683",
    "UNP:O79874",
    "UNP:O79875",
    "UNP:O79880",
    "UNP:O79881",
    "UNP:O79882",
    "UNP:P00125",
    "UNP:P00126",
    "UNP:P00129",
    "UNP:P00130",
    "UNP:P00157",
    "UNP:P03888",
    "UNP:P03893",
    "UNP:P03899",
    "UNP:P03903",
    "UNP:P03911",
    "UNP:P03921",
    "UNP:P03925",
    "UNP:P0DN34",
    "UNP:P13271",
    "UNP:P13272",
    "UNP:P23004",
    "UNP:P31800",
    "UNP:P52503",
    "UNP:P56632",
    "UNP:Q3UIU2",
    "UNP:Q5ZIS0",
    "UNP:Q71K68",
    "UNP:Q7IIB7",
    "UNP:Q7TMF3",
    "UNP:Q8BK30",
    "UNP:Q8K3J1",
    "UNP:Q91VD9",
    "UNP:Q91WD5",
    "UNP:Q91YT0",
    "UNP:Q99LC3",
    "UNP:Q99LY9",
    "UNP:Q9CPP6",
    "UNP:Q9CPU2",
    "UNP:Q9CQ54",
    "UNP:Q9CQ75",
    "UNP:Q9CQ91",
    "UNP:Q9CQC7",
    "UNP:Q9CQH3",
    "UNP:Q9CQJ8",
    "UNP:Q9CQY9",
    "UNP:Q9CQZ5",
    "UNP:Q9CQZ6",
    "UNP:Q9CR21",
    "UNP:Q9CR61",
    "UNP:Q9CXZ1",
    "UNP:Q9D6J5",
    "UNP:Q9D6J6",
    "UNP:Q9DC69",
    "UNP:Q9DC70",
    "UNP:Q9DCJ5",
    "UNP:Q9DCS9",
    "UNP:Q9DCT2",
    "UNP:Q9ERS2",
    "UNP:Q9TDR1",
    "UNP:Q9YHT1",
    "UNP:Q9YHT2",
    "UNP:Q9Z1P6"
   ]
  },
  {
   "line": 21205,
   "comp_id": "PYI",
   "ikey_connectivity": "ZHKSTKOYQKNDSJ",
   "smiles": "Cc1ncc(C[n+]2cccc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1",
   "targets": [
    "UNP:Q9R0M5"
   ]
  },
  {
   "line": 16983,
   "comp_id": "JFG",
   "ikey_connectivity": "SGINYCKQAHKPGN",
   "smiles": "Cc1ccc(C)c(C(=O)Nc2ccc3cc(-c4ccccc4)nn3c2)n1",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 27220,
   "comp_id": "YSL",
   "ikey_connectivity": "JUQILRKVRIIJNO",
   "smiles": "C=C1C(O)CC(=CC=C2CCCC3(C)C2CCC3C(C)C(CCO)CCCCCC)CC1O",
   "targets": [
    "UNP:P13053",
    "UNP:Q15648"
   ]
  },
  {
   "line": 25034,
   "comp_id": "VQS",
   "ikey_connectivity": "JWGVUDPAMQEIJU",
   "smiles": "CC1COCCN1c1cc(C2(S(=O)(=O)C3CC3)CC2)nc(-c2ccc(NC(=S)NCCO)cc2)n1",
   "targets": [
    "UNP:P21675"
   ]
  },
  {
   "line": 21472,
   "comp_id": "QCM",
   "ikey_connectivity": "YALNUENQHAQXEA",
   "smiles": "CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1",
   "targets": [
    "UNP:F8W4B7"
   ]
  },
  {
   "line": 9511,
   "comp_id": "A1I02",
   "ikey_connectivity": "FZKDNMXSWUOVJR",
   "smiles": "Cc1cc(O)cc(C)c1Nc1c(-c2ccc(NC(=O)CCl)cc2)nc2ccccn12",
   "targets": [
    "UNP:P03372",
    "UNP:P31947"
   ]
  },
  {
   "line": 3130,
   "comp_id": "4XK",
   "ikey_connectivity": "LJEGYFBKFOMGEW",
   "smiles": "Nc1cccc2c1CCN(CCCOC1CCOCC1)C2",
   "targets": [
    "UNP:P15379"
   ]
  },
  {
   "line": 4440,
   "comp_id": "6Q8",
   "ikey_connectivity": "LWWWROAXBQFQIU",
   "smiles": "Cc1[nH]c(C(=O)Nc2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1ccc2c[nH]nc2c1",
   "targets": [
    "UNP:G7CNL4"
   ]
  },
  {
   "line": 3152,
   "comp_id": "4YN",
   "ikey_connectivity": "XOZJVPQFZSCGTE",
   "smiles": "COCC1C[NH2+]C(C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccccc3)cc21",
   "targets": [
    "UNP:P98170"
   ]
  },
  {
   "line": 25675,
   "comp_id": "WS2",
   "ikey_connectivity": "KPOTWZYLDCHCIG",
   "smiles": "O=C(NCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)c1cccc(COC2OC(CO)C(O)C(O)C2O)n1",
   "targets": [
    "UNP:P16442"
   ]
  },
  {
   "line": 23309,
   "comp_id": "T27",
   "ikey_connectivity": "YIBOMRUWOWDFLG",
   "smiles": "Cc1cc(C=CC#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1",
   "targets": [
    "UNP:P03366",
    "UNP:P04585"
   ]
  },
  {
   "line": 14164,
   "comp_id": "F94",
   "ikey_connectivity": "DYARIVMCYYQNNQ",
   "smiles": "O=c1cc(-c2cccc(O)c2)oc2cc(O)ccc12",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 306,
   "comp_id": "0KE",
   "ikey_connectivity": "QSKPSFPICSGYQC",
   "smiles": "COc1ccc2cc(NCc3c(COP(=O)(O)O)cnc(C)c3O)c(=O)n(O)c2c1",
   "targets": [
    "UNP:Q8N5Z0"
   ]
  },
  {
   "line": 2888,
   "comp_id": "4IV",
   "ikey_connectivity": "JUPXIAWRJFYWOF",
   "smiles": "COc1ccccc1NC(=O)c1ccccc1OCc1c(C)noc1C",
   "targets": [
    "UNP:P42330"
   ]
  },
  {
   "line": 23928,
   "comp_id": "U45",
   "ikey_connectivity": "GAPCICIYPZRQFH",
   "smiles": "NC(=O)c1nn(CC(O)Cn2c3ccccc3c3ccccc32)c(=O)c2ccccc12",
   "targets": [
    "UNP:K9WT99"
   ]
  },
  {
   "line": 2886,
   "comp_id": "4IT",
   "ikey_connectivity": "FFNRAVWDJXOFBV",
   "smiles": "COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(C=N)CC3CCNC3=O)cc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 10838,
   "comp_id": "A1LZG",
   "ikey_connectivity": "WHZYJBLNTIYKIO",
   "smiles": "CC(C)C1=C(C(=O)O)C2(C)CC3C(C)CCC3C(C=O)CC2C1",
   "targets": [
    "UNP:A0A1B4XBH4"
   ]
  },
  {
   "line": 9184,
   "comp_id": "A1EO4",
   "ikey_connectivity": "GTUDWLPAEYWLMM",
   "smiles": "Cc1cc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)nncc54)C(O)C3O)C(O)C2O)cc1-c1ccc2[nH]c(=O)oc2c1",
   "targets": [
    "UNP:Q6SZW1"
   ]
  },
  {
   "line": 13375,
   "comp_id": "E4G",
   "ikey_connectivity": "MKUSLLRHQBCOIB",
   "smiles": "CC(=O)COc1cc2cc(c1)C(=O)NC(C(O)CNCc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCO2",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 18223,
   "comp_id": "L62",
   "ikey_connectivity": "JHRUSYOIALPZLD",
   "smiles": "O=CCC(NC(=O)OC1CCCC1)c1ccccc1",
   "targets": [
    "UNP:P09391"
   ]
  },
  {
   "line": 17112,
   "comp_id": "JM1",
   "ikey_connectivity": "",
   "smiles": "O=C1NC(=O)c2c1c1cc(F)c[n]3->[Ru]4567(<-[C-]#[O+])(<-[n-]8c9ccccc9c2c8c13)[C]1=[C]4[C-]5[C]6=[C]17",
   "targets": [
    "UNP:P11309"
   ]
  },
  {
   "line": 15634,
   "comp_id": "HEC",
   "ikey_connectivity": "",
   "smiles": "CCC1=C(C)c2cc3c(C)c(CCC(=O)[O-])c4cc5[n]6->[Fe]7(<-[n]2c1cc1c(C)c(CC)c(cc6C(C)=C5CCC(=O)[O-])[n-]->71)<-[n-]34",
   "targets": [
    "UNP:A0A0A6ZDN8",
    "UNP:A0A0D9QXW2",
    "UNP:A0A0D9R493",
    "UNP:A0A0D9R8S7",
    "UNP:A0A0D9RB67",
    "UNP:A0A0D9RJ49",
    "UNP:A0A0D9RML3",
    "UNP:A0A0D9RSN1",
    "UNP:A0A0D9S9I7",
    "UNP:A0A0E3ELC2",
    "UNP:A0A0M4DKA8",
    "UNP:A0A0S2YRT7",
    "UNP:A0A0S2YRV6",
    "UNP:A0A0S3AFC9",
    "UNP:A0A0X8X829",
    "UNP:A0A0X8X838",
    "UNP:A0A0X8X847",
    "UNP:A0A0X8X9B2",
    "UNP:A0A0X8XAH6",
    "UNP:A0A0X8XBE4",
    "UNP:A0A110B4Z6",
    "UNP:A0A120MZP7",
    "UNP:A0A125YN38",
    "UNP:A0A125YPC9",
    "UNP:A0A125YS93",
    "UNP:A0A125YTU2",
    "UNP:A0A125YU99",
    "UNP:A0A125YW19",
    "UNP:A0A125YW21",
    "UNP:A0A125YYJ3",
    "UNP:A0A125YYJ5",
    "UNP:A0A125YYV1",
    "UNP:A0A125YZ21",
    "UNP:A0A125YZC1",
    "UNP:A0A125YZN9",
    "UNP:A0A125YZP0",
    "UNP:A0A143BHR2",
    "UNP:A0A143BHR6",
    "UNP:A0A143BHS7",
    "UNP:A0A143BHS8",
    "UNP:A0A143BJ28",
    "UNP:A0A143BK87",
    "UNP:A0A1D3HIT0",
    "UNP:A0A1D8PHA2",
    "UNP:A0A1D8PHA3",
    "UNP:A0A1D8PJT8",
    "UNP:A0A1D8PJX3",
    "UNP:A0A1D8PLP3",
    "UNP:A0A1D8PP59",
    "UNP:A0A1G7WCA0",
    "UNP:A0A1I8N8V4",
    "UNP:A0A1S3TB49",
    "UNP:A0A1S3TCK0",
    "UNP:A0A1S3TFG6",
    "UNP:A0A1S3TGE7",
    "UNP:A0A1S3TLY8",
    "UNP:A0A1S3TNX9",
    "UNP:A0A1S3TQ33",
    "UNP:A0A1S3TQ85",
    "UNP:A0A1S3TQD2",
    "UNP:A0A1S3TTD7",
    "UNP:A0A1S3TU57",
    "UNP:A0A1S3TUX2",
    "UNP:A0A1S3TVC7",
    "UNP:A0A1S3TW35",
    "UNP:A0A1S3TWG4",
    "UNP:A0A1S3TZB2",
    "UNP:A0A1S3U023",
    "UNP:A0A1S3U1E4",
    "UNP:A0A1S3U1J6",
    "UNP:A0A1S3U2B9",
    "UNP:A0A1S3U544",
    "UNP:A0A1S3U769",
    "UNP:A0A1S3U8J5",
    "UNP:A0A1S3U9J1",
    "UNP:A0A1S3U9S5",
    "UNP:A0A1S3UHF9",
    "UNP:A0A1S3UI49",
    "UNP:A0A1S3UIW7",
    "UNP:A0A1S3UJ95",
    "UNP:A0A1S3ULL3",
    "UNP:A0A1S3UMA0",
    "UNP:A0A1S3UND4",
    "UNP:A0A1S3UPL8",
    "UNP:A0A1S3UVC7",
    "UNP:A0A1S3UVV0",
    "UNP:A0A1S3UYW0",
    "UNP:A0A1S3V2B8",
    "UNP:A0A1S3V2Z3",
    "UNP:A0A1S3V319",
    "UNP:A0A1S3V7C2",
    "UNP:A0A1S3V7V2",
    "UNP:A0A1S3V8W7",
    "UNP:A0A1S3VF71",
    "UNP:A0A1S3VGS8",
    "UNP:A0A1S3VGT1",
    "UNP:A0A1S3VHC0",
    "UNP:A0A1S3VI15",
    "UNP:A0A1S3VNK7",
    "UNP:A0A1S3VT00",
    "UNP:A0A1S3VV60",
    "UNP:A0A1S3VVN6",
    "UNP:A0A1S3VXN7",
    "UNP:A0A1S3VXS7",
    "UNP:A0A1S3VYF3",
    "UNP:A0A1S3W199",
    "UNP:A0A1S3W1K8",
    "UNP:A0A286SF60",
    "UNP:A0A286ZNN4",
    "UNP:A0A286ZPR8",
    "UNP:A0A286ZUN9",
    "UNP:A0A287AAR5",
    "UNP:A0A287AEB7",
    "UNP:A0A287ARY3",
    "UNP:A0A287AZF9",
    "UNP:A0A287BAW0",
    "UNP:A0A287BDC0",
    "UNP:A0A287BEK4",
    "UNP:A0A287BG40",
    "UNP:A0A287BJ57",
    "UNP:A0A2K3D1M1",
    "UNP:A0A2K3D591",
    "UNP:A0A2K3DYZ8",
    "UNP:A0A2K5HV75",
    "UNP:A0A2L1K3Q4",
    "UNP:A0A2L1K3U8",
    "UNP:A0A2P1N6U9",
    "UNP:A0A2S6MZS1",
    "UNP:A0A2S6NEG7",
    "UNP:A0A2S6NEK3",
    "UNP:A0A2S6NEK5",
    "UNP:A0A2S6NEL9",
    "UNP:A0A2S6NEP5",
    "UNP:A0A2T3H499",
    "UNP:A0A2U9PNL2",
    "UNP:A0A2Z6I6U9",
    "UNP:A0A348FW44",
    "UNP:A0A348FW70",
    "UNP:A0A348FW71",
    "UNP:A0A348FW72",
    "UNP:A0A348FW73",
    "UNP:A0A348FW74",
    "UNP:A0A348G0X9",
    "UNP:A0A348G0Y0",
    "UNP:A0A365PQ86",
    "UNP:A0A444WZ62",
    "UNP:A0A444YS04",
    "UNP:A0A445CDV5",
    "UNP:A0A445CQN5",
    "UNP:A0A445CVZ9",
    "UNP:A0A445DY18",
    "UNP:A0A445EV57",
    "UNP:A0A445EVJ9",
    "UNP:A0A480JRW3",
    "UNP:A0A480KM09",
    "UNP:A0A480TFA5",
    "UNP:A0A480XQH6",
    "UNP:A0A4R2PIK4",
    "UNP:A0A4R2PKF8",
    "UNP:A0A4R2PKR2",
    "UNP:A0A4R2PMJ4",
    "UNP:A0A4X1SN37",
    "UNP:A0A4X1SNY5",
    "UNP:A0A4X1SZP7",
    "UNP:A0A4X1T6M0",
    "UNP:A0A4X1T8J9",
    "UNP:A0A4X1TE42",
    "UNP:A0A4X1TG97",
    "UNP:A0A4X1THU2",
    "UNP:A0A4X1TWD8",
    "UNP:A0A4X1TXH1",
    "UNP:A0A4X1U2M7",
    "UNP:A0A4X1UIV8",
    "UNP:A0A4X1ULW2",
    "UNP:A0A4X1UNI7",
    "UNP:A0A4X1UYT9",
    "UNP:A0A4X1V1H9",
    "UNP:A0A4X1VBN1",
    "UNP:A0A4X1VD84",
    "UNP:A0A4X1VLA2",
    "UNP:A0A4X1VPG4",
    "UNP:A0A4X1VQ42",
    "UNP:A0A4X1VRV3",
    "UNP:A0A4X1VTL7",
    "UNP:A0A4X1VTU3",
    "UNP:A0A4X1VVS8",
    "UNP:A0A4X1VX77",
    "UNP:A0A5G2QW32",
    "UNP:A0A653FDI6",
    "UNP:A0A6M4ILR2",
    "UNP:A0A6M4INU2",
    "UNP:A0A6M4IPC7",
    "UNP:A0A6M4IPJ3",
    "UNP:A0A6M4IQ17",
    "UNP:A0A6M4IQ93",
    "UNP:A0A6M4ITL7",
    "UNP:A0A7J6MEE8",
    "UNP:A0A7J6MZQ8",
    "UNP:A0A7J6R9U3",
    "UNP:A0A8D0INK7",
    "UNP:A0A8D0K655",
    "UNP:A0A8D0PK14",
    "UNP:A0A8D0QM68",
    "UNP:A0A8D0R7A9",
    "UNP:A0A8D0SHY6",
    "UNP:A0A8D0TJQ4",
    "UNP:A0A8D0UWW0",
    "UNP:A0A8D0Z0K9",
    "UNP:A0A8D1EYI7",
    "UNP:A0A8D1FAG1",
    "UNP:A0A8D1FN21",
    "UNP:A0A8D1G9F4",
    "UNP:A0A8D1IZ33",
    "UNP:A0A8D1J578",
    "UNP:A0A8D1JI21",
    "UNP:A0A8D1KH26",
    "UNP:A0A8D1NRT6",
    "UNP:A0A8D1TL60",
    "UNP:A0A8D1TTB3",
    "UNP:A0A8D1WW27",
    "UNP:A0A8D2CGH8",
    "UNP:A0A8F2YUY6",
    "UNP:A0A8I3AZT1",
    "UNP:A0A8I3AZT2",
    "UNP:A0A8I3AZT3",
    "UNP:A0A8W4F7N8",
    "UNP:A0A9R0IV89",
    "UNP:A0AAJ6N6H5",
    "UNP:A0AAN0NP81",
    "UNP:A0AAN0NP99",
    "UNP:A0ABF7SXE4",
    "UNP:A0ABF7SXE5",
    "UNP:A0ABF7SXE6",
    "UNP:A0ABF7SXE7",
    "UNP:A0ABF7SXE8",
    "UNP:A0ABF7SXE9",
    "UNP:A0ABF7SXF0",
    "UNP:A0ABM7QP23",
    "UNP:A0ABM7QQ47",
    "UNP:A0AC62AEH6",
    "UNP:A0AC62AEH8",
    "UNP:A0ACI6P5R8",
    "UNP:A0ACI6PES2",
    "UNP:A0ACI6PQJ9",
    "UNP:A0ACI6R4R0",
    "UNP:A0ACI6RBT2",
    "UNP:A0ACI6RH13",
    "UNP:A0ACI6S1Z3",
    "UNP:A0ACI6S8U7",
    "UNP:A0ACM8DFI9",
    "UNP:A0L9W2",
    "UNP:A0N6Y3",
    "UNP:A0QQQ1",
    "UNP:A0QVH4",
    "UNP:A0QVL2",
    "UNP:A0R049",
    "UNP:A0R050",
    "UNP:A0R051",
    "UNP:A0R052",
    "UNP:A0R056",
    "UNP:A0R057",
    "UNP:A0R0M4",
    "UNP:A0R1B5",
    "UNP:A0R1B6",
    "UNP:A0R562",
    "UNP:A1AZ52",
    "UNP:A1AZB0",
    "UNP:A1B1H8",
    "UNP:A1B1M0",
    "UNP:A1B311",
    "UNP:A1B357",
    "UNP:A1B3D7",
    "UNP:A1B479",
    "UNP:A1B480",
    "UNP:A1B481",
    "UNP:A1B482",
    "UNP:A1B483",
    "UNP:A1B486",
    "UNP:A1B487",
    "UNP:A1B489",
    "UNP:A1B491",
    "UNP:A1B494",
    "UNP:A1B495",
    "UNP:A1B496",
    "UNP:A1B497",
    "UNP:A1B498",
    "UNP:A1B4F2",
    "UNP:A1B4F3",
    "UNP:A1B4F4",
    "UNP:A1B5L6",
    "UNP:A1BA37",
    "UNP:A1BA41",
    "UNP:A1BB97",
    "UNP:A1BBA0",
    "UNP:A1WWW5",
    "UNP:A1WWW6",
    "UNP:A1WXF5",
    "UNP:A1WXF6",
    "UNP:A1WXF7",
    "UNP:A1WXF8",
    "UNP:A1WXF9",
    "UNP:A1WXH6",
    "UNP:A1WXI3",
    "UNP:A1XQS3",
    "UNP:A1XQS6",
    "UNP:A1XQT1",
    "UNP:A1XQT4",
    "UNP:A2AQ92",
    "UNP:A3CZ62",
    "UNP:A3DTD8",
    "UNP:A3MW92",
    "UNP:A4VD20",
    "UNP:A4VDQ6",
    "UNP:A4VDV3",
    "UNP:A5FJE2",
    "UNP:A5FJF1",
    "UNP:A5FJF2",
    "UNP:A5FJF3",
    "UNP:A5FJF4",
    "UNP:A5FJF5",
    "UNP:A7NJ87",
    "UNP:A7NJ88",
    "UNP:A7NJ89",
    "UNP:A7NJ90",
    "UNP:A7NJ91",
    "UNP:A7NJ92",
    "UNP:A7NQE7",
    "UNP:A7NQE8",
    "UNP:A7NQE9",
    "UNP:A8AB33",
    "UNP:A8ASG6",
    "UNP:A8DJF8",
    "UNP:A8HRZ4",
    "UNP:A8HX89",
    "UNP:A8ICJ1",
    "UNP:A8IFG7",
    "UNP:A8IHL3",
    "UNP:A8IKI9",
    "UNP:A8IL32",
    "UNP:A8IN92",
    "UNP:A8IS53",
    "UNP:A8IU42",
    "UNP:A8IVG9",
    "UNP:A8IVJ7",
    "UNP:A8J4K5",
    "UNP:A8J5P7",
    "UNP:A8J6N0",
    "UNP:A8J7H8",
    "UNP:A8J7I9",
    "UNP:A8J815",
    "UNP:A8J843",
    "UNP:A8J8N9",
    "UNP:A8JA22",
    "UNP:A8JC51",
    "UNP:A8JCW1",
    "UNP:A8JEU7",
    "UNP:A8JFK6",
    "UNP:A8JHV4",
    "UNP:A8JHY4",
    "UNP:A8LIU2",
    "UNP:A8LQ14",
    "UNP:A8LQ15",
    "UNP:A8LQ16",
    "UNP:A8LQ17",
    "UNP:A8LQ18",
    "UNP:A8LQ33",
    "UNP:A9WEV2",
    "UNP:A9WEV3",
    "UNP:A9WEV4",
    "UNP:A9WEV5",
    "UNP:A9WEV6",
    "UNP:A9WEV7",
    "UNP:A9WEV8",
    "UNP:B0CN28",
    "UNP:B1MDD0",
    "UNP:B1MDZ6",
    "UNP:B1MGY1",
    "UNP:B1MIN6",
    "UNP:B1MMU1",
    "UNP:B1MMU2",
    "UNP:B1MNZ2",
    "UNP:B1MNZ3",
    "UNP:B1MNZ7",
    "UNP:B1MNZ8",
    "UNP:B1MNZ9",
    "UNP:B1MP00",
    "UNP:B2UHR8",
    "UNP:B3FQS5",
    "UNP:B3PLJ6",
    "UNP:B4RQ30",
    "UNP:B8Y651",
    "UNP:B9EE38",
    "UNP:B9ZUV0",
    "UNP:C5BNC6",
    "UNP:C5K4P8",
    "UNP:C5K5E4",
    "UNP:C5K628",
    "UNP:C5K7H0",
    "UNP:C5K8N0",
    "UNP:C5KBY9",
    "UNP:C5KDM7",
    "UNP:C5KED7",
    "UNP:C5KJE7",
    "UNP:C5KJI4",
    "UNP:C5KPD1",
    "UNP:C5KS02",
    "UNP:C5KST9",
    "UNP:C5KSX3",
    "UNP:C5KTH2",
    "UNP:C5KTV6",
    "UNP:C5KYR8",
    "UNP:C5L083",
    "UNP:C5L0U1",
    "UNP:C5L0W2",
    "UNP:C5L0W9",
    "UNP:C5L104",
    "UNP:C5L1Y6",
    "UNP:C5L3V7",
    "UNP:C5L533",
    "UNP:C5L7H1",
    "UNP:C5L848",
    "UNP:C5LCL6",
    "UNP:C5LDF5",
    "UNP:C5LDS7",
    "UNP:C5LG07",
    "UNP:C5LG64",
    "UNP:C5LJ83",
    "UNP:C5LK31",
    "UNP:C5LPW2",
    "UNP:C5LR54",
    "UNP:C5LSM2",
    "UNP:C5LUB2",
    "UNP:C5LUF4",
    "UNP:C5LUF9",
    "UNP:C5LUI5",
    "UNP:C5LWC6",
    "UNP:C5LYE7",
    "UNP:C5LYT4",
    "UNP:C5LYX8",
    "UNP:C7G528",
    "UNP:D0G7Q3",
    "UNP:D0G7Q4",
    "UNP:D0MDD4",
    "UNP:D0MDD5",
    "UNP:D0MDD6",
    "UNP:D0MDD7",
    "UNP:D0MDD8",
    "UNP:D0MDD9",
    "UNP:D0MKF0",
    "UNP:D0VWR1",
    "UNP:D0VWR2",
    "UNP:D0VWR3",
    "UNP:D0VWR4",
    "UNP:D0VWR5",
    "UNP:D0VWR7",
    "UNP:D0VWR8",
    "UNP:D2Z0P1",
    "UNP:D2Z0P2",
    "UNP:D2Z0P3",
    "UNP:D2Z0P5",
    "UNP:D2Z0P9",
    "UNP:D3RVD4",
    "UNP:D4ZE39",
    "UNP:D4ZGZ2",
    "UNP:D5ANZ2",
    "UNP:D5ANZ3",
    "UNP:D5ANZ4",
    "UNP:D5CN26",
    "UNP:D5XBK3",
    "UNP:D7A6E5",
    "UNP:E7EDQ7",
    "UNP:E9KZK9",
    "UNP:E9KZL0",
    "UNP:E9KZL1",
    "UNP:E9KZL8",
    "UNP:E9KZM1",
    "UNP:E9KZM5",
    "UNP:E9KZM7",
    "UNP:E9KZN6",
    "UNP:E9KZN8",
    "UNP:F1RGE3",
    "UNP:F1RNZ1",
    "UNP:F1RPD2",
    "UNP:F1RRC9",
    "UNP:F1RWL7",
    "UNP:F1RWV4",
    "UNP:F1S031",
    "UNP:F1S1A8",
    "UNP:F1S3W0",
    "UNP:F1SA62",
    "UNP:F1SAB6",
    "UNP:F1SCH1",
    "UNP:F1SDI2",
    "UNP:F1SGC6",
    "UNP:F1SIF2",
    "UNP:F1SIS9",
    "UNP:F1SJ34",
    "UNP:F1SJP6",
    "UNP:F1SKM0",
    "UNP:F1SL07",
    "UNP:F1SLR1",
    "UNP:F1SLY2",
    "UNP:F1SM98",
    "UNP:F1SQP4",
    "UNP:F1SRG2",
    "UNP:F1SRQ0",
    "UNP:F1STY1",
    "UNP:F1SV23",
    "UNP:F2KMU8",
    "UNP:F2Z292",
    "UNP:F5SWR8",
    "UNP:F7J213",
    "UNP:F8SRI9",
    "UNP:F8SRJ0",
    "UNP:F8UWD6",
    "UNP:G1UBD5",
    "UNP:G1UBD9",
    "UNP:G2LDR3",
    "UNP:G2LDR4",
    "UNP:G2LDR8",
    "UNP:G2LEN5",
    "UNP:G2LHG2",
    "UNP:G2LJ20",
    "UNP:G2LK98",
    "UNP:G2TRP5",
    "UNP:G5E814",
    "UNP:G8IFA6",
    "UNP:H9PGF0",
    "UNP:I3IL56",
    "UNP:I3LDC3",
    "UNP:I3LGM4",
    "UNP:I3LPW0",
    "UNP:I3LRR4",
    "UNP:I6NAW4",
    "UNP:I7FGS8",
    "UNP:I7FHC3",
    "UNP:I7FPH1",
    "UNP:I7FT03",
    "UNP:I7GD61",
    "UNP:I7LT42",
    "UNP:I7LT77",
    "UNP:I7LTF1",
    "UNP:I7LTZ4",
    "UNP:I7LUQ4",
    "UNP:I7LVX0",
    "UNP:I7LX66",
    "UNP:I7LY65",
    "UNP:I7LZX8",
    "UNP:I7M1N8",
    "UNP:I7M1Q4",
    "UNP:I7M2U4",
    "UNP:I7M2Y3",
    "UNP:I7M3P9",
    "UNP:I7M403",
    "UNP:I7M484",
    "UNP:I7M6S0",
    "UNP:I7M855",
    "UNP:I7M8P0",
    "UNP:I7M8Q7",
    "UNP:I7M8Y9",
    "UNP:I7M9B3",
    "UNP:I7M9E7",
    "UNP:I7MA77",
    "UNP:I7MAF0",
    "UNP:I7MD12",
    "UNP:I7MD70",
    "UNP:I7MDW5",
    "UNP:I7MEP0",
    "UNP:I7MEX7",
    "UNP:I7MFL6",
    "UNP:I7MFV5",
    "UNP:I7MG29",
    "UNP:I7MGF9",
    "UNP:I7MGU2",
    "UNP:I7MI60",
    "UNP:I7MIC7",
    "UNP:I7MIE0",
    "UNP:I7MIJ7",
    "UNP:I7MIK1",
    "UNP:I7MIM0",
    "UNP:I7MJ25",
    "UNP:I7MK02",
    "UNP:I7MK61",
    "UNP:I7MKT6",
    "UNP:I7MLH2",
    "UNP:I7MM45",
    "UNP:I7MMF4",
    "UNP:K7GR43",
    "UNP:K7GSE5",
    "UNP:K9TRV7",
    "UNP:K9TSZ1",
    "UNP:K9TVF4",
    "UNP:K9TVH2",
    "UNP:K9TVN1",
    "UNP:K9TVY6",
    "UNP:K9TVZ5",
    "UNP:K9TWK6",
    "UNP:K9TX16",
    "UNP:K9TX47",
    "UNP:K9TX50",
    "UNP:K9TXA1",
    "UNP:K9TYK3",
    "UNP:K9TZ53",
    "UNP:K9TZN4",
    "UNP:K9U3E1",
    "UNP:K9U462",
    "UNP:K9U4H5",
    "UNP:K9U6Z0",
    "UNP:K9U8J8",
    "UNP:K9U9A4",
    "UNP:L0DSL2",
    "UNP:M1V1V5",
    "UNP:M1VB40",
    "UNP:M1VMF7",
    "UNP:O00217",
    "UNP:O05542",
    "UNP:O05544",
    "UNP:O07091",
    "UNP:O07819",
    "UNP:O09111",
    "UNP:O14561",
    "UNP:O14949",
    "UNP:O14957",
    "UNP:O15239",
    "UNP:O20672",
    "UNP:O30881",
    "UNP:O33434",
    "UNP:O34453",
    "UNP:O35683",
    "UNP:O42932",
    "UNP:O43181",
    "UNP:O43674",
    "UNP:O43676",
    "UNP:O43677",
    "UNP:O43678",
    "UNP:O43920",
    "UNP:O59680",
    "UNP:O66458",
    "UNP:O66459",
    "UNP:O66460",
    "UNP:O67504",
    "UNP:O74433",
    "UNP:O74471",
    "UNP:O74533",
    "UNP:O74988",
    "UNP:O75251",
    "UNP:O75306",
    "UNP:O75380",
    "UNP:O75438",
    "UNP:O75489",
    "UNP:O79874",
    "UNP:O79875",
    "UNP:O79876",
    "UNP:O79880",
    "UNP:O79881",
    "UNP:O79882",
    "UNP:O94581",
    "UNP:O94705",
    "UNP:O95139",
    "UNP:O95167",
    "UNP:O95168",
    "UNP:O95169",
    "UNP:O95178",
    "UNP:O95182",
    "UNP:O95298",
    "UNP:O95299",
    "UNP:O96000",
    "UNP:P00003",
    "UNP:P00004",
    "UNP:P00015",
    "UNP:P00044",
    "UNP:P00078",
    "UNP:P00083",
    "UNP:P00091",
    "UNP:P00099",
    "UNP:P00106",
    "UNP:P00114",
    "UNP:P00125",
    "UNP:P00126",
    "UNP:P00127",
    "UNP:P00128",
    "UNP:P00129",
    "UNP:P00130",
    "UNP:P00132",
    "UNP:P00137",
    "UNP:P00138",
    "UNP:P00142",
    "UNP:P00148",
    "UNP:P00149",
    "UNP:P00154",
    "UNP:P00156",
    "UNP:P00157",
    "UNP:P00158",
    "UNP:P00163",
    "UNP:P00165",
    "UNP:P00166",
    "UNP:P00183",
    "UNP:P00289",
    "UNP:P00396",
    "UNP:P00397",
    "UNP:P00401",
    "UNP:P00405",
    "UNP:P00410",
    "UNP:P00415",
    "UNP:P00416",
    "UNP:P00420",
    "UNP:P00423",
    "UNP:P00424",
    "UNP:P00425",
    "UNP:P00426",
    "UNP:P00427",
    "UNP:P00428",
    "UNP:P00429",
    "UNP:P00430",
    "UNP:P00431",
    "UNP:P01647",
    "UNP:P03888",
    "UNP:P03891",
    "UNP:P03893",
    "UNP:P03899",
    "UNP:P03903",
    "UNP:P03905",
    "UNP:P03911",
    "UNP:P03915",
    "UNP:P03921",
    "UNP:P03925",
    "UNP:P04037",
    "UNP:P04038",
    "UNP:P04039",
    "UNP:P04123",
    "UNP:P04124",
    "UNP:P04126",
    "UNP:P05164",
    "UNP:P05501",
    "UNP:P06008",
    "UNP:P06009",
    "UNP:P06010",
    "UNP:P07143",
    "UNP:P07173",
    "UNP:P07255",
    "UNP:P07256",
    "UNP:P07257",
    "UNP:P07470",
    "UNP:P07471",
    "UNP:P07552",
    "UNP:P07657",
    "UNP:P07919",
    "UNP:P08067",
    "UNP:P08197",
    "UNP:P08525",
    "UNP:P08574",
    "UNP:P08681",
    "UNP:P08739",
    "UNP:P08740",
    "UNP:P08980",
    "UNP:P09144",
    "UNP:P09787",
    "UNP:P09788",
    "UNP:P0A182",
    "UNP:P0A386",
    "UNP:P0A387",
    "UNP:P0A3X7",
    "UNP:P0A3X9",
    "UNP:P0A431",
    "UNP:P0A444",
    "UNP:P0A446",
    "UNP:P0ABE7",
    "UNP:P0ABK9",
    "UNP:P0ABL1",
    "UNP:P0C278",
    "UNP:P0C8L0",
    "UNP:P0DM37",
    "UNP:P0DN34",
    "UNP:P0DPQ7",
    "UNP:P0DSN4",
    "UNP:P0DXY4",
    "UNP:P10174",
    "UNP:P10175",
    "UNP:P10329",
    "UNP:P11658",
    "UNP:P12154",
    "UNP:P12238",
    "UNP:P12239",
    "UNP:P12240",
    "UNP:P12241",
    "UNP:P12312",
    "UNP:P12313",
    "UNP:P12352",
    "UNP:P12356",
    "UNP:P12787",
    "UNP:P13183",
    "UNP:P13271",
    "UNP:P13272",
    "UNP:P14532",
    "UNP:P14575",
    "UNP:P14927",
    "UNP:P15452",
    "UNP:P16013",
    "UNP:P16536",
    "UNP:P17568",
    "UNP:P17665",
    "UNP:P18531",
    "UNP:P19052",
    "UNP:P19054",
    "UNP:P19404",
    "UNP:P19536",
    "UNP:P19783",
    "UNP:P20113",
    "UNP:P20114",
    "UNP:P21534",
    "UNP:P22289",
    "UNP:P22364",
    "UNP:P22619",
    "UNP:P22695",
    "UNP:P23004",
    "UNP:P23577",
    "UNP:P23662",
    "UNP:P24092",
    "UNP:P24474",
    "UNP:P24959",
    "UNP:P24964",
    "UNP:P25935",
    "UNP:P26287",
    "UNP:P26290",
    "UNP:P27589",
    "UNP:P28331",
    "UNP:P29473",
    "UNP:P29474",
    "UNP:P29894",
    "UNP:P29899",
    "UNP:P31800",
    "UNP:P31930",
    "UNP:P32799",
    "UNP:P36438",
    "UNP:P37299",
    "UNP:P39185",
    "UNP:P39186",
    "UNP:P42461",
    "UNP:P43023",
    "UNP:P43265",
    "UNP:P43266",
    "UNP:P44654",
    "UNP:P46445",
    "UNP:P47985",
    "UNP:P48771",
    "UNP:P48772",
    "UNP:P49821",
    "UNP:P50523",
    "UNP:P50667",
    "UNP:P51765",
    "UNP:P51970",
    "UNP:P52503",
    "UNP:P53721",
    "UNP:P54820",
    "UNP:P55929",
    "UNP:P56152",
    "UNP:P56181",
    "UNP:P56391",
    "UNP:P56393",
    "UNP:P56556",
    "UNP:P56632",
    "UNP:P59087",
    "UNP:P59777",
    "UNP:P61045",
    "UNP:P62894",
    "UNP:P62895",
    "UNP:P62898",
    "UNP:P68530",
    "UNP:P69461",
    "UNP:P72178",
    "UNP:P72181",
    "UNP:P72717",
    "UNP:P72798",
    "UNP:P73129",
    "UNP:P74149",
    "UNP:P74810",
    "UNP:P78761",
    "UNP:P79010",
    "UNP:P80883",
    "UNP:P81040",
    "UNP:P81238",
    "UNP:P81459",
    "UNP:P82599",
    "UNP:P82603",
    "UNP:P82903",
    "UNP:P83782",
    "UNP:P83787",
    "UNP:P94691",
    "UNP:P95339",
    "UNP:P95522",
    "UNP:P98005",
    "UNP:P99028",
    "UNP:P99999",
    "UNP:P9WH23",
    "UNP:P9WN25",
    "UNP:P9WP35",
    "UNP:P9WP37",
    "UNP:P9WPP7",
    "UNP:Q00499",
    "UNP:Q00914",
    "UNP:Q01519",
    "UNP:Q02760",
    "UNP:Q02761",
    "UNP:Q02762",
    "UNP:Q07WU7",
    "UNP:Q07Z15",
    "UNP:Q09154",
    "UNP:Q09FB0",
    "UNP:Q11ZY2",
    "UNP:Q16718",
    "UNP:Q16795",
    "UNP:Q1AL63",
    "UNP:Q1HBG9",
    "UNP:Q1PX48",
    "UNP:Q1PZE6",
    "UNP:Q1Q7P3",
    "UNP:Q1Q7P4",
    "UNP:Q1W0Y2",
    "UNP:Q22A35",
    "UNP:Q22AI5",
    "UNP:Q22AX2",
    "UNP:Q22CI1",
    "UNP:Q22DC2",
    "UNP:Q22DP8",
    "UNP:Q22DR7",
    "UNP:Q22E24",
    "UNP:Q22E95",
    "UNP:Q22FX8",
    "UNP:Q22HD6",
    "UNP:Q22HE4",
    "UNP:Q22N23",
    "UNP:Q22PJ5",
    "UNP:Q22RF2",
    "UNP:Q22SC4",
    "UNP:Q22T55",
    "UNP:Q22W11",
    "UNP:Q22W32",
    "UNP:Q22W63",
    "UNP:Q22XT6",
    "UNP:Q22XU5",
    "UNP:Q22YL0",
    "UNP:Q22Z32",
    "UNP:Q22ZA6",
    "UNP:Q230X6",
    "UNP:Q231A8",
    "UNP:Q231G0",
    "UNP:Q233U0",
    "UNP:Q233X7",
    "UNP:Q23B10",
    "UNP:Q23D87",
    "UNP:Q23DG8",
    "UNP:Q23DI3",
    "UNP:Q23DP7",
    "UNP:Q23DS4",
    "UNP:Q23DZ5",
    "UNP:Q23F08",
    "UNP:Q23F81",
    "UNP:Q23FF5",
    "UNP:Q23K66",
    "UNP:Q23KA9",
    "UNP:Q23KE0",
    "UNP:Q23KE4",
    "UNP:Q23KG0",
    "UNP:Q23M99",
    "UNP:Q23ND5",
    "UNP:Q23RH8",
    "UNP:Q23S01",
    "UNP:Q23TE5",
    "UNP:Q23VY4",
    "UNP:Q248F8",
    "UNP:Q24C39",
    "UNP:Q24C97",
    "UNP:Q24CW6",
    "UNP:Q24F24",
    "UNP:Q24HK5",
    "UNP:Q24I09",
    "UNP:Q24I72",
    "UNP:Q24IM5",
    "UNP:Q2EN79",
    "UNP:Q2G0X2",
    "UNP:Q2T6B0",
    "UNP:Q2TV05",
    "UNP:Q2V2P9",
    "UNP:Q30JB5",
    "UNP:Q30WH0",
    "UNP:Q34463",
    "UNP:Q35916",
    "UNP:Q39615",
    "UNP:Q39YY5",
    "UNP:Q3IY09",
    "UNP:Q3IY10",
    "UNP:Q3IY11",
    "UNP:Q3J2Z2",
    "UNP:Q3J4W3",
    "UNP:Q3UIU2",
    "UNP:Q46444",
    "UNP:Q47945",
    "UNP:Q48A34",
    "UNP:Q4AE24",
    "UNP:Q4JFN6",
    "UNP:Q4Q3K2",
    "UNP:Q4QEN5",
    "UNP:Q4W6G0",
    "UNP:Q50925",
    "UNP:Q50927",
    "UNP:Q51479",
    "UNP:Q51658",
    "UNP:Q52369",
    "UNP:Q55013",
    "UNP:Q57038",
    "UNP:Q57142",
    "UNP:Q59646",
    "UNP:Q59647",
    "UNP:Q5ABS1",
    "UNP:Q5DW50",
    "UNP:Q5F5Z9",
    "UNP:Q5FTD1",
    "UNP:Q5FTD2",
    "UNP:Q5S3G4",
    "UNP:Q5SH67",
    "UNP:Q5SLI2",
    "UNP:Q5SME3",
    "UNP:Q6C0H4",
    "UNP:Q6C2E3",
    "UNP:Q6C387",
    "UNP:Q6C3K7",
    "UNP:Q6CC60",
    "UNP:Q6CG23",
    "UNP:Q6CGP7",
    "UNP:Q6CGY9",
    "UNP:Q6CI02",
    "UNP:Q6QAY0",
    "UNP:Q6QAY1",
    "UNP:Q6QAY2",
    "UNP:Q6QAY4",
    "UNP:Q6QAY5",
    "UNP:Q6QIV4",
    "UNP:Q6QIV8",
    "UNP:Q6QIV9",
    "UNP:Q6S7R7",
    "UNP:Q6TH88",
    "UNP:Q6UKY3",
    "UNP:Q6UKY4",
    "UNP:Q6UKY7",
    "UNP:Q6UKY8",
    "UNP:Q6UKY9",
    "UNP:Q6UP28",
    "UNP:Q6UP29",
    "UNP:Q6UP30",
    "UNP:Q6UP31",
    "UNP:Q6UP32",
    "UNP:Q6V502",
    "UNP:Q6V504",
    "UNP:Q6V505",
    "UNP:Q6V506",
    "UNP:Q6V9A8",
    "UNP:Q6V9A9",
    "UNP:Q6V9B0",
    "UNP:Q6V9B1",
    "UNP:Q6V9B3",
    "UNP:Q6VAL8",
    "UNP:Q6VAL9",
    "UNP:Q6XBJ5",
    "UNP:Q6XBJ6",
    "UNP:Q6XBJ7",
    "UNP:Q6XBJ8",
    "UNP:Q6XBJ9",
    "UNP:Q6XCI5",
    "UNP:Q71K68",
    "UNP:Q72EF3",
    "UNP:Q72EF4",
    "UNP:Q746G4",
    "UNP:Q748R4",
    "UNP:Q748R5",
    "UNP:Q74A86",
    "UNP:Q74AE4",
    "UNP:Q74BG5",
    "UNP:Q74BP5",
    "UNP:Q74CB3",
    "UNP:Q74FL3",
    "UNP:Q74FY6",
    "UNP:Q76FN8",
    "UNP:Q76IQ6",
    "UNP:Q79VD7",
    "UNP:Q79VE8",
    "UNP:Q79VE9",
    "UNP:Q7BQR5",
    "UNP:Q7DGD4",
    "UNP:Q7IIB7",
    "UNP:Q7SIA4",
    "UNP:Q7TMF3",
    "UNP:Q7U624",
    "UNP:Q7X0P3",
    "UNP:Q82V11",
    "UNP:Q82W71",
    "UNP:Q83XC9",
    "UNP:Q83XD0",
    "UNP:Q83XD1",
    "UNP:Q84K56",
    "UNP:Q86Y39",
    "UNP:Q87MF5",
    "UNP:Q8BK30",
    "UNP:Q8CM25",
    "UNP:Q8DHA7",
    "UNP:Q8DHJ2",
    "UNP:Q8DIF8",
    "UNP:Q8DIN8",
    "UNP:Q8DIN9",
    "UNP:Q8DIP0",
    "UNP:Q8DIQ0",
    "UNP:Q8DIQ1",
    "UNP:Q8DIV4",
    "UNP:Q8DJ43",
    "UNP:Q8DJE2",
    "UNP:Q8DJI1",
    "UNP:Q8DJZ6",
    "UNP:Q8DKM3",
    "UNP:Q8DM36",
    "UNP:Q8E9W8",
    "UNP:Q8EAC7",
    "UNP:Q8EDL6",
    "UNP:Q8EG34",
    "UNP:Q8GGK7",
    "UNP:Q8GR64",
    "UNP:Q8GT36",
    "UNP:Q8GTB5",
    "UNP:Q8HAX7",
    "UNP:Q8HEB4",
    "UNP:Q8K3J1",
    "UNP:Q8KG95",
    "UNP:Q8KX15",
    "UNP:Q8LK22",
    "UNP:Q8NMB4",
    "UNP:Q8NNK2",
    "UNP:Q8NNK3",
    "UNP:Q8NNK5",
    "UNP:Q8NP09",
    "UNP:Q8NS61",
    "UNP:Q8NSJ8",
    "UNP:Q8NTD4",
    "UNP:Q8R1I1",
    "UNP:Q8SPJ9",
    "UNP:Q8VE49",
    "UNP:Q8VNU2",
    "UNP:Q8VUS7",
    "UNP:Q8VUS8",
    "UNP:Q8VUT0",
    "UNP:Q8VW82",
    "UNP:Q8VW85",
    "UNP:Q8WKJ8",
    "UNP:Q91VD9",
    "UNP:Q91WD5",
    "UNP:Q91YT0",
    "UNP:Q92M24",
    "UNP:Q92M25",
    "UNP:Q939U1",
    "UNP:Q939U4",
    "UNP:Q93VA3",
    "UNP:Q950X9",
    "UNP:Q950Y0",
    "UNP:Q950Y2",
    "UNP:Q950Y3",
    "UNP:Q950Y4",
    "UNP:Q950Y6",
    "UNP:Q950Y7",
    "UNP:Q950Y9",
    "UNP:Q950Z0",
    "UNP:Q950Z1",
    "UNP:Q950Z3",
    "UNP:Q950Z4",
    "UNP:Q950Z5",
    "UNP:Q950Z7",
    "UNP:Q951A3",
    "UNP:Q951A7",
    "UNP:Q951B1",
    "UNP:Q951B2",
    "UNP:Q951B4",
    "UNP:Q951C2",
    "UNP:Q99KD6",
    "UNP:Q99LC3",
    "UNP:Q99LY9",
    "UNP:Q9AEL8",
    "UNP:Q9AU02",
    "UNP:Q9AU05",
    "UNP:Q9B6D0",
    "UNP:Q9CPP6",
    "UNP:Q9CPQ1",
    "UNP:Q9CPU2",
    "UNP:Q9CPX8",
    "UNP:Q9CQ54",
    "UNP:Q9CQ69",
    "UNP:Q9CQ75",
    "UNP:Q9CQ91",
    "UNP:Q9CQB4",
    "UNP:Q9CQC7",
    "UNP:Q9CQH3",
    "UNP:Q9CQJ8",
    "UNP:Q9CQY9",
    "UNP:Q9CQZ5",
    "UNP:Q9CQZ6",
    "UNP:Q9CR21",
    "UNP:Q9CR61",
    "UNP:Q9CR68",
    "UNP:Q9CXZ1",
    "UNP:Q9CZ13",
    "UNP:Q9D0M3",
    "UNP:Q9D6J5",
    "UNP:Q9D6J6",
    "UNP:Q9D855",
    "UNP:Q9D8B4",
    "UNP:Q9DB77",
    "UNP:Q9DC69",
    "UNP:Q9DC70",
    "UNP:Q9DCJ5",
    "UNP:Q9DCS9",
    "UNP:Q9DCT2",
    "UNP:Q9ERS2",
    "UNP:Q9F1K9",
    "UNP:Q9F1L5",
    "UNP:Q9F1R6",
    "UNP:Q9F3S9",
    "UNP:Q9FQ96",
    "UNP:Q9FV97",
    "UNP:Q9HTQ4",
    "UNP:Q9HVY4",
    "UNP:Q9HVY5",
    "UNP:Q9HVY6",
    "UNP:Q9HWP8",
    "UNP:Q9I3G2",
    "UNP:Q9I3G4",
    "UNP:Q9I3G5",
    "UNP:Q9I609",
    "UNP:Q9L915",
    "UNP:Q9LA15",
    "UNP:Q9LA16",
    "UNP:Q9LCV0",
    "UNP:Q9M3L0",
    "UNP:Q9NX14",
    "UNP:Q9P0J0",
    "UNP:Q9P3B2",
    "UNP:Q9P4W1",
    "UNP:Q9P7E0",
    "UNP:Q9P7X1",
    "UNP:Q9R638",
    "UNP:Q9RN68",
    "UNP:Q9RQB9",
    "UNP:Q9S1E5",
    "UNP:Q9TDR1",
    "UNP:Q9UDW1",
    "UNP:Q9UI09",
    "UNP:Q9UTF6",
    "UNP:Q9WXD9",
    "UNP:Q9WXE0",
    "UNP:Q9WXE1",
    "UNP:Q9WXE2",
    "UNP:Q9WXE3",
    "UNP:Q9XCU0",
    "UNP:Q9XN18",
    "UNP:Q9XN19",
    "UNP:Q9XPB4",
    "UNP:Q9Y6M9",
    "UNP:Q9Z1P6",
    "UNP:Q9Z4P4",
    "UNP:S7UK06",
    "UNP:S7UR33",
    "UNP:S7UTB5",
    "UNP:S7UVH4",
    "UNP:S7VSS5",
    "UNP:S7W617",
    "UNP:S7W9J5",
    "UNP:S8EQL3",
    "UNP:S8GED8",
    "UNP:T2G9Q2",
    "UNP:V9JN72",
    "UNP:W0DLP1",
    "UNP:W7WZP1",
    "UNP:W7X287",
    "UNP:W7X3D6",
    "UNP:W7X4J9",
    "UNP:W7X4R4",
    "UNP:W7XBF5",
    "UNP:W7XCY5",
    "UNP:W7XDM6",
    "UNP:W7XF00"
   ]
  },
  {
   "line": 11389,
   "comp_id": "AY2",
   "ikey_connectivity": "JHSSJXJMVDONGC",
   "smiles": "CCOc1ccc(C(C)=O)cc1-c1cc(NC(=O)c2ccco2)cc(-c2ccn(C)n2)c1",
   "targets": [
    "UNP:O60885",
    "UNP:Q92793"
   ]
  },
  {
   "line": 2382,
   "comp_id": "3RU",
   "ikey_connectivity": "YOUIXYWUUXULRM",
   "smiles": "Nc1nc2ccccc2cc1CCC(=O)NCC1CCCCC1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 5081,
   "comp_id": "7KN",
   "ikey_connectivity": "STLUWEWHBPWICK",
   "smiles": "[N-]=Cc1nc(N2CCOCC2)nc(N(Cc2cnccn2)C2CCCC2)n1",
   "targets": [
    "UNP:P07711"
   ]
  },
  {
   "line": 16774,
   "comp_id": "J57",
   "ikey_connectivity": "CIHKFLQGYXDCJN",
   "smiles": "CC(C)c1cccc(-c2cc(C=CC(=O)O)ccc2O)c1",
   "targets": [
    "UNP:P19793"
   ]
  },
  {
   "line": 25024,
   "comp_id": "VQ7",
   "ikey_connectivity": "FLCSHCSBIFPQJJ",
   "smiles": "Cn1c(N2CCS(=O)(=O)CC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O",
   "targets": [
    "UNP:Q13093"
   ]
  },
  {
   "line": 14566,
   "comp_id": "FVQ",
   "ikey_connectivity": "GMPRLXFHQUHVDW",
   "smiles": "OCC1OC(OCC#Cc2cccnc2)C(O)C(O)C1O",
   "targets": [
    "UNP:P08191"
   ]
  },
  {
   "line": 4922,
   "comp_id": "7DS",
   "ikey_connectivity": "LCHKINZSWVDWJQ",
   "smiles": "COC(=O)Nc1ccc2c(c1)NC(=O)CCC=CCC(NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1",
   "targets": [
    "UNP:P03951"
   ]
  },
  {
   "line": 27786,
   "comp_id": "ZZ7",
   "ikey_connectivity": "KDAWOPKDXRJNHV",
   "smiles": "CC1(C)SC(C(NC(=O)C(N)c2ccccc2)C(=O)O)NC1C(=O)O",
   "targets": [
    "UNP:A0A024FRL9",
    "UNP:A0A0H2WY27",
    "UNP:A0A0R0CLX2",
    "UNP:A0A1C9A1J1",
    "UNP:C7C422",
    "UNP:E9NWK5",
    "UNP:P14489",
    "UNP:P35747",
    "UNP:Q182Z0",
    "UNP:Q9F663"
   ]
  },
  {
   "line": 12445,
   "comp_id": "CN5",
   "ikey_connectivity": "UKWPDXFRXMWSMQ",
   "smiles": "CCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCC(O)COP(=O)(O)OCCCOC(C)=O",
   "targets": [
    "UNP:P00044",
    "UNP:P00127",
    "UNP:P00128",
    "UNP:P00163",
    "UNP:P00401",
    "UNP:P00410",
    "UNP:P00420",
    "UNP:P00424",
    "UNP:P00427",
    "UNP:P04037",
    "UNP:P04039",
    "UNP:P07143",
    "UNP:P07255",
    "UNP:P07256",
    "UNP:P07257",
    "UNP:P08067",
    "UNP:P08525",
    "UNP:P10174",
    "UNP:P22289",
    "UNP:P32799",
    "UNP:P37299",
    "UNP:Q01519",
    "UNP:Q2V2P9"
   ]
  },
  {
   "line": 17970,
   "comp_id": "KTI",
   "ikey_connectivity": "BHUCHFWWYNHHHM",
   "smiles": "COc1ccc(NC(=O)C=C(Cl)S(=O)(=O)Cc2ccccc2Cl)nc1",
   "targets": [
    "UNP:I6Y9J2"
   ]
  },
  {
   "line": 16735,
   "comp_id": "J3B",
   "ikey_connectivity": "IZWNURHHAQZXMJ",
   "smiles": "N=C(N)c1ccc(NC(=O)C2CCCNC2=O)cc1",
   "targets": [
    "UNP:Q92876"
   ]
  },
  {
   "line": 19513,
   "comp_id": "N9Z",
   "ikey_connectivity": "JFENAOLGJWVSCK",
   "smiles": "Cn1cc(Nc2nc(NC3(C)CC3)c3nc(CC#N)ccc3n2)cn1",
   "targets": [
    "UNP:Q9NWZ3"
   ]
  },
  {
   "line": 5643,
   "comp_id": "8C3",
   "ikey_connectivity": "DRDIHUMOFDGYRJ",
   "smiles": "CCN(CC)CCCNC(=O)Cn1nc(C)n2c(cc3sccc32)c1=O",
   "targets": [
    "UNP:Q96T88"
   ]
  },
  {
   "line": 23775,
   "comp_id": "TV0",
   "ikey_connectivity": "NCKQSFKRXULRQX",
   "smiles": "Nc1ccn(C2SC(O)(CO)C(O)C2O)c(=O)n1",
   "targets": [
    "UNP:I1ZAZ3"
   ]
  },
  {
   "line": 19379,
   "comp_id": "N2U",
   "ikey_connectivity": "KITXNGADRUMEPM",
   "smiles": "CCOC(=O)C1=CCC(C(=O)OC)(c2cc3ccccc3n2C)NC1C(=O)OC(C)(C)C",
   "targets": [
    "UNP:P14902"
   ]
  },
  {
   "line": 27773,
   "comp_id": "ZY6",
   "ikey_connectivity": "YBRZCAKSBYWZTC",
   "smiles": "NCC1CN(c2c(-c3ccccc3)cnc3[nH]ncc23)CCO1",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 15715,
   "comp_id": "HJX",
   "ikey_connectivity": "COUQHIRIFUVLDU",
   "smiles": "CCCCCCCCCCCCCCOc1cccc(O)c1C(=O)O",
   "targets": [
    "UNP:P0AD57",
    "UNP:P60472"
   ]
  },
  {
   "line": 3789,
   "comp_id": "5TI",
   "ikey_connectivity": "IXYLVJHFJKDHRM",
   "smiles": "COc1ccc(C=CC=C2C(=O)NC(=O)NC2=O)cc1",
   "targets": [
    "UNP:E9AI53",
    "UNP:Q99ZN4"
   ]
  },
  {
   "line": 6828,
   "comp_id": "9Y0",
   "ikey_connectivity": "DVXMEPWDARXHCX",
   "smiles": "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC",
   "targets": [
    "UNP:A0A2U9PNL2",
    "UNP:A0QQQ1",
    "UNP:A0QVH4",
    "UNP:A0QVL2",
    "UNP:A0R049",
    "UNP:A0R050",
    "UNP:A0R051",
    "UNP:A0R052",
    "UNP:A0R056",
    "UNP:A0R057",
    "UNP:A0R1B5",
    "UNP:A0R1B6",
    "UNP:A0R562",
    "UNP:B1MDD0",
    "UNP:B1MDZ6",
    "UNP:B1MGY1",
    "UNP:B1MIN6",
    "UNP:B1MMU1",
    "UNP:B1MMU2",
    "UNP:B1MNZ2",
    "UNP:B1MNZ3",
    "UNP:B1MNZ7",
    "UNP:B1MNZ8",
    "UNP:B1MNZ9",
    "UNP:B1MP00",
    "UNP:I7FGS8",
    "UNP:I7FHC3",
    "UNP:I7FPH1",
    "UNP:I7GD61",
    "UNP:P03959",
    "UNP:P03960",
    "UNP:P03961",
    "UNP:P36937",
    "UNP:P9WH23",
    "UNP:P9WP35",
    "UNP:P9WP37"
   ]
  },
  {
   "line": 2148,
   "comp_id": "3EH",
   "ikey_connectivity": "WVYHFPSGWCCXMO",
   "smiles": "CCN(CC)CCCOC(=O)Nc1cccc(CN2N=C(c3ccc(OC)c(OC)c3)CSC2=O)c1",
   "targets": [
    "UNP:P08581"
   ]
  },
  {
   "line": 17245,
   "comp_id": "JSA",
   "ikey_connectivity": "MDBNEGOGGFLHNH",
   "smiles": "CCCCCCCCCCCC(O)NS(=O)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:P9WQ37"
   ]
  },
  {
   "line": 8046,
   "comp_id": "A1BOK",
   "ikey_connectivity": "HVQIWPCPNWMLEJ",
   "smiles": "NC(=O)C1CCN(C(=O)Cc2cc(C(F)(F)F)ccc2Cl)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 6143,
   "comp_id": "912",
   "ikey_connectivity": "FJOOAAAPKODUJU",
   "smiles": "Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(C(=O)NC3CCC(C)(O)CC3)c2)s1",
   "targets": [
    "UNP:P29317"
   ]
  },
  {
   "line": 4089,
   "comp_id": "67Z",
   "ikey_connectivity": "BLBIXVAZFDEMKW",
   "smiles": "COc1ccc(OC)c(C2CCCN2C(=O)CNC(=O)NCc2ccc(N)cc2)c1",
   "targets": [
    "UNP:P30405"
   ]
  },
  {
   "line": 10788,
   "comp_id": "A1LWC",
   "ikey_connectivity": "LFMVGCLSSWANEO",
   "smiles": "CC(=CCc1c(O)c(C)c2c(c1O)C(=O)OC2)CCC=C(C)CCC(=O)O",
   "targets": [
    "UNP:A0A0B5L781"
   ]
  },
  {
   "line": 6674,
   "comp_id": "9QA",
   "ikey_connectivity": "CITWIBXKKHFDFM",
   "smiles": "O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1",
   "targets": [
    "UNP:Q93009"
   ]
  },
  {
   "line": 1264,
   "comp_id": "205",
   "ikey_connectivity": "XVNRKPCHMYOPPL",
   "smiles": "O=C(O)c1ccc2nc(-c3c(Cl)cccc3Cl)oc2c1",
   "targets": [
    "UNP:P02766"
   ]
  },
  {
   "line": 9679,
   "comp_id": "A1IBV",
   "ikey_connectivity": "NCQBXRVQMFGJAV",
   "smiles": "Cc1cc(-c2nc(Cl)cn2Cc2ccccc2)cn(C)c1=O",
   "targets": [
    "UNP:P25440"
   ]
  },
  {
   "line": 5322,
   "comp_id": "7VZ",
   "ikey_connectivity": "QYEZJVLETJURBN",
   "smiles": "COC(=O)c1cc(S(N)(=O)=O)c(SC2CCCCC2)cc1Cl",
   "targets": [
    "UNP:O43570",
    "UNP:P00918",
    "UNP:Q16790"
   ]
  },
  {
   "line": 25699,
   "comp_id": "WTD",
   "ikey_connectivity": "YORHGKVJYLNOPJ",
   "smiles": "COc1cc(CCNC(=O)c2[nH]c(-c3c(F)cccc3F)nc(=O)c2O)ccc1O",
   "targets": [
    "UNP:C3W5S0",
    "UNP:C6H0Y9"
   ]
  },
  {
   "line": 11242,
   "comp_id": "AOM",
   "ikey_connectivity": "CBMYJHIOYJEBSB",
   "smiles": "CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O",
   "targets": [
    "UNP:P04278",
    "UNP:P51857"
   ]
  },
  {
   "line": 4014,
   "comp_id": "64I",
   "ikey_connectivity": "MOFZHBRFFAIMKM",
   "smiles": "Oc1c(F)c(F)c(-c2c(F)c(F)c(O)c(F)c2F)c(F)c1F",
   "targets": [
    "UNP:O60218",
    "UNP:P15121"
   ]
  },
  {
   "line": 9284,
   "comp_id": "A1EUE",
   "ikey_connectivity": "FSLJFTJKQGKJNZ",
   "smiles": "CN(C)c1ccc2cc(C=CC3=[N+](C)c4ccccc4C3(C)C)ccc2c1",
   "targets": [
    "UNP:P05067"
   ]
  },
  {
   "line": 20021,
   "comp_id": "O4O",
   "ikey_connectivity": "ZOSHTHBGGSWZFP",
   "smiles": "Cc1c(C(=O)C2=C(O)CCCC2=O)ccc2c1n(CC1CCOCC1)c(=O)n2C",
   "targets": [
    "UNP:P93836"
   ]
  },
  {
   "line": 21577,
   "comp_id": "QHU",
   "ikey_connectivity": "ATZNGVMHQNZVPP",
   "smiles": "O=C(Nc1cncc2ccccc12)C1CCOc2cc(Cl)c(Cl)cc21",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 13828,
   "comp_id": "EQR",
   "ikey_connectivity": "IBSCUNBMGSFHGD",
   "smiles": "O=C(O)CCc1nn2c3ccccc3n(CC(=O)O)c2nc1=O",
   "targets": [
    "UNP:Q8N884"
   ]
  },
  {
   "line": 17536,
   "comp_id": "K6M",
   "ikey_connectivity": "UTBTYWGTMLPLJP",
   "smiles": "CC(C)(C)NCCCNC(=O)c1cccc(C(F)(F)F)c1",
   "targets": [
    "UNP:Q12888"
   ]
  },
  {
   "line": 4232,
   "comp_id": "6F8",
   "ikey_connectivity": "RMTXUPIIESNLPW",
   "smiles": "CCCC=CCC=CCCCCCCCc1cccc(O)c1O",
   "targets": [
    "UNP:P06126",
    "UNP:P61769"
   ]
  },
  {
   "line": 9610,
   "comp_id": "A1I70",
   "ikey_connectivity": "LGXSIEAJQHZERP",
   "smiles": "COc1cc(C=CC(=O)NC(Cc2ccccc2)C(=O)O)ccc1O",
   "targets": [
    "UNP:A0A3Q7HTY9"
   ]
  },
  {
   "line": 25725,
   "comp_id": "WUQ",
   "ikey_connectivity": "NNRHRDJYTZZMMS",
   "smiles": "CC1CC(c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)(c2nncn2C)C1",
   "targets": [
    "UNP:Q13191"
   ]
  },
  {
   "line": 22396,
   "comp_id": "RLL",
   "ikey_connectivity": "BCJNRNBOQWJRIM",
   "smiles": "CC(O)(COc1ccc(C#N)c2ccccc12)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1",
   "targets": [
    "UNP:P10275"
   ]
  },
  {
   "line": 13321,
   "comp_id": "E23",
   "ikey_connectivity": "RYYHDFPDKHYSSE",
   "smiles": "CC(C)(C)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1",
   "targets": [
    "UNP:O44074",
    "UNP:P92506",
    "UNP:P92507",
    "UNP:Q33862"
   ]
  },
  {
   "line": 16909,
   "comp_id": "JC4",
   "ikey_connectivity": "GCARVRRYRBFOAI",
   "smiles": "O=C(O)c1cc(-c2ccccc2OC2OC(CO)C(O)C(O)C2O)cc([N+](=O)[O-])c1",
   "targets": [
    "UNP:P77588"
   ]
  },
  {
   "line": 7161,
   "comp_id": "A1AD5",
   "ikey_connectivity": "ONZIOCUDSJAMDE",
   "smiles": "COC(=O)C1=CC23CCCCC2C2CC(C4CCCC(C)N4)C(C)(O3)C12",
   "targets": [
    "UNP:P41145",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096"
   ]
  },
  {
   "line": 3265,
   "comp_id": "54M",
   "ikey_connectivity": "MLDNPVIFXVSEGX",
   "smiles": "COc1ccc(C2(c3cccc(-c4cncnc4)c3)CCC(N)=N2)cc1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 1526,
   "comp_id": "2EB",
   "ikey_connectivity": "UJOHHPWMXXTHSR",
   "smiles": "O=C(NCCCNCc1cc(Cl)cc(I)c1O)Nc1ccsc1",
   "targets": [
    "UNP:Q38C91"
   ]
  },
  {
   "line": 13369,
   "comp_id": "E48",
   "ikey_connectivity": "DBANTQMQBSPBCW",
   "smiles": "CC1(C)OC2COC3(CNc4nc5cc6c(=O)[nH]c(N)nc6cc5[nH]4)OC(C)(C)OC3C2O1",
   "targets": [
    "UNP:P28720"
   ]
  },
  {
   "line": 27500,
   "comp_id": "ZI7",
   "ikey_connectivity": "ZVALMTAWSBJQSN",
   "smiles": "NC(=O)c1c(F)ccc(OCc2nc3cc(C(F)(F)F)cnc3s2)c1F",
   "targets": [
    "UNP:Q6GHP9"
   ]
  },
  {
   "line": 1982,
   "comp_id": "343",
   "ikey_connectivity": "YRZNVYCMTZKRPJ",
   "smiles": "CC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)P(=O)(O)OC(C(=O)O)c1cccc(NC(=N)N)c1",
   "targets": [
    "UNP:P09955"
   ]
  },
  {
   "line": 25480,
   "comp_id": "WHE",
   "ikey_connectivity": "AJPANELCEAKRHE",
   "smiles": "CNC(=O)c1cc(-n2ncc3cc(Nc4c(F)cccc4Cl)c(CN4CCC4)cc32)cs1",
   "targets": [
    "UNP:P47811",
    "UNP:P53779"
   ]
  },
  {
   "line": 1836,
   "comp_id": "2WB",
   "ikey_connectivity": "TZJRKMIARISSGE",
   "smiles": "O=C(O)Cc1ccccc1-c1ccc(-c2cccc([N+](=O)[O-])c2)o1",
   "targets": [
    "UNP:P15121"
   ]
  },
  {
   "line": 182,
   "comp_id": "0C0",
   "ikey_connectivity": "RSUKUXYTJJCQKG",
   "smiles": "O=C(O)c1ccc(Nc2nccc(Nc3ccccc3-c3ccccc3)n2)cc1",
   "targets": [
    "UNP:O14965"
   ]
  },
  {
   "line": 22758,
   "comp_id": "S4X",
   "ikey_connectivity": "LNPBEFQJZLIQLX",
   "smiles": "O=C(CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1)NC12CC3CC(CC(O)(C3)C1)C2",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 17751,
   "comp_id": "KHM",
   "ikey_connectivity": "PHGTYMRDHDEHLI",
   "smiles": "O=C(NC1CCCCC1C(=O)O)c1cnn2c(O)cc(-c3ccccc3)nc12",
   "targets": [
    "UNP:Q8N884"
   ]
  },
  {
   "line": 27349,
   "comp_id": "Z18",
   "ikey_connectivity": "ZTAVKALHSBCIRD",
   "smiles": "CCC1OC(=O)C(C)C(OC(=O)CN(C)C)C(C)CC(C)C(=O)C=CC1C",
   "targets": [
    "UNP:O87605"
   ]
  },
  {
   "line": 10128,
   "comp_id": "A1IYY",
   "ikey_connectivity": "SRBXBEVOYNFMHC",
   "smiles": "COc1ccc(C=C2SC(=Nc3cccc(F)c3)NC2=O)cc1O",
   "targets": [
    "UNP:P68400"
   ]
  },
  {
   "line": 22346,
   "comp_id": "RJA",
   "ikey_connectivity": "SSWVBXXPYARFKL",
   "smiles": "CC=CC1OC(C(O)C=CC=C(C)CC(C)C=C(C)C=CC(O)CCCC(=O)O)CC(O)C1C",
   "targets": [
    "UNP:P30822",
    "UNP:P41920",
    "UNP:P62826"
   ]
  },
  {
   "line": 11880,
   "comp_id": "BPZ",
   "ikey_connectivity": "SDDLEVPIDBLVHC",
   "smiles": "Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1",
   "targets": [
    "UNP:D6N7U3",
    "UNP:P62508"
   ]
  },
  {
   "line": 16234,
   "comp_id": "IEQ",
   "ikey_connectivity": "JABKJLQKEVJGOT",
   "smiles": "Cc1cc(NC(=O)c2c(O)nn3ccccc23)c(C(C)C)cc1Oc1ccccc1",
   "targets": [
    "UNP:Q02127"
   ]
  },
  {
   "line": 26672,
   "comp_id": "Y67",
   "ikey_connectivity": "OMFBUEFMMHUWOX",
   "smiles": "O=C(Cn1nnc2ccccc21)N(Cc1cccc(Cl)c1)c1ccc(-c2ccc[nH]c2=O)cc1",
   "targets": [
    "UNP:P0C6U8"
   ]
  },
  {
   "line": 22316,
   "comp_id": "RHO",
   "ikey_connectivity": "KGFLZYXDJDOIEE",
   "smiles": "CN(C)C1=CCC2=C(c3ccc(N4C(=O)C=CC4=O)cc3C(=O)O)c3ccc(N(C)C)cc3OC2=C1",
   "targets": [
    "UNP:P68135"
   ]
  },
  {
   "line": 23722,
   "comp_id": "TQT",
   "ikey_connectivity": "HDQIGGQUKAQTGU",
   "smiles": "NC1NC(N)C2CC(CN3CCC4CCCCC43)CCC2N1",
   "targets": [
    "UNP:P00374"
   ]
  },
  {
   "line": 11870,
   "comp_id": "BPB",
   "ikey_connectivity": "SFKCKJXMIAKQMY",
   "smiles": "CC=C1c2cc3[nH]c4c(c3C)C(=O)C(C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)C1C)c(C(C)=O)c4C)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C",
   "targets": [
    "UNP:A0A348FW44",
    "UNP:A0A348FW70",
    "UNP:A0A348FW71",
    "UNP:A0A348FW72",
    "UNP:A0A348FW73",
    "UNP:A0A348FW74",
    "UNP:A0A348G0X9",
    "UNP:A0A348G0Y0",
    "UNP:A0AAJ6N6C1",
    "UNP:A7NQE7",
    "UNP:A7NQE8",
    "UNP:A7NQE9",
    "UNP:P04123",
    "UNP:P04124",
    "UNP:P04126",
    "UNP:P06008",
    "UNP:P06009",
    "UNP:P06010",
    "UNP:P07173",
    "UNP:P13402",
    "UNP:Q3J170",
    "UNP:Q3J1A3",
    "UNP:Q3J1A4",
    "UNP:Q3J1A5",
    "UNP:Q3J1A6",
    "UNP:Q83XD1",
    "UNP:U5NME9"
   ]
  },
  {
   "line": 10299,
   "comp_id": "A1JGI",
   "ikey_connectivity": "ULGRLEZJIFPGJR",
   "smiles": "CN(C(=O)Cn1nnc2ccccc21)C(C(N)=O)c1cccc(F)c1",
   "targets": [
    "UNP:P0DTC1"
   ]
  },
  {
   "line": 23659,
   "comp_id": "TNA",
   "ikey_connectivity": "PCXSNYIAEDAACL",
   "smiles": "NC(CCNC(CCNC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O",
   "targets": [
    "UNP:O26771"
   ]
  },
  {
   "line": 24276,
   "comp_id": "ULV",
   "ikey_connectivity": "CDISOBGWDHAHGF",
   "smiles": "Nc1nccn2c(C3CCC4COC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12",
   "targets": [
    "UNP:Q06187"
   ]
  },
  {
   "line": 1270,
   "comp_id": "20H",
   "ikey_connectivity": "GMAWQTHVIIUMFA",
   "smiles": "O=C(NCCS)C1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 4422,
   "comp_id": "6PD",
   "ikey_connectivity": "LPCWQWNRCGWRFC",
   "smiles": "O=C(c1ccc(C(=O)N2CCC(CCN3CCCC3)CC2)c(Nc2ccc(OCN3CCCC3)cc2)c1)N1CCC(CCN2CCCC2)CC1",
   "targets": [
    "UNP:Q9Y657"
   ]
  },
  {
   "line": 24375,
   "comp_id": "UQZ",
   "ikey_connectivity": "BMXUYKHPBOFWRQ",
   "smiles": "C=CC(=O)N(CCC)C(C(=O)NCc1ccc2c(c1)OCO2)c1cccc(O)c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 9412,
   "comp_id": "A1H4O",
   "ikey_connectivity": "SNJYYFZIOCXQLC",
   "smiles": "CC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)c[nH]c3c2)CC1",
   "targets": [
    "UNP:Q06124"
   ]
  },
  {
   "line": 10716,
   "comp_id": "A1L7X",
   "ikey_connectivity": "FOBWZYOIZWJMHE",
   "smiles": "CCC(O)(CC)COc1ccc([Si](C)(C)c2ccc(OCC(O)CCC(=O)O)c(C(F)(F)F)c2)cc1C(F)(F)F",
   "targets": [
    "UNP:P13053",
    "UNP:Q15648"
   ]
  },
  {
   "line": 6162,
   "comp_id": "91S",
   "ikey_connectivity": "ICXZXYUITXWHGD",
   "smiles": "CCC(=O)N1CCN(c2ncnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 16284,
   "comp_id": "IHJ",
   "ikey_connectivity": "VWGLHPDSAYQVRM",
   "smiles": "CN1CCN(CCCOc2ccccc2Nc2nc(C#N)nc3c2ncn3C2CCCC2)CC1",
   "targets": [
    "UNP:P43235"
   ]
  },
  {
   "line": 12699,
   "comp_id": "D2F",
   "ikey_connectivity": "OJEFVGFDNJBOHB",
   "smiles": "CCCCC(=Cc1coc2nc(N)nc(N)c12)c1ccccc1OC",
   "targets": [
    "UNP:P00374"
   ]
  },
  {
   "line": 10044,
   "comp_id": "A1IUC",
   "ikey_connectivity": "ZYIBEMACOFTWFX",
   "smiles": "O=S(=O)(O)c1ccc(OCc2ccccc2)c2ccccc12",
   "targets": [
    "UNP:P54274"
   ]
  },
  {
   "line": 26494,
   "comp_id": "XXV",
   "ikey_connectivity": "XKCQCSLVYCUDFM",
   "smiles": "CC1COCCN1c1cc(C2(S(N)(=O)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1",
   "targets": [
    "UNP:P21675"
   ]
  },
  {
   "line": 17704,
   "comp_id": "KFF",
   "ikey_connectivity": "APDUDHYPFAMPGN",
   "smiles": "Nc1nc2c(ncn2C2CC(COCCP(=O)(O)O)N(C(=O)CCP(=O)(O)O)C2)c(=O)[nH]1",
   "targets": [
    "UNP:Q07010"
   ]
  },
  {
   "line": 3227,
   "comp_id": "52J",
   "ikey_connectivity": "ZISYTWICFLBNJQ",
   "smiles": "COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N2N=Cc3ccccc3C2CC(C)C)c1OC",
   "targets": [
    "UNP:Q81R22"
   ]
  },
  {
   "line": 22500,
   "comp_id": "RR0",
   "ikey_connectivity": "HANIMTZEYQYKPD",
   "smiles": "O=C(Nc1cncc2cc(F)ccc12)C12CC(C1)Oc1ccc(Cl)cc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 9202,
   "comp_id": "A1EOY",
   "ikey_connectivity": "JSSURHYEZWJPIL",
   "smiles": "Cc1cncn1Cc1ccc(-c2ccccc2)c(=O)[nH]1",
   "targets": [
    "UNP:Q16769"
   ]
  },
  {
   "line": 3870,
   "comp_id": "5XQ",
   "ikey_connectivity": "ZADCDCMLLGDCRM",
   "smiles": "COc1ccccc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1",
   "targets": [
    "UNP:P14780"
   ]
  },
  {
   "line": 26007,
   "comp_id": "X96",
   "ikey_connectivity": "HSKWJUIRLWHLHC",
   "smiles": "NCc1ccc(CNc2ccc([N+](=O)[O-])cc2C(N)=O)cc1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 19476,
   "comp_id": "N7S",
   "ikey_connectivity": "YIESVFNRTQHBOZ",
   "smiles": "NS(=O)(=O)c1ccc(O)c(NC(=O)NCCCCO)c1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 18860,
   "comp_id": "M5R",
   "ikey_connectivity": "DVFCRTGTEXUFIN",
   "smiles": "CC(C)CCNC1CCc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2C1",
   "targets": [
    "UNP:P17706"
   ]
  },
  {
   "line": 13717,
   "comp_id": "EKY",
   "ikey_connectivity": "YSUBLPUJDOWYDP",
   "smiles": "CCOc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)c(N)c1",
   "targets": [
    "UNP:P32418"
   ]
  },
  {
   "line": 10841,
   "comp_id": "A1LZP",
   "ikey_connectivity": "GITBURVOIOOMIM",
   "smiles": "CC=C1c2cc3[nH]c4c(c3C)C(=O)C(C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)C1C)c(C(C)=O)c4C)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C",
   "targets": [
    "UNP:A0A0X8X829",
    "UNP:A0A0X8X838",
    "UNP:A0A0X8X847",
    "UNP:A0A0X8X9B2",
    "UNP:A0A0X8XAH6",
    "UNP:A0A0X8XBE4",
    "UNP:A0A110B4Z6",
    "UNP:A0A120MZP7"
   ]
  },
  {
   "line": 26404,
   "comp_id": "XTD",
   "ikey_connectivity": "IVHJBJJHYFIUOA",
   "smiles": "Nc1scc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(=O)c1ccc(Cl)cc1",
   "targets": [
    "UNP:P04899",
    "UNP:P08173",
    "UNP:P30542",
    "UNP:P59768",
    "UNP:P62873"
   ]
  },
  {
   "line": 18308,
   "comp_id": "L9X",
   "ikey_connectivity": "QCPAUAAIPLHRLB",
   "smiles": "CCN1C(=O)CC(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C1=O",
   "targets": [
    "UNP:P03819",
    "UNP:P0A754"
   ]
  },
  {
   "line": 10430,
   "comp_id": "A1JNH",
   "ikey_connectivity": "JCYFYSMBHITKTP",
   "smiles": "FC(F)(F)c1cnc(Nc2ccc3c(c2)CCNC3)nc1NC1CC1",
   "targets": [
    "UNP:O75385",
    "UNP:Q8IYT8"
   ]
  },
  {
   "line": 430,
   "comp_id": "0RM",
   "ikey_connectivity": "JTBCYLJHKDNILB",
   "smiles": "COc1cccc(OC)c1C(=O)NC(C(=O)O)C1NC(C(=O)O)C(C)(C)S1",
   "targets": [
    "UNP:C7C422"
   ]
  },
  {
   "line": 19206,
   "comp_id": "MU1",
   "ikey_connectivity": "CZPLKLADANMGQQ",
   "smiles": "CC(=O)NC(C(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)C1CN(c2cccc(C(C)=O)c2)C(=O)O1)C(C)C",
   "targets": [
    "UNP:O38710"
   ]
  },
  {
   "line": 1770,
   "comp_id": "2T2",
   "ikey_connectivity": "WFNGIMUEXODKKQ",
   "smiles": "C#Cc1cccc(Cn2cc(CC(=O)O)c3ccccc32)c1",
   "targets": [
    "UNP:K4KA16"
   ]
  },
  {
   "line": 702,
   "comp_id": "170",
   "ikey_connectivity": "QOKFRQVFMZFNBC",
   "smiles": "O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1-n1cnnn1",
   "targets": [
    "UNP:P00734",
    "UNP:P28504"
   ]
  },
  {
   "line": 6612,
   "comp_id": "9N9",
   "ikey_connectivity": "LQJPGHNFADIMOG",
   "smiles": "C=C1C(O)CC(=CC=C2CCCC3(C)C2CCC3C(C)C(=O)C#CC=CC)CC1O",
   "targets": [
    "UNP:P13053",
    "UNP:Q15648"
   ]
  },
  {
   "line": 5084,
   "comp_id": "7KR",
   "ikey_connectivity": "LGIRRDHRFMYVGC",
   "smiles": "CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)CCc2cccc(c2)C(Nc2ccc3c(N)nccc3c2)C1=O",
   "targets": [
    "UNP:P08709"
   ]
  },
  {
   "line": 6419,
   "comp_id": "9EA",
   "ikey_connectivity": "VKKQBUSCPZGZBT",
   "smiles": "CC(=O)N1CCN(c2ccc(OCc3nn(C)c(C)c3-c3cccc4c(CCCOc5cccc6ccccc56)c(C(=O)O)n(Cc5cccnc5)c34)cc2)CC1",
   "targets": [
    "UNP:Q07820"
   ]
  },
  {
   "line": 17371,
   "comp_id": "JYI",
   "ikey_connectivity": "FRTYVAKGTFXRNY",
   "smiles": "CC1(C)CC=C(c2ccccc2)c2cc(C=Cc3ccc(C(=O)O)cc3Cl)ccc21",
   "targets": [
    "UNP:P10826",
    "UNP:Q15788"
   ]
  },
  {
   "line": 16039,
   "comp_id": "I2U",
   "ikey_connectivity": "IZSFDUMVCVVWKW",
   "smiles": "NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc21",
   "targets": [
    "UNP:P40879"
   ]
  },
  {
   "line": 1039,
   "comp_id": "1O6",
   "ikey_connectivity": "ICLINNCKFPTXOX",
   "smiles": "CC1CCC(C(=O)N(c2ccc(Oc3ccccc3)cc2C(=O)O)C(C)C)CC1",
   "targets": [
    "UNP:O92972"
   ]
  },
  {
   "line": 25937,
   "comp_id": "X5L",
   "ikey_connectivity": "SLYPAEUXHCDCFQ",
   "smiles": "CC(C)C(NC(=O)C(CS)NC(=O)CCCC(N)C(=O)O)S(=O)(=O)O",
   "targets": [
    "UNP:P05326"
   ]
  },
  {
   "line": 5670,
   "comp_id": "8DM",
   "ikey_connectivity": "GADGMZDHLQLZRI",
   "smiles": "Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1",
   "targets": [
    "UNP:P0ABQ4"
   ]
  },
  {
   "line": 1486,
   "comp_id": "2C1",
   "ikey_connectivity": "OKYOPMCSUZGIPB",
   "smiles": "CNC(=O)Nc1cc(Br)cc(NC(=O)NS(=O)(=O)c2cc(C)c(CCOC)s2)n1",
   "targets": [
    "UNP:P09467"
   ]
  },
  {
   "line": 11949,
   "comp_id": "BUN",
   "ikey_connectivity": "AYMYWHCQALZEGT",
   "smiles": "O=C(C=Cc1ccc(O)c(O)c1)c1ccc(O)cc1O",
   "targets": [
    "UNP:I6WYY7",
    "UNP:P9WFK1"
   ]
  },
  {
   "line": 15305,
   "comp_id": "GY1",
   "ikey_connectivity": "OEQZPFWOEOOISR",
   "smiles": "COc1ccc(CCC(OC(=O)C2CCCCN2C(=O)C(c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)c2cccc(OCC(=O)O)c2)cc1OC",
   "targets": [
    "UNP:Q13451"
   ]
  },
  {
   "line": 12624,
   "comp_id": "CZ0",
   "ikey_connectivity": "LDFBABFNEAVJKG",
   "smiles": "Cc1cc(=O)oc2cc3c([N+](=O)[O-])c(O)ccc3cc12",
   "targets": [
    "UNP:P28523"
   ]
  },
  {
   "line": 26697,
   "comp_id": "Y74",
   "ikey_connectivity": "GBIUNMWXQNMKGV",
   "smiles": "COc1ccc(CC2NC(=O)C=CCC(C(C)C3OC3c3ccccc3)OC(=O)C(CC(=O)O)OC(=O)C(C)(C)CNC2=O)cc1Cl",
   "targets": [
    "UNP:A0A8V0Z8P0",
    "UNP:P63043",
    "UNP:P81947",
    "UNP:Q6B856"
   ]
  },
  {
   "line": 16223,
   "comp_id": "IE2",
   "ikey_connectivity": "BBYVQBNYXZIDGW",
   "smiles": "Cc1ccc2c(n1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 2238,
   "comp_id": "3JH",
   "ikey_connectivity": "PHMXBPXKHLNRTM",
   "smiles": "CC(=O)NC(CC(C)C)C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C",
   "targets": [
    "UNP:P40337",
    "UNP:Q15369",
    "UNP:Q15370"
   ]
  },
  {
   "line": 26396,
   "comp_id": "XSZ",
   "ikey_connectivity": "JPNUGKISBPDCQB",
   "smiles": "Cn1c(C(=O)NC2COC2)cnc1COc1cc(Cl)c(C#N)cc1C(C)(C)C",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 18101,
   "comp_id": "KZN",
   "ikey_connectivity": "OBCUZJPWFQZKTN",
   "smiles": "COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1NC(=O)Cc1n[nH]c(=O)c2ccccc12",
   "targets": [
    "UNP:P9WN93"
   ]
  },
  {
   "line": 26730,
   "comp_id": "Y8E",
   "ikey_connectivity": "MTQYJJZLFPTHLU",
   "smiles": "COCCNC(=O)c1cccc(-c2cc(Cl)c(C)cc2OCc2n[nH]c(=O)n2C)c1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 16437,
   "comp_id": "IPC",
   "ikey_connectivity": "LRHXIDOGMBZJFN",
   "smiles": "Cc1ccc(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C(C)C)cc1",
   "targets": [
    "UNP:P26660"
   ]
  },
  {
   "line": 9746,
   "comp_id": "A1IFB",
   "ikey_connectivity": "ACJDTAHNIFCCHB",
   "smiles": "CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3nccs3)n21",
   "targets": [
    "UNP:Q53GL7"
   ]
  },
  {
   "line": 17395,
   "comp_id": "JZP",
   "ikey_connectivity": "XMAMZSZKRBFNLW",
   "smiles": "CC1(C)SCN(C(=O)C(O)C(Cc2ccccc2)NC(=O)COc2c(Cl)cccc2Cl)C1C(=O)NC1c2ccccc2CC1O",
   "targets": [
    "UNP:P03367"
   ]
  },
  {
   "line": 18935,
   "comp_id": "M9E",
   "ikey_connectivity": "RZNHDMVQBYDUNO",
   "smiles": "CNCC(=O)NCc1ccc(CNC(=O)CNC)cc1",
   "targets": [
    "UNP:Q00987"
   ]
  },
  {
   "line": 20716,
   "comp_id": "P4A",
   "ikey_connectivity": "GSBFARPNIZUMHA",
   "smiles": "COc1ccc(-c2c(-c3ccc(O)cc3O)n[nH]c2C)cc1",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 4614,
   "comp_id": "6Z4",
   "ikey_connectivity": "ZNSPHKJFQDEABI",
   "smiles": "Nc1nc(OC(c2ccc(Cl)cc2-c2ccccc2)C(F)(F)F)cc(N2CCC3(CC2)CNC(C(=O)O)C3)n1",
   "targets": [
    "UNP:P17752"
   ]
  },
  {
   "line": 25396,
   "comp_id": "WDI",
   "ikey_connectivity": "GBQFDYLJNZTZOS",
   "smiles": "O=C1C=C(O)CC(c2ccc(C(F)(F)F)cc2)C1",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 2260,
   "comp_id": "3KL",
   "ikey_connectivity": "KIQFUORWRVZTHT",
   "smiles": "CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C",
   "targets": [
    "UNP:P13053",
    "UNP:Q15648"
   ]
  },
  {
   "line": 2857,
   "comp_id": "4HE",
   "ikey_connectivity": "",
   "smiles": "C=CC1=C(C)c2cc3c(C=C)c(C)c4cc5[n]6->[Fe]7(<-[c-]8ccc(Cl)cc8)(<-[n]2c1cc1c(C)c(CCC(=O)[O-])c(cc6C(CCC(=O)[O-])=C5C)[n-]->71)<-[n-]43",
   "targets": [
    "UNP:P02185"
   ]
  },
  {
   "line": 19232,
   "comp_id": "MV4",
   "ikey_connectivity": "LGFLKSRFTIOLSI",
   "smiles": "Nc1ncc2cc(-c3cccc4ccccc34)c(N3CCC(N)C3)nc2n1",
   "targets": [
    "UNP:P43873"
   ]
  },
  {
   "line": 25560,
   "comp_id": "WMC",
   "ikey_connectivity": "ZJNGIMKXODSFLG",
   "smiles": "O=C1OCCCCC(=O)C(O)C(O)CCOc2cc(O)cc(O)c21",
   "targets": [
    "UNP:P63086"
   ]
  },
  {
   "line": 26758,
   "comp_id": "Y9J",
   "ikey_connectivity": "PAJMKGZZBBTTOY",
   "smiles": "CCCCCC(O)CCC1C(O)CC2Cc3c(cccc3OCC(=O)O)CC21",
   "targets": [
    "UNP:P43119",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63092"
   ]
  },
  {
   "line": 14349,
   "comp_id": "FJK",
   "ikey_connectivity": "UJAHYENXDKLQNE",
   "smiles": "O=C(Nc1cc(COCc2cn(CCNC3=c4ccccc4=NC4CCCCC34)nn2)ccn1)Nc1cccc2c1C1CCCCN1C2=O",
   "targets": [
    "UNP:P04058"
   ]
  },
  {
   "line": 8795,
   "comp_id": "A1D5D",
   "ikey_connectivity": "MZKKCMXXGCRPGX",
   "smiles": "CC(CCN)CC(C)(C)CNC(=O)C(Cc1cccc2ccccc12)NC(=O)N(CCc1ccccc1)CCc1ccccn1",
   "targets": [
    "UNP:P30872",
    "UNP:P59768",
    "UNP:P62873"
   ]
  },
  {
   "line": 26751,
   "comp_id": "Y99",
   "ikey_connectivity": "VYMLCXOMLAPNOR",
   "smiles": "CC(c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1)C(F)(F)F",
   "targets": [
    "UNP:Q9H999"
   ]
  },
  {
   "line": 23532,
   "comp_id": "TF2",
   "ikey_connectivity": "SHEIQJGQDUYUBE",
   "smiles": "CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(C)c1",
   "targets": [
    "UNP:Q15119"
   ]
  },
  {
   "line": 10068,
   "comp_id": "A1IVC",
   "ikey_connectivity": "YPPWKTIVYUTTEH",
   "smiles": "CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1",
   "targets": [
    "UNP:Q9GZU1"
   ]
  },
  {
   "line": 11888,
   "comp_id": "BQD",
   "ikey_connectivity": "MFZHXIHGHGFXNJ",
   "smiles": "CCC(=O)N1CCC(O)C1C(=O)Nc1ccc2cc(Br)ccc2c1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 632,
   "comp_id": "12Z",
   "ikey_connectivity": "GAZJAWWHSQBFHM",
   "smiles": "Nc1nc(NC2CCCCC2)sc1C(=O)c1cccnc1",
   "targets": [
    "UNP:P24941"
   ]
  },
  {
   "line": 22545,
   "comp_id": "RTQ",
   "ikey_connectivity": "HNHRFUYYWJLKLT",
   "smiles": "COc1ccc(CCC2OC(=O)C3CCCCN3C(=O)C(C3CCCCC3)NC(=O)CNC(=O)COc3cccc2c3)cc1OC",
   "targets": [
    "UNP:Q13451"
   ]
  },
  {
   "line": 3541,
   "comp_id": "5H5",
   "ikey_connectivity": "SIKYDKLGPWRPMZ",
   "smiles": "CC(Oc1ccc2c(c1)OCCn1cc(-c3ncnn3C(C)C)nc1-2)C(N)=O",
   "targets": [
    "UNP:P42336"
   ]
  },
  {
   "line": 7294,
   "comp_id": "A1AJI",
   "ikey_connectivity": "PQZYWGWWDMSQJB",
   "smiles": "Cc1[nH]c2ncnc(NC(=O)C3CCOC3C)c2c1C",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 4068,
   "comp_id": "671",
   "ikey_connectivity": "MRLPPIJHRIIWJS",
   "smiles": "Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2cccc3ccccc23)cc1",
   "targets": [
    "UNP:P30405"
   ]
  },
  {
   "line": 6444,
   "comp_id": "9FQ",
   "ikey_connectivity": "ZCXRKCCKXOHKLN",
   "smiles": "O=S1(=O)OC2C(O)C(O)C(O)C(CO)C2O1",
   "targets": [
    "UNP:F6BL85"
   ]
  },
  {
   "line": 15060,
   "comp_id": "GJQ",
   "ikey_connectivity": "GMVZOQXAUORTLW",
   "smiles": "NC1=NC(c2ccc([N+](=O)[O-])cc2)N(c2ccc(Cl)c(Cl)c2)C(N)=N1",
   "targets": [
    "UNP:O76290"
   ]
  },
  {
   "line": 22830,
   "comp_id": "S8F",
   "ikey_connectivity": "MFPWDFATUAKLEA",
   "smiles": "Fc1cccc(CCCNCc2ccnc(-n3ccnc3)n2)c1",
   "targets": [
    "UNP:P29476"
   ]
  },
  {
   "line": 12657,
   "comp_id": "D0D",
   "ikey_connectivity": "LPJIZDSOUGHTNB",
   "smiles": "CC(Nc1ncnc2ccc(-c3cnc(Cl)c(NS(C)(=O)=O)c3)cc12)c1ccccc1",
   "targets": [
    "UNP:P00533",
    "UNP:P37231"
   ]
  },
  {
   "line": 22267,
   "comp_id": "RF7",
   "ikey_connectivity": "RGWBBKVQKPJVGW",
   "smiles": "CN(O)C(=O)CC(CP(=O)(O)O)c1ccccc1",
   "targets": [
    "UNP:Q8IKG4"
   ]
  },
  {
   "line": 10433,
   "comp_id": "A1JNP",
   "ikey_connectivity": "YJODLKIDYNCMJI",
   "smiles": "CCON=C(C(=O)NC(C=O)C(C)NS(=O)(=O)O)c1nsc(N)n1",
   "targets": [
    "UNP:O70038"
   ]
  },
  {
   "line": 18854,
   "comp_id": "M55",
   "ikey_connectivity": "MYEUFSLWFIOAGY",
   "smiles": "O=C(OCc1ccccc1)C1OC(O)C(O)C(O)C1O",
   "targets": [
    "UNP:B1ZMF4"
   ]
  },
  {
   "line": 20548,
   "comp_id": "OVT",
   "ikey_connectivity": "OGPNUIVQHZNEJO",
   "smiles": "CC(C)CC(N)C(=O)NS(=O)(=O)OCC1OCC(CCCn2cc(CCc3ccccc3)nn2)C(O)C1O",
   "targets": [
    "UNP:Q5FAJ3"
   ]
  },
  {
   "line": 6729,
   "comp_id": "9SU",
   "ikey_connectivity": "VYNMMNYWFMDPRI",
   "smiles": "O=c1[nH]c(N2CCC3(CC2)CNc2cccc(Cl)c23)nc2c1CCCC2",
   "targets": [
    "UNP:Q9H2K2"
   ]
  },
  {
   "line": 16230,
   "comp_id": "IEH",
   "ikey_connectivity": "WCFFGYGVMUTILN",
   "smiles": "CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 16870,
   "comp_id": "JA7",
   "ikey_connectivity": "VMCJXXUCJJAXMA",
   "smiles": "O=C(O)CCCCOc1ccccc1C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(CC(=O)O)Cc1cccs1",
   "targets": [
    "UNP:O15294",
    "UNP:P51610"
   ]
  },
  {
   "line": 4652,
   "comp_id": "70R",
   "ikey_connectivity": "ZFBHXVOCZBPADE",
   "smiles": "Cc1c(-c2c(-c3ccc(F)o3)sc3ncnc(OC(Cc4ccccc4OCc4ccnn4CC(F)(F)F)C(=O)O)c23)ccc(OCCN2CCN(C)CC2)c1Cl",
   "targets": [
    "UNP:P0AEY0",
    "UNP:Q07820"
   ]
  },
  {
   "line": 24753,
   "comp_id": "VCB",
   "ikey_connectivity": "JJNHPDOJBUAQDZ",
   "smiles": "O=C(NC(C(=O)O)c1ccccc1)c1cccc2c1-c1ccccc1C2=O",
   "targets": [
    "UNP:Q9Z2X8"
   ]
  },
  {
   "line": 756,
   "comp_id": "19H",
   "ikey_connectivity": "MCMWRWKXPXXZAS",
   "smiles": "Cc1cc(OCCCc2c(C(=O)O)[nH]c3cc(Cl)ccc23)cc(C)c1Cl",
   "targets": [
    "UNP:P0AEX9",
    "UNP:Q07820"
   ]
  },
  {
   "line": 16169,
   "comp_id": "IAH",
   "ikey_connectivity": "GLNYCQCUCACIJN",
   "smiles": "CC1C=CC2CCCCC2C1C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O",
   "targets": [
    "UNP:A0AA82WP03"
   ]
  },
  {
   "line": 12038,
   "comp_id": "BZY",
   "ikey_connectivity": "GVEMEQSTGJKMAX",
   "smiles": "CC(NC(=O)C(N)CCc1ccc(O)cc1)C(=O)NCc1ccc(C(=N)N)cc1",
   "targets": [
    "UNP:P00760"
   ]
  },
  {
   "line": 8202,
   "comp_id": "A1BUH",
   "ikey_connectivity": "VJYLZSYPPRLAQO",
   "smiles": "Cc1cc(N)nc2cc(-c3ccc(CCN)cc3O)c(F)cc12",
   "targets": [
    "UNP:P29474",
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 27389,
   "comp_id": "Z75",
   "ikey_connectivity": "ZHZSBUKNHGZRTJ",
   "smiles": "CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2CN(Cc3ccccc3)CCN2)c1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 4831,
   "comp_id": "79E",
   "ikey_connectivity": "DYUJUGYKDAQNDY",
   "smiles": "CC(C)CC(NC(=O)C(CC(C)C)NP(=O)(O)CNC(=O)OCc1ccccc1)C(N)=O",
   "targets": [
    "UNP:P00800"
   ]
  },
  {
   "line": 2466,
   "comp_id": "3WG",
   "ikey_connectivity": "OCHOKXCPKDPNQU",
   "smiles": "ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)C(Cl)C3C1(Cl)C2(Cl)Cl",
   "targets": [
    "UNP:O75469"
   ]
  },
  {
   "line": 5362,
   "comp_id": "7XR",
   "ikey_connectivity": "QPOURHROVVCOHC",
   "smiles": "CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccccc5)n(C5CCCC5)c4n3)cc2)CC1",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 10357,
   "comp_id": "A1JIW",
   "ikey_connectivity": "IZMODIXZHBQMGN",
   "smiles": "Cc1cccnc1C(SC1OC(CO)C(O)C(n2cc(-c3cc(F)c(F)c(F)c3)nn2)C1O)C1(O)CCC(F)(F)CC1",
   "targets": [
    "UNP:P17931"
   ]
  },
  {
   "line": 14893,
   "comp_id": "GAY",
   "ikey_connectivity": "KERKYEVISFXSSG",
   "smiles": "COc1ccn2c(C(C)=O)cc(C(=O)Nc3cccc(-c4cnn(C)c4)c3F)c2c1",
   "targets": [
    "UNP:Q92793"
   ]
  },
  {
   "line": 7758,
   "comp_id": "A1B7C",
   "ikey_connectivity": "FKEXGBHYRLJSIN",
   "smiles": "CC(C)(C)C(NC(=O)C(F)(F)F)C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3cc(Cl)ccc3s1)C2(C)C",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 27755,
   "comp_id": "ZXG",
   "ikey_connectivity": "ZFFYEAWOYUGBMP",
   "smiles": "CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(OS(=O)(=O)O)c(Br)c1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 18093,
   "comp_id": "KZB",
   "ikey_connectivity": "PDUIOILJOMOEIH",
   "smiles": "CC1CCC2(OC1)OC1C(O)C3C4CCC5CC(OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C",
   "targets": [
    "UNP:P04843",
    "UNP:P04844",
    "UNP:P0C6T2",
    "UNP:P33767",
    "UNP:P39007",
    "UNP:P39656",
    "UNP:P41543",
    "UNP:P46964",
    "UNP:P46977",
    "UNP:P48439",
    "UNP:P61165",
    "UNP:P61803",
    "UNP:Q02795",
    "UNP:Q14165",
    "UNP:Q8TCJ2",
    "UNP:Q92316",
    "UNP:Q99380",
    "UNP:Q9H0U3",
    "UNP:Q9NRP0"
   ]
  },
  {
   "line": 4096,
   "comp_id": "68D",
   "ikey_connectivity": "FLKHRDPJVSXBIP",
   "smiles": "Cc1c(C(=O)Nc2ccccc2CC(=O)O)sc2nc[nH]c(=O)c12",
   "targets": [
    "UNP:O15382"
   ]
  },
  {
   "line": 1854,
   "comp_id": "2XC",
   "ikey_connectivity": "DGYJHACBCFLLBR",
   "smiles": "O=C(C=CN1CCCC(c2ccccc2)C1)c1ccccc1O",
   "targets": [
    "UNP:Q86U86"
   ]
  },
  {
   "line": 18868,
   "comp_id": "M68",
   "ikey_connectivity": "LTZZOZXCYRCKFV",
   "smiles": "Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1",
   "targets": [
    "UNP:P29476"
   ]
  },
  {
   "line": 12059,
   "comp_id": "C10",
   "ikey_connectivity": "GLGQRQQFWLTGES",
   "smiles": "CCCCCCCCCCOCCOCCOCCOCCOCCOCCO",
   "targets": [
    "UNP:P60301"
   ]
  },
  {
   "line": 9991,
   "comp_id": "A1IRD",
   "ikey_connectivity": "RDQDRNZBJPMAKJ",
   "smiles": "O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccc(Cl)cc23)c(OCc2ncccn2)c1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 18583,
   "comp_id": "LP3",
   "ikey_connectivity": "IHNKQIMGVNPMTC",
   "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C",
   "targets": [
    "UNP:A0A8I5ZWI2",
    "UNP:B0K022",
    "UNP:D3ZIM6",
    "UNP:D4A133",
    "UNP:O54715",
    "UNP:P07825",
    "UNP:P17900",
    "UNP:P25286",
    "UNP:P50408",
    "UNP:P62815",
    "UNP:P63081",
    "UNP:Q5EB76",
    "UNP:Q5FVI6",
    "UNP:Q5M7T6",
    "UNP:Q5ZWW6",
    "UNP:Q6AXS4",
    "UNP:Q6P503",
    "UNP:Q6PCU2",
    "UNP:Q8R2H0",
    "UNP:Q8W453"
   ]
  },
  {
   "line": 15865,
   "comp_id": "HUM",
   "ikey_connectivity": "RPIBMYVEZQVKQW",
   "smiles": "CC(CCn1ccc(-c2ccc(OCc3ccccc3)cc2F)cc1=O)(C(=O)NO)S(C)(=O)=O",
   "targets": [
    "UNP:P47205"
   ]
  },
  {
   "line": 18396,
   "comp_id": "LF5",
   "ikey_connectivity": "RFZOPKHHJPMIJW",
   "smiles": "CC(C)Oc1ccc(Cl)c2cc(C(=N)N)sc12",
   "targets": [
    "UNP:P03372",
    "UNP:P04637",
    "UNP:P31947"
   ]
  },
  {
   "line": 625,
   "comp_id": "12D",
   "ikey_connectivity": "WYOHYTDXVJMKHS",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C2OC3(OC21)C([N+](=O)[O-])=CC([N+](=O)[O-])=CC3[N+](=O)[O-]",
   "targets": [
    "UNP:P08716"
   ]
  },
  {
   "line": 27519,
   "comp_id": "ZJ9",
   "ikey_connectivity": "IXWUILRSNIQHDM",
   "smiles": "CN(C)C(=O)c1ccc(-c2cc(C(=O)NC3CCc4ccccc43)no2)cc1O",
   "targets": [
    "UNP:P42568"
   ]
  },
  {
   "line": 16777,
   "comp_id": "J5C",
   "ikey_connectivity": "WYWIFABBXFUGLM",
   "smiles": "Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1",
   "targets": [
    "UNP:D9IEF7",
    "UNP:P08913",
    "UNP:P09471",
    "UNP:P35348",
    "UNP:P59768",
    "UNP:P62873"
   ]
  },
  {
   "line": 14820,
   "comp_id": "G7Q",
   "ikey_connectivity": "XAAULFWATXYIOV",
   "smiles": "CC(=O)c1csc(NC(=O)C2CNCCN2CCC2CCC(F)(F)CC2)n1",
   "targets": [
    "UNP:Q6PL18"
   ]
  },
  {
   "line": 7078,
   "comp_id": "A1A8O",
   "ikey_connectivity": "XHMSDQXEIBTTBE",
   "smiles": "NC(C(=O)N1CCCC1)C1CCN(c2nccc3c(-c4ncc(Cl)cc4Cl)cccc23)CC1",
   "targets": [
    "UNP:Q9Y2J8"
   ]
  },
  {
   "line": 2903,
   "comp_id": "4K6",
   "ikey_connectivity": "QNOXZLGNUKPKFJ",
   "smiles": "Cc1cc2nc(CCNC(=O)c3ccc(-n4cnnc4)cc3)[nH]c2cc1C",
   "targets": [
    "UNP:P00740"
   ]
  },
  {
   "line": 270,
   "comp_id": "0IP",
   "ikey_connectivity": "BSUMMOUMVQVPGZ",
   "smiles": "C=C1CC2(O)C3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)C2(C)C2C(=O)OC(C)C(=O)C12C",
   "targets": [
    "UNP:A0A6J4CX17"
   ]
  },
  {
   "line": 4888,
   "comp_id": "7C8",
   "ikey_connectivity": "MXFWEMTZODLDTJ",
   "smiles": "CC(CCCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 19560,
   "comp_id": "ND9",
   "ikey_connectivity": "KYZPVSMGBRSVOQ",
   "smiles": "NC1CCC(Oc2ccccc2)(C(=O)N2CCC(CNC(=O)CCl)CC2)CC1",
   "targets": [
    "UNP:P03372",
    "UNP:P31947"
   ]
  },
  {
   "line": 7011,
   "comp_id": "A1A51",
   "ikey_connectivity": "SAGNBFFNMIQFHV",
   "smiles": "CCOC(=O)c1nn(C)c(Cc2ccc(C(F)(F)F)nc2)c1C",
   "targets": [
    "UNP:Q08210"
   ]
  },
  {
   "line": 26493,
   "comp_id": "XXU",
   "ikey_connectivity": "BBPZNXFFBLQKEF",
   "smiles": "CC(=O)N1CCN(c2ccc3nc(C)n(CC(=O)NCc4ccc(Cl)c(Cl)c4)c(=O)c3c2)CC1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 4155,
   "comp_id": "6B8",
   "ikey_connectivity": "ASUOZXIKIDLJND",
   "smiles": "CSC1C(C(=O)O)=NC(C(C=O)C(C)O)C1C",
   "targets": [
    "UNP:I6Y9J2"
   ]
  },
  {
   "line": 14211,
   "comp_id": "FCC",
   "ikey_connectivity": "YEJCDKJIEMIWRQ",
   "smiles": "O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1",
   "targets": [
    "UNP:P0DP25",
    "UNP:P42212",
    "UNP:P56696"
   ]
  },
  {
   "line": 7607,
   "comp_id": "A1B1N",
   "ikey_connectivity": "IOCUHOZGYZOKAP",
   "smiles": "COc1ncccc1NC(=O)N1CCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 19310,
   "comp_id": "MZE",
   "ikey_connectivity": "JFMRSUSVFPNDAU",
   "smiles": "CC(C)(C)NC(=O)NC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3cccc(C(=N)N)c3)c2)CC1",
   "targets": [
    "UNP:P00760"
   ]
  },
  {
   "line": 21162,
   "comp_id": "PVP",
   "ikey_connectivity": "NLGYGVCRRXIJRR",
   "smiles": "Cc1nc(-c2ccccn2)nc(N2CCN(CCO)CC2)c1Cl",
   "targets": [
    "UNP:P53582"
   ]
  },
  {
   "line": 7786,
   "comp_id": "A1B8O",
   "ikey_connectivity": "HNZZZCIGBNYXEQ",
   "smiles": "CNC(=O)C(Nc1ccc2c(c1)C(=O)OC2)c1cc(Cl)cc2[nH]ncc12",
   "targets": [
    "UNP:Q32ZE1"
   ]
  },
  {
   "line": 3835,
   "comp_id": "5VZ",
   "ikey_connectivity": "OKUXIUAKYDKHDY",
   "smiles": "Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 23302,
   "comp_id": "T1X",
   "ikey_connectivity": "UCQMGGDLMJSQEJ",
   "smiles": "COc1ccc(F)c2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3=O)C(O)c3nc4c(F)cccc4s3)cc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 18669,
   "comp_id": "LTV",
   "ikey_connectivity": "XHUXLZVWHLYNKB",
   "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC",
   "targets": [
    "UNP:O59952"
   ]
  },
  {
   "line": 15126,
   "comp_id": "GNB",
   "ikey_connectivity": "QYFGPQQSJQOGEO",
   "smiles": "NC(CCC(=O)NC(CSC(O)OCc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)O)C(=O)O",
   "targets": [
    "UNP:Q04760"
   ]
  },
  {
   "line": 19326,
   "comp_id": "N06",
   "ikey_connectivity": "PUKLCDKNRBGLKK",
   "smiles": "CN(C)c1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1",
   "targets": [
    "UNP:Q9H999"
   ]
  },
  {
   "line": 25874,
   "comp_id": "X2O",
   "ikey_connectivity": "AEXWHNCQYTYTMP",
   "smiles": "CCC(C)C(SCC(N)C(=O)O)(c1ccccc1)c1ccccc1",
   "targets": [
    "UNP:P52732"
   ]
  },
  {
   "line": 23480,
   "comp_id": "TC0",
   "ikey_connectivity": "GRGYFHNWICGOLR",
   "smiles": "Oc1ccc(-c2ccc(-c3cc(Nc4ccc(CNC5CC5)cc4)n[nH]3)cc2)c(O)c1",
   "targets": [
    "UNP:Q92772"
   ]
  },
  {
   "line": 13196,
   "comp_id": "DW8",
   "ikey_connectivity": "QCXIKJJTWQFXSS",
   "smiles": "CCCNC(=O)CCOCCOCCOCCNC(=O)c1cccc(NC(=O)COc2ccccc2P(=O)(O)O)c1",
   "targets": [
    "UNP:P63104"
   ]
  },
  {
   "line": 414,
   "comp_id": "0QS",
   "ikey_connectivity": "RRJUDVVMLCYZDV",
   "smiles": "CC(C)(C)S(=O)(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NCCN1CCOCC1",
   "targets": [
    "UNP:P11838"
   ]
  },
  {
   "line": 26246,
   "comp_id": "XLL",
   "ikey_connectivity": "IGVXALUESOTNEK",
   "smiles": "CC(C)(C)c1cc(Cl)c(C#N)cc1OCc1n[nH]c2ncccc12",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 8916,
   "comp_id": "A1DFI",
   "ikey_connectivity": "HFZZJWSATOFNRA",
   "smiles": "CCc1c(-c2cccc(CNC(=O)Nc3cccc(OC)c3)c2)nn2c(=O)cc(-c3cccc(C(=O)O)c3)[nH]c12",
   "targets": [
    "UNP:P30043"
   ]
  },
  {
   "line": 8447,
   "comp_id": "A1CDG",
   "ikey_connectivity": "AQSBRKNNVBSMKG",
   "smiles": "O=C(NNS(=O)(=O)c1sccc1F)c1cc(F)cc(-c2ccccn2)c1",
   "targets": [
    "UNP:Q9H7Z6"
   ]
  },
  {
   "line": 2930,
   "comp_id": "4LP",
   "ikey_connectivity": "GKNWEXDLAOKVLQ",
   "smiles": "COc1cn(-c2ccc3c(c2F)C(C)(C)C(=O)N3CC2CC2)nc(-c2ccnn2-c2ccccc2)c1=O",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 15742,
   "comp_id": "HLB",
   "ikey_connectivity": "QVZIJCUKVKFUJR",
   "smiles": "CN1C(=CC=CC=CC2=[N+](CCCCC(=O)NCCCCCCCCNC3CC(O)C(O)C(O)C3O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21",
   "targets": [
    "UNP:Q5BAS1"
   ]
  },
  {
   "line": 6663,
   "comp_id": "9PM",
   "ikey_connectivity": "KZMLSFIKJMMRRD",
   "smiles": "N#Cc1ccc(CCNCc2ccc3ccc(N)nc3c2)cc1Cl",
   "targets": [
    "UNP:P29473",
    "UNP:P29476"
   ]
  },
  {
   "line": 27108,
   "comp_id": "YNK",
   "ikey_connectivity": "JDJOUBVVSQDIRC",
   "smiles": "CC1(C)CCC(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)(C)=O)c(C#N)ccc34)n2)CN1",
   "targets": [
    "UNP:P20248",
    "UNP:P24941",
    "UNP:P50613",
    "UNP:P51946",
    "UNP:P51948"
   ]
  },
  {
   "line": 3199,
   "comp_id": "512",
   "ikey_connectivity": "VDPVVSMGWNMCBP",
   "smiles": "O=C(O)COc1c(Br)csc1C(=O)O",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 18606,
   "comp_id": "LQF",
   "ikey_connectivity": "QBTUKQKTXYTWPD",
   "smiles": "N#Cc1c2c(c3nncn3c1NCc1ccco1)CN(Cc1ccccc1)CC2",
   "targets": [
    "UNP:O75530",
    "UNP:Q15910"
   ]
  },
  {
   "line": 4002,
   "comp_id": "63Z",
   "ikey_connectivity": "MTSIIXPDVHCKBB",
   "smiles": "OCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1",
   "targets": [
    "UNP:Q6P988"
   ]
  },
  {
   "line": 12641,
   "comp_id": "CZM",
   "ikey_connectivity": "DNVUYVBRNCWGAK",
   "smiles": "Cc1cccc(C=Nc2ccccc2N=Cc2cccc(C)c2O)c1O",
   "targets": [
    "UNP:P02185"
   ]
  },
  {
   "line": 10811,
   "comp_id": "A1LXR",
   "ikey_connectivity": "ZWAUSWHRQBSECP",
   "smiles": "CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCC",
   "targets": [
    "UNP:P25090",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096",
    "UNP:Q9NS75"
   ]
  },
  {
   "line": 1747,
   "comp_id": "2RW",
   "ikey_connectivity": "ZJGNPGFGXQKXSY",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OCCC2O)C(O)C1O",
   "targets": [
    "UNP:P06746"
   ]
  },
  {
   "line": 8981,
   "comp_id": "A1E6C",
   "ikey_connectivity": "GDXBRVCQGGKXJY",
   "smiles": "N=C(N)NC(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1",
   "targets": [
    "UNP:P19634"
   ]
  },
  {
   "line": 457,
   "comp_id": "0T1",
   "ikey_connectivity": "JJSFSVFKDOGQNC",
   "smiles": "CCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O",
   "targets": [
    "UNP:B3EY95"
   ]
  },
  {
   "line": 10288,
   "comp_id": "A1JG6",
   "ikey_connectivity": "QCTFOWZTGJXRPX",
   "smiles": "C#CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C1CCCN1C(=O)CF",
   "targets": [
    "UNP:O43683"
   ]
  },
  {
   "line": 15984,
   "comp_id": "I0A",
   "ikey_connectivity": "KBYYUDNRZUURRS",
   "smiles": "CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 7040,
   "comp_id": "A1A6X",
   "ikey_connectivity": "KCPPNACDFMGYSX",
   "smiles": "OCC1CC2(CN1c1ncnc3[nH]ccc13)OCCO2",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 2519,
   "comp_id": "3YS",
   "ikey_connectivity": "NIDRNVHMMDAAIK",
   "smiles": "NC1=NC2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COCC2CS1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 11066,
   "comp_id": "ACJ",
   "ikey_connectivity": "NUFNQYOELLVIPL",
   "smiles": "O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]",
   "targets": [
    "UNP:P50336"
   ]
  },
  {
   "line": 16154,
   "comp_id": "I9P",
   "ikey_connectivity": "BYYDVPCOJAQWPZ",
   "smiles": "Nc1nc2nc(C(=O)NC(Cc3ccc(O)cc3)C(=O)O)cnc2c(=O)[nH]1",
   "targets": [
    "UNP:P02879"
   ]
  },
  {
   "line": 8867,
   "comp_id": "A1D95",
   "ikey_connectivity": "JUMXBRHFDXULAH",
   "smiles": "Cc1nn(C)c(C)c1-c1cc(OCC2COC2)cc(-c2ccnc3nc[nH]c23)c1F",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 5835,
   "comp_id": "8LA",
   "ikey_connectivity": "DGCHEIBDGDMRPM",
   "smiles": "C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(OC3OC(CO)C(O)C3O)c2)c1",
   "targets": [
    "UNP:A0A127ELD1",
    "UNP:A0A6L8P2U9"
   ]
  },
  {
   "line": 5075,
   "comp_id": "7KG",
   "ikey_connectivity": "MJHOMTRKVMKCNE",
   "smiles": "Cn1cc(-c2nc(NC3CCCCC3N)c(F)c3c2C(=O)NC3)cn1",
   "targets": [
    "UNP:P43405"
   ]
  },
  {
   "line": 18541,
   "comp_id": "LMI",
   "ikey_connectivity": "XZBWQLIYDNHHJF",
   "smiles": "CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(C(=O)NO)cc1",
   "targets": [
    "UNP:A0A2S4W2W0"
   ]
  },
  {
   "line": 15273,
   "comp_id": "GVT",
   "ikey_connectivity": "MEPDRUVBZDYVEU",
   "smiles": "CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO",
   "targets": [
    "UNP:Q8NRS3"
   ]
  },
  {
   "line": 7249,
   "comp_id": "A1AHG",
   "ikey_connectivity": "QXYINOHLUDLCKU",
   "smiles": "Cc1ccc2nc(-c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)ccc5c4O)cc3)sc2c1",
   "targets": [
    "UNP:P10636"
   ]
  },
  {
   "line": 3603,
   "comp_id": "5K0",
   "ikey_connectivity": "CETUWWHQYHVEMZ",
   "smiles": "CC1CCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)CC1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 2244,
   "comp_id": "3JP",
   "ikey_connectivity": "SOAFFLJOXUCIRE",
   "smiles": "CCC1CN(CCOc2ccc(OC)c(OC)c2)C(=O)C2CCCC1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1",
   "targets": [
    "UNP:Q13451"
   ]
  },
  {
   "line": 15434,
   "comp_id": "H4Y",
   "ikey_connectivity": "GLHCKAVYQJNFHF",
   "smiles": "COc1ccc(-c2ccccc2N2CCCC2=O)cc1",
   "targets": [
    "UNP:P0C024"
   ]
  },
  {
   "line": 3906,
   "comp_id": "5Z7",
   "ikey_connectivity": "LMYRFZVTGXUSKU",
   "smiles": "O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Br)c(Cl)c2)CC1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 5200,
   "comp_id": "7Q0",
   "ikey_connectivity": "XFOBJVGGSATXHM",
   "smiles": "Nc1cc2c3c(cccc3c1NC(=O)c1ccc(F)cc1)CC2",
   "targets": [
    "UNP:O43526",
    "UNP:P0DP23"
   ]
  },
  {
   "line": 5953,
   "comp_id": "8R4",
   "ikey_connectivity": "GZZXEPJJXLJJEJ",
   "smiles": "O=C(O)c1ccc(-c2coc3ncc(-c4ccccc4)cc23)cc1C1CCCC1",
   "targets": [
    "UNP:Q96RR4"
   ]
  },
  {
   "line": 25875,
   "comp_id": "X2R",
   "ikey_connectivity": "SLYPAEUXHCDCFQ",
   "smiles": "CC(C)C(NC(=O)C(CS)NC(=O)CCCC(N)C(=O)O)S(=O)(=O)O",
   "targets": [
    "UNP:P05326"
   ]
  },
  {
   "line": 22808,
   "comp_id": "S7I",
   "ikey_connectivity": "BSMYIEBMKAPIJY",
   "smiles": "N=C(N)c1cc(-c2cccc(NC(=O)C3(Oc4ccc(Cl)cc4)CCCC3)c2)cs1",
   "targets": [
    "UNP:P03372",
    "UNP:P31947"
   ]
  },
  {
   "line": 25436,
   "comp_id": "WFC",
   "ikey_connectivity": "QOXMGHPENGRQFZ",
   "smiles": "O=C(O)C1CC2ON=C(c3ccc(Cl)cc3)C2C1",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 1272,
   "comp_id": "20M",
   "ikey_connectivity": "BCPZRYGPLBZKEZ",
   "smiles": "O=S1(=O)NC(NCc2ccc(S(=O)(=O)N3CCC(N4CCCC4)CC3)cc2)=Nc2ccncc21",
   "targets": [
    "UNP:P43490"
   ]
  },
  {
   "line": 22126,
   "comp_id": "R7K",
   "ikey_connectivity": "YJOIFBSYIJCYQU",
   "smiles": "O=C(NCc1ccc(F)cc1F)c1c(O)c2c(CO)ccnc2n(O)c1=O",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 17881,
   "comp_id": "KOT",
   "ikey_connectivity": "SLCZDPXCZLKLKY",
   "smiles": "OCC1OC(n2cc(-c3ccccc3)nn2)C(O)C(O)C1O",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 6200,
   "comp_id": "93H",
   "ikey_connectivity": "YUWZXUMQIZRXEN",
   "smiles": "COc1ccc(CCNCCc2ccc(O)c(O)c2)cc1",
   "targets": [
    "UNP:Q67A25"
   ]
  },
  {
   "line": 17859,
   "comp_id": "KN4",
   "ikey_connectivity": "DWIFPRVVASXUJK",
   "smiles": "Cc1cc(N)nc(CCc2cc(CCC3CCCN3C)cc(F)c2F)c1",
   "targets": [
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 20158,
   "comp_id": "OAJ",
   "ikey_connectivity": "AJUGJYIFDAVOIF",
   "smiles": "Cc1cc(Oc2ccc(CC(=O)N3CCOCC3C(=O)O)cc2)ccc1C#N",
   "targets": [
    "UNP:P0AEG4"
   ]
  },
  {
   "line": 25892,
   "comp_id": "X3I",
   "ikey_connectivity": "JOTTVZAFRMDQGM",
   "smiles": "C#CCOC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCC(=O)CF)CCC32)C1",
   "targets": [
    "UNP:A0A805Z5R7"
   ]
  },
  {
   "line": 25491,
   "comp_id": "WI2",
   "ikey_connectivity": "DXJSLXVHZRWEMR",
   "smiles": "COc1cccc(-c2cnc(N)c(N3CCC(C(=O)O)CC3)n2)c1",
   "targets": [
    "UNP:P51955"
   ]
  },
  {
   "line": 23880,
   "comp_id": "U1L",
   "ikey_connectivity": "ISWZNEONBBEJIZ",
   "smiles": "C=CCNC(=O)c1nc(NC(C)C(=O)NO)c2ccccc2n1",
   "targets": [
    "UNP:Q6PJP8"
   ]
  },
  {
   "line": 15145,
   "comp_id": "GO9",
   "ikey_connectivity": "CLVWRDZKTFFQRY",
   "smiles": "OCCOCCOCC(CO)(COCCO)COCCO",
   "targets": [
    "UNP:Q8TDY2",
    "UNP:Q9ULG6"
   ]
  },
  {
   "line": 17802,
   "comp_id": "KKL",
   "ikey_connectivity": "FIEDYLNUYGEAJG",
   "smiles": "C#Cc1ccc(-c2nnc(NC(=O)c3ccc(N)cc3)o2)cc1",
   "targets": [
    "UNP:P02358",
    "UNP:P02359",
    "UNP:P02413",
    "UNP:P0A7K6",
    "UNP:P0A7L3",
    "UNP:P0A7L8",
    "UNP:P0A7M2",
    "UNP:P0A7M6",
    "UNP:P0A7M9",
    "UNP:P0A7N4",
    "UNP:P0A7N9",
    "UNP:P0A7P5",
    "UNP:P0A7Q1",
    "UNP:P0A7Q6",
    "UNP:P0A7R1",
    "UNP:P0A7R5",
    "UNP:P0A7R9",
    "UNP:P0A7S3",
    "UNP:P0A7S9",
    "UNP:P0A7T3",
    "UNP:P0A7T7",
    "UNP:P0A7U3",
    "UNP:P0A7U7",
    "UNP:P0A7V0",
    "UNP:P0A7V3",
    "UNP:P0A7V8",
    "UNP:P0A7W1",
    "UNP:P0A7W7",
    "UNP:P0A7X3",
    "UNP:P0AA10",
    "UNP:P0ADY3",
    "UNP:P0ADY7",
    "UNP:P0ADZ0",
    "UNP:P0ADZ4",
    "UNP:P0AG44",
    "UNP:P0AG48",
    "UNP:P0AG51",
    "UNP:P0AG55",
    "UNP:P0AG59",
    "UNP:P0AG63",
    "UNP:P0C018",
    "UNP:P60422",
    "UNP:P60438",
    "UNP:P60624",
    "UNP:P60723",
    "UNP:P61175",
    "UNP:P62399",
    "UNP:P68679",
    "UNP:P68919"
   ]
  },
  {
   "line": 20284,
   "comp_id": "OI4",
   "ikey_connectivity": "KJMNRTLNVIILOB",
   "smiles": "Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 15209,
   "comp_id": "GS3",
   "ikey_connectivity": "HXZDICYKFAOZLE",
   "smiles": "COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1",
   "targets": [
    "UNP:P06213"
   ]
  },
  {
   "line": 19606,
   "comp_id": "NFL",
   "ikey_connectivity": "JZFPYUNJRRFVQU",
   "smiles": "O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1",
   "targets": [
    "UNP:I3L8V6",
    "UNP:P02730",
    "UNP:P60045",
    "UNP:Q9HBL8"
   ]
  },
  {
   "line": 25313,
   "comp_id": "W99",
   "ikey_connectivity": "UBMOUBBRNPNZPM",
   "smiles": "CC1CC(C)CN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)C1",
   "targets": [
    "UNP:Q9Y210"
   ]
  },
  {
   "line": 23259,
   "comp_id": "SYW",
   "ikey_connectivity": "RNXDBFXSUVUJIV",
   "smiles": "CC1CN(C(=O)c2ccc3c(ccn3C)c2)CCN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1",
   "targets": [
    "UNP:Q9NV35"
   ]
  },
  {
   "line": 3216,
   "comp_id": "523",
   "ikey_connectivity": "VSWHQKSDLZFLRY",
   "smiles": "Cc1c[n+](C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1N",
   "targets": [
    "UNP:A0R2K6"
   ]
  },
  {
   "line": 19395,
   "comp_id": "N3P",
   "ikey_connectivity": "RQAQWBFHPMSXKR",
   "smiles": "O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2cc1OP(=O)(O)O",
   "targets": [
    "UNP:P00883"
   ]
  },
  {
   "line": 18169,
   "comp_id": "L36",
   "ikey_connectivity": "KHLQRJYGXHCNMH",
   "smiles": "CCCN(Cc1ccc(N)cc1)C(=O)NCC(=O)OCC",
   "targets": [
    "UNP:P62937"
   ]
  },
  {
   "line": 7219,
   "comp_id": "A1AG8",
   "ikey_connectivity": "GVKXFVCXBFGBCD",
   "smiles": "COC(=O)C1C(O)C2(O)c3c(OC)cc(OC4OC(C(O)CO)COC4OC)cc3OC2(c2ccc(OC)cc2)C1c1ccccc1",
   "targets": [
    "UNP:P60842"
   ]
  },
  {
   "line": 20495,
   "comp_id": "OT5",
   "ikey_connectivity": "DKZYXHCYPUVGAF",
   "smiles": "CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1NC1CCC(CN(C)C)CC1",
   "targets": [
    "UNP:Q9SCZ4"
   ]
  },
  {
   "line": 23127,
   "comp_id": "SQB",
   "ikey_connectivity": "SPYPSRDGJWPJCB",
   "smiles": "CNc1ncc2cc(-c3ccc(-c4nc(C)ccc4OC)cc3Cl)c(=O)n(CC3OCC(N)CO3)c2n1",
   "targets": [
    "UNP:Q9Y6E0"
   ]
  },
  {
   "line": 2736,
   "comp_id": "4A8",
   "ikey_connectivity": "CXVPOMVKVCGHLI",
   "smiles": "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1",
   "targets": [
    "UNP:O15164"
   ]
  },
  {
   "line": 4312,
   "comp_id": "6JE",
   "ikey_connectivity": "GNMUEVRJHCWKTO",
   "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 5645,
   "comp_id": "8C6",
   "ikey_connectivity": "OGUHYAYICMXXAF",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)C(Cl)P(=O)(O)O)C(O)C1O",
   "targets": [
    "UNP:P00523"
   ]
  },
  {
   "line": 21258,
   "comp_id": "Q1I",
   "ikey_connectivity": "MCQOBJKNIOQORB",
   "smiles": "Cc1c(C2CCCC2)nc(N(C)C(C)C)c(-c2nnn[nH]2)c1-c1ccccc1",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 10595,
   "comp_id": "A1L1E",
   "ikey_connectivity": "HXPQWNPLNIEJOW",
   "smiles": "CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1",
   "targets": [
    "UNP:P46093"
   ]
  },
  {
   "line": 25467,
   "comp_id": "WGT",
   "ikey_connectivity": "AKFDBWIUWIWHRK",
   "smiles": "CCOC(=O)c1c(-c2cccs2)csc1N",
   "targets": [
    "UNP:Q9UGL1"
   ]
  },
  {
   "line": 10549,
   "comp_id": "A1JZX",
   "ikey_connectivity": "JVLHZSGKHMPWSQ",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC([n+]3ccc(Cc4ccc(NC(=O)Nc5ccccn5)cc4)cc3)C(O)C2O)C(O)C1O",
   "targets": [
    "UNP:Q6SZW1"
   ]
  },
  {
   "line": 4416,
   "comp_id": "6P2",
   "ikey_connectivity": "ONGUVGXZNLWDHM",
   "smiles": "COc1ccc(C2(c3cc(-c4sc(C)nc4C)[nH]n3)CC2)cc1",
   "targets": [
    "UNP:P22734"
   ]
  },
  {
   "line": 21446,
   "comp_id": "QB9",
   "ikey_connectivity": "IMYCWWNWNOANBE",
   "smiles": "Nc1nc(=O)[nH]cc1C#CCNS(=O)(=O)C1CC1",
   "targets": [
    "UNP:P62615"
   ]
  },
  {
   "line": 15142,
   "comp_id": "GO4",
   "ikey_connectivity": "MMHXIUIFLQILFX",
   "smiles": "CC(NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)cc12)c1cccc(F)c1",
   "targets": [
    "UNP:Q13546"
   ]
  },
  {
   "line": 22018,
   "comp_id": "R2X",
   "ikey_connectivity": "RZBYEPRBZPLACH",
   "smiles": "O=C(NC(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1)C1CCC(C(=O)N2CCCC2)O1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 15153,
   "comp_id": "GON",
   "ikey_connectivity": "PYIQTHALSLWYHD",
   "smiles": "NC(=O)C1CCN(CCOc2ccc(-c3[nH]ncc3-c3ccccc3)c(O)c2)CC1",
   "targets": [
    "UNP:Q05320"
   ]
  },
  {
   "line": 1153,
   "comp_id": "1U2",
   "ikey_connectivity": "JSKAQIFORULOPI",
   "smiles": "N=C(N)c1ccc2cc(NC(=O)Nc3ccccc3)ccc2c1",
   "targets": [
    "UNP:P00749"
   ]
  },
  {
   "line": 21187,
   "comp_id": "PX8",
   "ikey_connectivity": "YFWHNAWEOZTIPI",
   "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])O)OC(=O)CCCCCCCCCCCCCCCCC",
   "targets": [
    "UNP:O35298",
    "UNP:P08195",
    "UNP:Q69ZE8",
    "UNP:Q9UPY5"
   ]
  },
  {
   "line": 4324,
   "comp_id": "6JX",
   "ikey_connectivity": "SKMZNGUSNLOOPQ",
   "smiles": "C=CCOC(=O)Nc1nc2cc3[nH]c(NC)nc3cc2c(=O)[nH]1",
   "targets": [
    "UNP:P28720"
   ]
  },
  {
   "line": 9555,
   "comp_id": "A1I31",
   "ikey_connectivity": "QYBGYGPJRPVKOX",
   "smiles": "CCC(O)CCC(=O)C1=C(O)C(CC(=O)O)OC1=O",
   "targets": [
    "UNP:A0A481WQ18"
   ]
  },
  {
   "line": 24933,
   "comp_id": "VKK",
   "ikey_connectivity": "DSNCQKUYZOSARM",
   "smiles": "O=C(C=Cc1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 2979,
   "comp_id": "4PR",
   "ikey_connectivity": "VVZICJQTDYOKIN",
   "smiles": "CCCCC(NC(=O)OC1CN(C(=O)Nc2c(C)noc2C)CC1(C)C)C(O)C(=O)NC(C)c1ccccc1",
   "targets": [
    "UNP:P43235"
   ]
  },
  {
   "line": 1345,
   "comp_id": "240",
   "ikey_connectivity": "BWTOBMCYVACNJZ",
   "smiles": "COc1ccc(C(=O)n2c(C)c(Cc3ccccc3OC(C)C(=O)O)c3cc(OC(F)(F)F)ccc32)cc1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 27512,
   "comp_id": "ZIT",
   "ikey_connectivity": "MQTOSJVFKKJCRP",
   "smiles": "CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O",
   "targets": [
    "UNP:A0A0H3EUF3",
    "UNP:C7MEP1",
    "UNP:O43193",
    "UNP:P02413",
    "UNP:P0A7N4",
    "UNP:P0A7P5",
    "UNP:P0AA10",
    "UNP:P0AD49",
    "UNP:P0DOY6",
    "UNP:P0DOY7",
    "UNP:P0DOY8",
    "UNP:P0DOY9",
    "UNP:P10970",
    "UNP:P10971",
    "UNP:P10972",
    "UNP:P12732",
    "UNP:P12733",
    "UNP:P12734",
    "UNP:P12735",
    "UNP:P12736",
    "UNP:P12737",
    "UNP:P12743",
    "UNP:P14116",
    "UNP:P14119",
    "UNP:P14121",
    "UNP:P14122",
    "UNP:P14123",
    "UNP:P14124",
    "UNP:P14135",
    "UNP:P15825",
    "UNP:P17291",
    "UNP:P18138",
    "UNP:P20276",
    "UNP:P20279",
    "UNP:P22450",
    "UNP:P22452",
    "UNP:P29198",
    "UNP:P32410",
    "UNP:P32411",
    "UNP:P35871",
    "UNP:P59768",
    "UNP:P60405",
    "UNP:P60422",
    "UNP:P60438",
    "UNP:P60488",
    "UNP:P60489",
    "UNP:P60490",
    "UNP:P60491",
    "UNP:P60492",
    "UNP:P60493",
    "UNP:P60494",
    "UNP:P60617",
    "UNP:P60618",
    "UNP:P60619",
    "UNP:P60723",
    "UNP:P61175",
    "UNP:P62873",
    "UNP:P80339",
    "UNP:P80340",
    "UNP:P80371",
    "UNP:P80372",
    "UNP:P80373",
    "UNP:P80374",
    "UNP:P80376",
    "UNP:P80377",
    "UNP:P80380",
    "UNP:Q47396",
    "UNP:Q5SHN3",
    "UNP:Q5SHN7",
    "UNP:Q5SHN8",
    "UNP:Q5SHN9",
    "UNP:Q5SHP0",
    "UNP:Q5SHP2",
    "UNP:Q5SHP3",
    "UNP:Q5SHP6",
    "UNP:Q5SHP8",
    "UNP:Q5SHP9",
    "UNP:Q5SHQ0",
    "UNP:Q5SHQ4",
    "UNP:Q5SHQ5",
    "UNP:Q5SHQ6",
    "UNP:Q5SHQ7",
    "UNP:Q5SHR2",
    "UNP:Q5SHZ1",
    "UNP:Q5SIH3",
    "UNP:Q5SJ76",
    "UNP:Q5SJE1",
    "UNP:Q5SJH3",
    "UNP:Q5SKU1",
    "UNP:Q5SLP8",
    "UNP:Q5SLQ0",
    "UNP:Q5SLQ1",
    "UNP:Q9Z9H5"
   ]
  },
  {
   "line": 15271,
   "comp_id": "GVR",
   "ikey_connectivity": "MMOUXLMPQFMDRD",
   "smiles": "O=C(NO)C(Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1",
   "targets": [
    "UNP:P0A725",
    "UNP:P47205"
   ]
  },
  {
   "line": 5144,
   "comp_id": "7NL",
   "ikey_connectivity": "LRWPFUDCDOHRDC",
   "smiles": "Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OCC45CCCN4CC(F)C5)nc3c2F)c2ccccc2c1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 7805,
   "comp_id": "A1BA5",
   "ikey_connectivity": "NIDXNUVBYCLADQ",
   "smiles": "CC(C)(O)C1C2CCC2CN1c1ncnc2[nH]ccc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 11835,
   "comp_id": "BN4",
   "ikey_connectivity": "FCEMCUPAYRPTLS",
   "smiles": "Cc1c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)ccc(OCCCC(=O)O)c1C",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 185,
   "comp_id": "0C8",
   "ikey_connectivity": "VKIURNGMKFWIQX",
   "smiles": "O=C(O)c1ccc(Nc2nccc(Nc3ccccc3OC(F)(F)F)n2)cc1",
   "targets": [
    "UNP:O14965"
   ]
  },
  {
   "line": 25723,
   "comp_id": "WUL",
   "ikey_connectivity": "FRRLLRQAGKSVMU",
   "smiles": "O=c1[nH]c(CN2CCC(O)C2)nc2c1oc1ccc(Br)cc12",
   "targets": [
    "UNP:P28523"
   ]
  },
  {
   "line": 22016,
   "comp_id": "R2V",
   "ikey_connectivity": "DNCWBHYPLQFCLB",
   "smiles": "Nc1ncnc2c1ncn2C1OC(CNS(=O)(=O)NC(=O)c2cccc(O)c2)C(O)C1O",
   "targets": [
    "UNP:A0A2U4DY99"
   ]
  },
  {
   "line": 20240,
   "comp_id": "OEV",
   "ikey_connectivity": "UPZUHYMBTUUPML",
   "smiles": "CCCCCCCCNC1C=C(CO)C(O)C(O)C1O",
   "targets": [
    "UNP:Q24451"
   ]
  },
  {
   "line": 5333,
   "comp_id": "7WK",
   "ikey_connectivity": "IUPYLWAXGAJZQC",
   "smiles": "COc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12",
   "targets": [
    "UNP:O86049"
   ]
  },
  {
   "line": 174,
   "comp_id": "0BL",
   "ikey_connectivity": "QERFBMVUQIBGIZ",
   "smiles": "CC1c2ccccc2OC1C(=O)NCc1sc(C(=N)N)cc1-c1ccccc1",
   "targets": [
    "UNP:P31947",
    "UNP:Q4VCS5"
   ]
  },
  {
   "line": 13731,
   "comp_id": "ELM",
   "ikey_connectivity": "IUMALAAYPYPBAP",
   "smiles": "CCCCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1",
   "targets": [
    "UNP:P01887",
    "UNP:P11609"
   ]
  },
  {
   "line": 3522,
   "comp_id": "5G4",
   "ikey_connectivity": "VXKQHCLQGKBGDO",
   "smiles": "Cc1ccccc1N=C(c1ccc(O)cc1)c1ccc(O)cc1O",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 14262,
   "comp_id": "FF8",
   "ikey_connectivity": "USQOVYLRWBOSQC",
   "smiles": "CCCCCCNC(=O)Oc1cccc(-c2ccc(C(C)C(=O)O)cc2F)c1",
   "targets": [
    "UNP:Q05769"
   ]
  },
  {
   "line": 11890,
   "comp_id": "BQF",
   "ikey_connectivity": "OXUKTNZACAKVRG",
   "smiles": "O=C(O)c1ccc(C(=O)N2CCc3c(c(=O)oc4ccccc34)C2)cc1",
   "targets": [
    "UNP:P13995"
   ]
  },
  {
   "line": 14977,
   "comp_id": "GFK",
   "ikey_connectivity": "MDFQKZXRTVTODM",
   "smiles": "COc1ccc2nc(-c3noc(C4CCN(C(=O)CCC(F)(F)F)CC4)n3)sc2c1",
   "targets": [
    "UNP:P9WMC1"
   ]
  },
  {
   "line": 22647,
   "comp_id": "RZO",
   "ikey_connectivity": "ANMIMWNFRRKSMF",
   "smiles": "CC(=CCOP(=O)(O)C(Cl)(Cl)P(=O)(O)O)CO",
   "targets": [
    "UNP:O00481"
   ]
  },
  {
   "line": 1638,
   "comp_id": "2KS",
   "ikey_connectivity": "JACSEOHFDRDIAI",
   "smiles": "NCC1(c2ccccc2)CCC(OCC=Cc2ccccc2)CC1",
   "targets": [
    "UNP:P27487"
   ]
  },
  {
   "line": 21599,
   "comp_id": "QIR",
   "ikey_connectivity": "ILIKJSAPLUUPEN",
   "smiles": "O=C(O)C(O)C1CCCN(c2ncnc3[nH]c4cc(F)ccc4c23)C1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 19991,
   "comp_id": "O3H",
   "ikey_connectivity": "AFXJUCILCGBUNX",
   "smiles": "O=c1[nH]c(SCCN2CCN(c3ccccn3)CC2)nc2ccccc12",
   "targets": [
    "UNP:P09874"
   ]
  },
  {
   "line": 6601,
   "comp_id": "9MY",
   "ikey_connectivity": "JJRPVOCGGUAZIT",
   "smiles": "COC(c1ccccc1)c1nc2cc(F)c(F)cc2n1C(C(=O)NC1CCC(O)CC1)C1CCCCC1",
   "targets": [
    "UNP:Q15788",
    "UNP:Q96RI1"
   ]
  },
  {
   "line": 13670,
   "comp_id": "EIJ",
   "ikey_connectivity": "KRTOMQDUKGRFDJ",
   "smiles": "CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O",
   "targets": [
    "UNP:P49802",
    "UNP:P62881",
    "UNP:Q5T848"
   ]
  },
  {
   "line": 10155,
   "comp_id": "A1J1K",
   "ikey_connectivity": "PMGINGFEKNVNTN",
   "smiles": "CC(C)Nc1ccc(CC(Sc2ncccc2C(=O)O)c2ccccc2)cc1",
   "targets": [
    "UNP:P08515",
    "UNP:Q14562"
   ]
  },
  {
   "line": 687,
   "comp_id": "16C",
   "ikey_connectivity": "YDNKGFDKKRUKPY",
   "smiles": "CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCC",
   "targets": [
    "UNP:O33853",
    "UNP:P25090",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096",
    "UNP:Q96LT4",
    "UNP:Q9NS75",
    "UNP:Q9Y5P4"
   ]
  },
  {
   "line": 3754,
   "comp_id": "5RY",
   "ikey_connectivity": "GEUVDHJEINQZML",
   "smiles": "N#Cc1ccc(CSc2nc3c(=O)[nH]c(N)nc3[nH]2)c(F)c1",
   "targets": [
    "UNP:P26281",
    "UNP:Q2G0Q5"
   ]
  },
  {
   "line": 11574,
   "comp_id": "B7V",
   "ikey_connectivity": "MFWQXZZXOUIDTN",
   "smiles": "COc1cc(Nc2nn(C3COCCC3C#N)cc2C(N)=O)ccc1Cl",
   "targets": [
    "UNP:P23458"
   ]
  },
  {
   "line": 18503,
   "comp_id": "LKQ",
   "ikey_connectivity": "VVOKUJIAOSWPTI",
   "smiles": "COc1nn(C)cc1Nc1ncc(C)c(-c2c[nH]c3c(NC(=O)c4cccnc4C)cccc23)n1",
   "targets": [
    "UNP:P23458"
   ]
  },
  {
   "line": 21097,
   "comp_id": "PR8",
   "ikey_connectivity": "KQFKHTAASHMYDJ",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC(=O)C2CCCN2)C(O)C1O",
   "targets": [
    "UNP:A8BR89",
    "UNP:O30408",
    "UNP:P09095"
   ]
  },
  {
   "line": 13073,
   "comp_id": "DP1",
   "ikey_connectivity": "KUZKVXUOMSVPOA",
   "smiles": "N=C(NCCCC(N)C(=O)NC(CCN)C(N)=O)N[N+](=O)[O-]",
   "targets": [
    "UNP:P29473",
    "UNP:P29476"
   ]
  },
  {
   "line": 13714,
   "comp_id": "EKT",
   "ikey_connectivity": "OBURZOUEBBWMPC",
   "smiles": "CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1(C)C",
   "targets": [
    "UNP:O60674"
   ]
  },
  {
   "line": 18648,
   "comp_id": "LSK",
   "ikey_connectivity": "UBOFQOGNZXZZPE",
   "smiles": "COC(=O)c1cc(O)c2cc(NC(=O)NCCCCCNC(=N)NCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)ccc2c1",
   "targets": [
    "UNP:Q6NZB1",
    "UNP:Q9WVG6"
   ]
  },
  {
   "line": 16738,
   "comp_id": "J3I",
   "ikey_connectivity": "MQLNFLUDIXFKTN",
   "smiles": "N=C(N)N1CCC(CNC(=O)C2CCCN2C(=O)C(N)Cc2ccccc2)CC1",
   "targets": [
    "UNP:P00734",
    "UNP:P00760",
    "UNP:P09945"
   ]
  },
  {
   "line": 11476,
   "comp_id": "B31",
   "ikey_connectivity": "XEQLFNPSYWZPOW",
   "smiles": "NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(OC2OC(CO)C(O)C2O)C1O",
   "targets": [
    "UNP:P0A3Y5"
   ]
  },
  {
   "line": 10799,
   "comp_id": "A1LX2",
   "ikey_connectivity": "BYGLKGASANHTOA",
   "smiles": "N=Cc1nn(-c2ccc(C(F)(F)F)c(F)c2)c(=O)n(CC(=O)c2ccccn2)c1=O",
   "targets": [
    "UNP:P0DTC1"
   ]
  },
  {
   "line": 18586,
   "comp_id": "LPC",
   "ikey_connectivity": "VXUOFDJKYGDUJI",
   "smiles": "CCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C",
   "targets": [
    "UNP:P02768",
    "UNP:P0ABE7",
    "UNP:P24296",
    "UNP:P41145",
    "UNP:P49682",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:Q5T601",
    "UNP:Q5U3C3",
    "UNP:Q9XEA1"
   ]
  },
  {
   "line": 4035,
   "comp_id": "65N",
   "ikey_connectivity": "JEGBSKQTMYWCPV",
   "smiles": "CN(c1ccc(OC(F)(F)F)cc1)c1ccc2nc(N)nc(N)c2n1",
   "targets": [
    "UNP:P00374"
   ]
  },
  {
   "line": 27083,
   "comp_id": "YMT",
   "ikey_connectivity": "DUZNKLSIWRLVOS",
   "smiles": "Cc1ccc(-c2cc(C(=O)O)c3cn(Cc4ccccc4)nc3c2)c(Cl)c1",
   "targets": [
    "UNP:Q8N884"
   ]
  },
  {
   "line": 27534,
   "comp_id": "ZJY",
   "ikey_connectivity": "OIRPWGZAWBASNA",
   "smiles": "COc1ccc2nc(C)c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6(C)CC6)CC5C=CCCCCCC(NC(=O)OCC5(C(F)(F)F)CC5)C(=O)N4C3)nc2c1",
   "targets": [
    "UNP:A0A0B4WYC6"
   ]
  },
  {
   "line": 12467,
   "comp_id": "COK",
   "ikey_connectivity": "MQCDRNSLNTXXSJ",
   "smiles": "CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSSCCO",
   "targets": [
    "UNP:P9WPA7"
   ]
  },
  {
   "line": 8446,
   "comp_id": "A1CDF",
   "ikey_connectivity": "QFUHCIYHPLDGNV",
   "smiles": "CCOc1ccc(F)c(C(=O)NNS(=O)(=O)c2cccc(OCCO)c2)c1",
   "targets": [
    "UNP:Q9H7Z6"
   ]
  },
  {
   "line": 23819,
   "comp_id": "TXF",
   "ikey_connectivity": "ZVSFNBNLNLXEFQ",
   "smiles": "CN(C)CCOc1ccc(C(=C(CCCO)c2ccccc2)c2ccc(O)cc2)cc1",
   "targets": [
    "UNP:P62508"
   ]
  },
  {
   "line": 27296,
   "comp_id": "YW4",
   "ikey_connectivity": "CPMHHQADTDWUSX",
   "smiles": "Cc1noc(C)c1-c1cc(C(N)=O)c2c3ccc(C(C)(C)O)cc3n(Cc3ccccc3)c2c1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 13177,
   "comp_id": "DV6",
   "ikey_connectivity": "XGMLHKDWXWTLLL",
   "smiles": "C[N+](C)(C)C(CC1=CNC(SS)N1)C(=O)O",
   "targets": [
    "UNP:B3ECE3"
   ]
  },
  {
   "line": 26446,
   "comp_id": "XVE",
   "ikey_connectivity": "OYHLRJGDELITAF",
   "smiles": "O=C(NC(Cc1ccccc1)C(=O)CCl)OCc1ccccc1",
   "targets": [
    "UNP:P42574"
   ]
  },
  {
   "line": 2502,
   "comp_id": "3Y4",
   "ikey_connectivity": "QPRIEKZFCOMXST",
   "smiles": "COC(=O)Nc1ccc(-c2[nH]c(C(Cc3ccccc3)NC(=O)CCc3cc(Cl)ccc3-n3cnnn3)nc2Cl)cc1",
   "targets": [
    "UNP:P03951"
   ]
  },
  {
   "line": 12741,
   "comp_id": "D4K",
   "ikey_connectivity": "JABPEOHMWOYYAX",
   "smiles": "COc1cccc(C(c2ccccc2)C2CCCN2)c1",
   "targets": [
    "UNP:P10636",
    "UNP:P31947"
   ]
  },
  {
   "line": 25298,
   "comp_id": "W8I",
   "ikey_connectivity": "ACCDLDCDCLNKCH",
   "smiles": "CC1(N)CCN(c2cnc3nc(Sc4cccc(Cl)c4Cl)ccc3n2)CC1",
   "targets": [
    "UNP:Q06124"
   ]
  },
  {
   "line": 25898,
   "comp_id": "X3Q",
   "ikey_connectivity": "JEICNGBHPARDOJ",
   "smiles": "CC(c1ccccc1)n1c(=O)c(N2CCNCC2)nc2cnc(-c3cnc4cccnn34)cc21",
   "targets": [
    "UNP:P27448"
   ]
  },
  {
   "line": 2279,
   "comp_id": "3LJ",
   "ikey_connectivity": "MTDHILKWIRSIHB",
   "smiles": "NC1C(O)OC(COS(=O)(=O)O)C(O)C1O",
   "targets": [
    "UNP:Q15485"
   ]
  },
  {
   "line": 18438,
   "comp_id": "LH9",
   "ikey_connectivity": "NXAQGVNJNZDCNZ",
   "smiles": "CCCCCCCC=CCCCCCCCC(=O)OCC(O)CO",
   "targets": [
    "UNP:P18895",
    "UNP:P23930"
   ]
  },
  {
   "line": 15987,
   "comp_id": "I0D",
   "ikey_connectivity": "YJJYUKCKKSVTAG",
   "smiles": "CN1CCc2c(cccc2Nc2cnn(C)c(=O)c2Cl)C1",
   "targets": [
    "UNP:Q9H8M2"
   ]
  },
  {
   "line": 12511,
   "comp_id": "CR3",
   "ikey_connectivity": "CFSQPEBVGUSQII",
   "smiles": "NC(=[NH2+])c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3[O-])cc2c1",
   "targets": [
    "UNP:P00760"
   ]
  },
  {
   "line": 26998,
   "comp_id": "YJX",
   "ikey_connectivity": "OBSCRMJWHBYWSE",
   "smiles": "O=C1c2ccccc2C2=C(c3nc4ccncc4[nH]3)CCCN12",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 18976,
   "comp_id": "MBY",
   "ikey_connectivity": "UZJHCHSHAYEOTK",
   "smiles": "OCC1C(O)C(O)CN1Cc1csc2c(O)ncnc12",
   "targets": [
    "UNP:Q57ZL6"
   ]
  },
  {
   "line": 12077,
   "comp_id": "C23",
   "ikey_connectivity": "ZUAGYVKWPGUWFU",
   "smiles": "Cc1c(C(=O)CCc2ccccc2)oc2cccc(OC3CCNCC3)c12",
   "targets": [
    "UNP:A5K1A2"
   ]
  },
  {
   "line": 17812,
   "comp_id": "KL4",
   "ikey_connectivity": "PTOVOAJZRWYLQM",
   "smiles": "Cc1cc(N)nc(CCc2cc(F)cc(CCC3CCCN3)c2)c1",
   "targets": [
    "UNP:P29474",
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 804,
   "comp_id": "1C2",
   "ikey_connectivity": "PPSSYXOFPICMQD",
   "smiles": "CNC(=O)C1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)OC(C)(C)C",
   "targets": [
    "UNP:P18031"
   ]
  },
  {
   "line": 11977,
   "comp_id": "BWG",
   "ikey_connectivity": "HACVSHGRHKRNKG",
   "smiles": "CC(=O)c1cnc(NC2OC(CO)C(O)C(O)C2O)s1",
   "targets": [
    "UNP:P08191"
   ]
  },
  {
   "line": 19358,
   "comp_id": "N1N",
   "ikey_connectivity": "QJJVAUMJKWWKTD",
   "smiles": "Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccccc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl",
   "targets": [
    "UNP:P0A0K8",
    "UNP:P0AES6"
   ]
  },
  {
   "line": 23163,
   "comp_id": "SSE",
   "ikey_connectivity": "WLNWUNIGATZIKW",
   "smiles": "[O-]S([O-])([O-])OC(CO)C(O)C[Se+]1CC(O)C(O)C1CO",
   "targets": [
    "UNP:Q24451"
   ]
  },
  {
   "line": 7533,
   "comp_id": "A1AVW",
   "ikey_connectivity": "PUPVGVXYYARGHV",
   "smiles": "CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)cc(Cl)n3)CC2)cc1)S(C)(=O)=O",
   "targets": [
    "UNP:A6T5R0"
   ]
  },
  {
   "line": 25232,
   "comp_id": "W4E",
   "ikey_connectivity": "BTNHPUSFPKFAPU",
   "smiles": "COc1cc2c(cc1Oc1ccccc1)C(Cc1ccc(Oc3ccccc3)cc1)N(C)CC2",
   "targets": [
    "UNP:Q8NHX9"
   ]
  },
  {
   "line": 25596,
   "comp_id": "WO5",
   "ikey_connectivity": "GOXYRNXMVFDYOZ",
   "smiles": "[O-][W]([O-])([O-])([O-])[O-]",
   "targets": [
    "UNP:P84147"
   ]
  },
  {
   "line": 8846,
   "comp_id": "A1D84",
   "ikey_connectivity": "OVPMEUICXCKOJF",
   "smiles": "Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CCC(N)C3)c2)cc(C(N)=O)c1N",
   "targets": [
    "UNP:Q99640"
   ]
  },
  {
   "line": 26331,
   "comp_id": "XPN",
   "ikey_connectivity": "WTPBXXCVZZZXKR",
   "smiles": "CNCCc1c[nH]c2cccc(OP(=O)(O)O)c12",
   "targets": [
    "UNP:P0DPA9"
   ]
  },
  {
   "line": 7718,
   "comp_id": "A1B5B",
   "ikey_connectivity": "QGOOPSUEGGPXHT",
   "smiles": "CSc1ccccc1CC(=O)N1CC(C(N)=O)CC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 6093,
   "comp_id": "8Z4",
   "ikey_connectivity": "UNEWFLJRNQWALM",
   "smiles": "COc1ccc(C2=NN(C(C)C)C(=O)C3CC=CCC23)cc1-c1ccc(C(=O)N2CCC(O)C2)cc1",
   "targets": [
    "UNP:Q8WQX9"
   ]
  },
  {
   "line": 6438,
   "comp_id": "9FI",
   "ikey_connectivity": "DAMXHAMKVXERLM",
   "smiles": "NCC1CCCC(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1",
   "targets": [
    "UNP:P30874",
    "UNP:P54311",
    "UNP:P63096",
    "UNP:P63212"
   ]
  },
  {
   "line": 541,
   "comp_id": "0XH",
   "ikey_connectivity": "RBNYBLHXBHWSCZ",
   "smiles": "O=C(Nc1ccnc(NC(=O)C2CC2F)c1)c1c(Cl)cccc1Cl",
   "targets": [
    "UNP:P29597"
   ]
  },
  {
   "line": 5540,
   "comp_id": "866",
   "ikey_connectivity": "LKQMULLPLYLIGW",
   "smiles": "CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl",
   "targets": [
    "UNP:P04150",
    "UNP:Q15596"
   ]
  },
  {
   "line": 26909,
   "comp_id": "YGB",
   "ikey_connectivity": "DQQUPPOGGCLVBE",
   "smiles": "O=C(NCc1cnn[nH]1)C1CC2CN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2C1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 11086,
   "comp_id": "ADX",
   "ikey_connectivity": "IRLPACMLTUPBCL",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(O)C1O",
   "targets": [
    "UNP:A0A101DF63",
    "UNP:O28603",
    "UNP:O28604",
    "UNP:O43252",
    "UNP:O95340",
    "UNP:P72940",
    "UNP:P9WNM5",
    "UNP:Q12657",
    "UNP:Q43295",
    "UNP:Q5SKH7",
    "UNP:Q8SAG1"
   ]
  },
  {
   "line": 8246,
   "comp_id": "A1BWU",
   "ikey_connectivity": "NESGURPSHDOKFU",
   "smiles": "O=C(CCl)N1CCC(Cc2ccccc2)CC1",
   "targets": [
    "UNP:P78417"
   ]
  },
  {
   "line": 12707,
   "comp_id": "D2R",
   "ikey_connectivity": "MAWHZPJVFGJFTF",
   "smiles": "COc1ccc(C#CCCCC(=O)O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1",
   "targets": [
    "UNP:P16184"
   ]
  },
  {
   "line": 10235,
   "comp_id": "A1JDP",
   "ikey_connectivity": "PEDMWTLVZNXASH",
   "smiles": "C#CCN1CCC(CN(CCOC)C(=O)c2ccc3ccccc3c2)C1",
   "targets": [
    "UNP:P06276"
   ]
  },
  {
   "line": 23088,
   "comp_id": "SNW",
   "ikey_connectivity": "SNIATPDKUZZXAT",
   "smiles": "NC(=O)CCC(NCC1(O)OCC(O)C(O)C1O)C(=O)O",
   "targets": [
    "UNP:A0A822VA67",
    "UNP:Q7D447",
    "UNP:Q9WWF5"
   ]
  },
  {
   "line": 1017,
   "comp_id": "1N6",
   "ikey_connectivity": "VWACYUAZKMPNOH",
   "smiles": "NC1CCC(Nc2nc(Nc3cccc(C(F)(F)F)c3)c3c(=O)[nH]ccc3n2)CC1",
   "targets": [
    "UNP:P11309"
   ]
  },
  {
   "line": 2458,
   "comp_id": "3VP",
   "ikey_connectivity": "HUZWRILIHNBINL",
   "smiles": "NC1=NC2(c3ccc(F)cc3F)COC(CF)CC2CS1",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 1222,
   "comp_id": "1X7",
   "ikey_connectivity": "KBJKAURPHBWEOT",
   "smiles": "NC(=O)c1cnc(N)c2cc(Br)sc12",
   "targets": [
    "UNP:Q837V6"
   ]
  },
  {
   "line": 26677,
   "comp_id": "Y6D",
   "ikey_connectivity": "LHBIUOYHJIXRST",
   "smiles": "O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2cccnc2)cc1",
   "targets": [
    "UNP:P0C6U8"
   ]
  },
  {
   "line": 26811,
   "comp_id": "YC0",
   "ikey_connectivity": "PJLZTFVARNCYGK",
   "smiles": "COC(=O)C(CO)NC(=O)NC1(C)CCC2(C)CCC3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)C4(C)CCC3(C)C2C1",
   "targets": [
    "UNP:Q06830"
   ]
  },
  {
   "line": 22620,
   "comp_id": "RYB",
   "ikey_connectivity": "FLBSSPVVUCLCOS",
   "smiles": "CN(C)CCOc1ccc2cncc(N3CCC4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 24265,
   "comp_id": "ULE",
   "ikey_connectivity": "VGUKTEKHFHLCSV",
   "smiles": "CNC(=O)c1cc(C(=O)NC2CC2)cc(C(C)c2ccccc2)n1",
   "targets": [
    "UNP:P25440"
   ]
  },
  {
   "line": 17541,
   "comp_id": "K6T",
   "ikey_connectivity": "LZGYXCFYIGRPJS",
   "smiles": "N=C(N)c1cc(-c2ccccc2)c(Nc2cccc(N)c2)s1",
   "targets": [
    "UNP:P04637",
    "UNP:P31947"
   ]
  },
  {
   "line": 1480,
   "comp_id": "2BK",
   "ikey_connectivity": "IZWQBQLGLAKRMN",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(CNC(C(=O)O)C(C)O)c1O",
   "targets": [
    "UNP:P75823",
    "UNP:Q0K313"
   ]
  },
  {
   "line": 25541,
   "comp_id": "WKR",
   "ikey_connectivity": "SGVUEVJCXUVNAR",
   "smiles": "CC(C)(C)Sc1nc(=S)nc(-c2ccccc2)[nH]1",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 9027,
   "comp_id": "A1ECX",
   "ikey_connectivity": "MBYNDKVOZOAOIS",
   "smiles": "CCCCCCC=CCCCCCCCCCc1cccc(O)c1C(=O)O",
   "targets": [
    "UNP:Q77DJ5"
   ]
  },
  {
   "line": 6650,
   "comp_id": "9P5",
   "ikey_connectivity": "HSPYNMFOCRTYFY",
   "smiles": "CS(=O)(=O)c1ccc(C(O)C2C(O)CCCC2O)c(Cl)c1OCCC1OCCO1",
   "targets": [
    "UNP:P93836"
   ]
  },
  {
   "line": 3593,
   "comp_id": "5JM",
   "ikey_connectivity": "FMPAHDTULKAUPN",
   "smiles": "O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)NC(Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1",
   "targets": [
    "UNP:P03951"
   ]
  },
  {
   "line": 6596,
   "comp_id": "9MP",
   "ikey_connectivity": "URGAGGFDWSHABX",
   "smiles": "COC(c1ccccc1)c1nc2cc(F)c(F)cc2n1C(C(=O)NC1CCCCC1)C1CCCCC1",
   "targets": [
    "UNP:Q15788",
    "UNP:Q96RI1"
   ]
  },
  {
   "line": 18764,
   "comp_id": "M07",
   "ikey_connectivity": "SCPKUJWXPVROSY",
   "smiles": "COc1ccc(C2=NOC3(C2)OC(CO)C(O)C(O)C3O)cc1",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 6918,
   "comp_id": "A1A0G",
   "ikey_connectivity": "JITPECVQOVGCHH",
   "smiles": "CNCc1cc(Cl)cc(-c2cc(C)cc(N)n2)c1",
   "targets": [
    "UNP:P29475",
    "UNP:P29476"
   ]
  },
  {
   "line": 25899,
   "comp_id": "X3S",
   "ikey_connectivity": "JRCVTCDIBTUNEL",
   "smiles": "Cc1sc(C(=O)NC2COC2)cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1",
   "targets": [
    "UNP:P53779"
   ]
  },
  {
   "line": 2501,
   "comp_id": "3Y3",
   "ikey_connectivity": "PKKLAAQPYSEUAW",
   "smiles": "NCc1ccc(Cl)cc1CNC(=O)NC(Cc1ccccc1)c1nc(-c2ccc3c(N)n[nH]c3c2)c(Cl)[nH]1",
   "targets": [
    "UNP:P03951"
   ]
  },
  {
   "line": 10917,
   "comp_id": "A2X",
   "ikey_connectivity": "KOUOSAPHOUALKH",
   "smiles": "Cc1cc(C)nc(SCC(=O)Nc2ccc(Sc3ccccc3)cc2)n1",
   "targets": [
    "UNP:Q8IXJ6"
   ]
  },
  {
   "line": 239,
   "comp_id": "0GV",
   "ikey_connectivity": "YIKKMWSQVKJCOP",
   "smiles": "CC(C)CCCC(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C",
   "targets": [
    "UNP:B2HHT9",
    "UNP:P22680"
   ]
  },
  {
   "line": 19421,
   "comp_id": "N5D",
   "ikey_connectivity": "FKXAIMDAHQONDI",
   "smiles": "Cc1cc(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)no1",
   "targets": [
    "UNP:O60229",
    "UNP:P63000"
   ]
  },
  {
   "line": 18831,
   "comp_id": "M40",
   "ikey_connectivity": "JRFNCWJMGHZHFL",
   "smiles": "O=C(NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)OCc1ccccc1",
   "targets": [
    "UNP:Q83883"
   ]
  },
  {
   "line": 26245,
   "comp_id": "XLK",
   "ikey_connectivity": "OEUSHDZYFDYIIU",
   "smiles": "CC(CCC(=O)CF)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C",
   "targets": [
    "UNP:A0A833FHE1"
   ]
  },
  {
   "line": 17621,
   "comp_id": "KAU",
   "ikey_connectivity": "YRJORQQDPLPVBU",
   "smiles": "Cn1cc(-c2ccncc2)c(C(=O)NC2CCN(c3ccc(Cl)cn3)C2)n1",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 18781,
   "comp_id": "M0U",
   "ikey_connectivity": "IFJMXDFIGLLVMW",
   "smiles": "CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CNCC2CCCCC2)cc1",
   "targets": [
    "UNP:P07900"
   ]
  },
  {
   "line": 11306,
   "comp_id": "AT4",
   "ikey_connectivity": "HCIKUKNAJRJFOW",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)S)C(O)C1O",
   "targets": [
    "UNP:D0VWX4",
    "UNP:Q7M537"
   ]
  },
  {
   "line": 19777,
   "comp_id": "NQB",
   "ikey_connectivity": "ZMAZXHICVRYLQN",
   "smiles": "Cc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O",
   "targets": [
    "UNP:Q16539"
   ]
  },
  {
   "line": 1443,
   "comp_id": "29O",
   "ikey_connectivity": "ZGENBODMIMDNJM",
   "smiles": "O=C(CBr)Nc1cc(NC(=O)CBr)cc(NC(=O)CBr)c1",
   "targets": [
    "UNP:P00749"
   ]
  },
  {
   "line": 4055,
   "comp_id": "66B",
   "ikey_connectivity": "SOUDNDRWZSIFBW",
   "smiles": "CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCCCC(=O)O",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 2919,
   "comp_id": "4L6",
   "ikey_connectivity": "PTHVKCSYXICMAR",
   "smiles": "Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(C(N)=O)nnc12",
   "targets": [
    "UNP:Q06187"
   ]
  },
  {
   "line": 9939,
   "comp_id": "A1IP3",
   "ikey_connectivity": "XDNOEXMPEAPANB",
   "smiles": "O=C(O)c1ccc(-c2nn(C(=O)c3ccccc3Cl)c3ccc(Cl)cc23)c(OCc2ccccc2)c1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 16073,
   "comp_id": "I54",
   "ikey_connectivity": "VHSJYWSZMIFGBF",
   "smiles": "CC(C)CC(NC(=O)OCc1ccccc1Cl)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 23262,
   "comp_id": "SZ6",
   "ikey_connectivity": "LCGNLQSOSJFLKR",
   "smiles": "Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1",
   "targets": [
    "UNP:Q15118"
   ]
  },
  {
   "line": 25747,
   "comp_id": "WWJ",
   "ikey_connectivity": "AUNHHPCCLQISEV",
   "smiles": "CCc1c[nH]c2ncnc(N3CCCC(Cc4nc(C)no4)C3)c12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 8211,
   "comp_id": "A1BUY",
   "ikey_connectivity": "XRPFMKQNIDENOJ",
   "smiles": "O=C(NC1CCOC1)c1ccccc1C(=O)c1ccc(F)cc1",
   "targets": [
    "UNP:P50870"
   ]
  },
  {
   "line": 15876,
   "comp_id": "HV4",
   "ikey_connectivity": "QREKGPHPIGGKCE",
   "smiles": "C#CCOc1ccc(C=C2SC(=S)NC2=O)cc1",
   "targets": [
    "UNP:P37231"
   ]
  },
  {
   "line": 12041,
   "comp_id": "C02",
   "ikey_connectivity": "MEUAVGJWGDPTLF",
   "smiles": "Cn1c(Cc2ccc(C(=N)N)cc2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21",
   "targets": [
    "UNP:P00734",
    "UNP:P28504"
   ]
  },
  {
   "line": 18984,
   "comp_id": "MCF",
   "ikey_connectivity": "QLPPCUVJNCMYFD",
   "smiles": "CSCC1OC(n2cnc3c2N=CNCC3O)C(O)C1O",
   "targets": [
    "UNP:A5KE01",
    "UNP:Q9HZ64",
    "UNP:Q9ZMG8"
   ]
  },
  {
   "line": 14692,
   "comp_id": "G1N",
   "ikey_connectivity": "OLGRJQGVXXCIMN",
   "smiles": "O=C(O)c1ncsc1NS(=O)(=O)c1cccnc1",
   "targets": [
    "UNP:Q9K2N0"
   ]
  },
  {
   "line": 26378,
   "comp_id": "XS0",
   "ikey_connectivity": "IPSYPUKKXMNCNQ",
   "smiles": "CNC(=O)C1OC(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)C(O)C1O",
   "targets": [
    "UNP:A0A0B4J1H6",
    "UNP:P0DMS8",
    "UNP:P35342",
    "UNP:P54311",
    "UNP:P63096",
    "UNP:P63097",
    "UNP:P63212"
   ]
  },
  {
   "line": 17882,
   "comp_id": "KOU",
   "ikey_connectivity": "ZTQZHYMXYBDMIL",
   "smiles": "Cc1ncc(COP(=O)(O)O)c(C=NC(CO)C(=O)O)c1O",
   "targets": [
    "UNP:P00929",
    "UNP:P0A2K1",
    "UNP:P35520",
    "UNP:Q5H4T8",
    "UNP:Q5SI56",
    "UNP:Q72IH2",
    "UNP:Q9VRD9"
   ]
  },
  {
   "line": 4366,
   "comp_id": "6LU",
   "ikey_connectivity": "SPEYBQKWONGMOH",
   "smiles": "Cc1cc(C)cc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 25451,
   "comp_id": "WFY",
   "ikey_connectivity": "HDYFVAJZXGMYBL",
   "smiles": "Cc1cn(C(C)C2(F)CCNC2)c2nc(C(N)=O)cc(Cl)c12",
   "targets": [
    "UNP:P11309"
   ]
  },
  {
   "line": 21509,
   "comp_id": "QEO",
   "ikey_connectivity": "QQXQGKSPIMGUIZ",
   "smiles": "Nc1nc2c(c(CNC3C=CC(O)C3O)cn2C2OC(CO)C(O)C2O)c(=O)[nH]1",
   "targets": [
    "UNP:D1C7A6"
   ]
  },
  {
   "line": 4272,
   "comp_id": "6HJ",
   "ikey_connectivity": "KFYRXHYWURCCBT",
   "smiles": "C=CC(=O)N1CCCC(n2nc(-c3cn(C)c4ccccc34)c3c(N)ncnc32)C1",
   "targets": [
    "UNP:P00533"
   ]
  },
  {
   "line": 16217,
   "comp_id": "IDP",
   "ikey_connectivity": "JPXZQMKKFWMMGK",
   "smiles": "O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O",
   "targets": [
    "UNP:P43075",
    "UNP:Q7Z8P9"
   ]
  },
  {
   "line": 12936,
   "comp_id": "DF9",
   "ikey_connectivity": "DIGGNILBPCEZIV",
   "smiles": "Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12",
   "targets": [
    "UNP:P0AF14"
   ]
  },
  {
   "line": 127,
   "comp_id": "08O",
   "ikey_connectivity": "DPUOLQHDNGRHBS",
   "smiles": "CCCCCCCCC=CCCCCCCCCCCCC(=O)O",
   "targets": [
    "UNP:A0A2T7NVP5",
    "UNP:A0A2T7NVP6",
    "UNP:J7HZ90",
    "UNP:J7I2T6",
    "UNP:P05413"
   ]
  },
  {
   "line": 12497,
   "comp_id": "CQC",
   "ikey_connectivity": "ZWUMMDOCWXLHBD",
   "smiles": "CC1=NN(C)C(=O)C1=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O",
   "targets": [
    "UNP:P93836"
   ]
  },
  {
   "line": 12951,
   "comp_id": "DGF",
   "ikey_connectivity": "FHQOUTNMKXYVEY",
   "smiles": "CC(O)C(C=O)C1N=C(C(=O)O)C(C2CCCO2)S1",
   "targets": [
    "UNP:I6Y9J2",
    "UNP:P24228",
    "UNP:P9WKD3",
    "UNP:Q6XEC0"
   ]
  },
  {
   "line": 17501,
   "comp_id": "K4Y",
   "ikey_connectivity": "WMPXPUYPYQKQCX",
   "smiles": "COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1",
   "targets": [
    "UNP:Q3JRA0"
   ]
  },
  {
   "line": 25390,
   "comp_id": "WDA",
   "ikey_connectivity": "LTIPFOPSFABABS",
   "smiles": "Cn1c(=O)c2c(ncn2Cc2ccc(CC3C(=O)NC(=O)NC3=O)cc2)n(C)c1=O",
   "targets": [
    "UNP:Q86W56"
   ]
  },
  {
   "line": 7833,
   "comp_id": "A1BBN",
   "ikey_connectivity": "JKQJOCULWFLWGT",
   "smiles": "OC1(CNc2ncnc3[nH]ccc23)CC2CCC1CC2",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 22317,
   "comp_id": "RHQ",
   "ikey_connectivity": "IWWWBRIIGAXLCJ",
   "smiles": "CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C",
   "targets": [
    "UNP:A0A0H3JRN6",
    "UNP:O06967",
    "UNP:P33302",
    "UNP:P37637",
    "UNP:Q8KFZ1"
   ]
  },
  {
   "line": 23177,
   "comp_id": "STI",
   "ikey_connectivity": "KTUFNOKKBVMGRW",
   "smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1",
   "targets": [
    "UNP:P00519",
    "UNP:P00520",
    "UNP:P00523",
    "UNP:P10721",
    "UNP:P16083",
    "UNP:P16234",
    "UNP:P42684",
    "UNP:P43405",
    "UNP:Q08345",
    "UNP:Q9UNQ0"
   ]
  },
  {
   "line": 8142,
   "comp_id": "A1BS0",
   "ikey_connectivity": "OEVXZKJZIWUQNR",
   "smiles": "CSc1ccccc1CC(=O)N1CCCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 26575,
   "comp_id": "Y1S",
   "ikey_connectivity": "IWBAEWXJNBZVON",
   "smiles": "O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1",
   "targets": [
    "UNP:Q8WWQ0"
   ]
  },
  {
   "line": 27531,
   "comp_id": "ZJV",
   "ikey_connectivity": "RTCPQVJDZHADDP",
   "smiles": "COc1ccc2nc(C)c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6(C)CC6)CC5C=CCCCCCC(NC(=O)OC(C)C(F)(F)F)C(=O)N4C3)nc2c1",
   "targets": [
    "UNP:A0A0B4WYC6"
   ]
  },
  {
   "line": 19909,
   "comp_id": "NY2",
   "ikey_connectivity": "GPUSMPJXAIFKFV",
   "smiles": "O=c1[nH]n2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1Br",
   "targets": [
    "UNP:A0A0H3GM04"
   ]
  },
  {
   "line": 18155,
   "comp_id": "L2M",
   "ikey_connectivity": "",
   "smiles": "C[N]12Cc3cccc[n]3->[Fe]<-134<-[O-]C(=O)C[N]->3(Cc1cccc[n]->41)C1CCCCC12",
   "targets": [
    "UNP:P33590"
   ]
  },
  {
   "line": 2920,
   "comp_id": "4L7",
   "ikey_connectivity": "ZYTJGVHIDBAIRI",
   "smiles": "O=C(c1ccc(Br)s1)C1CNCC1c1ccc2c(=O)[nH]cnc2c1",
   "targets": [
    "UNP:P00517",
    "UNP:P17612",
    "UNP:P61925"
   ]
  },
  {
   "line": 23436,
   "comp_id": "T8Z",
   "ikey_connectivity": "IEEIOQSIZMWGTQ",
   "smiles": "Cn1nncc1-c1nc2ccc(CN3CCCC3c3ccncc3)cc2[nH]1",
   "targets": [
    "UNP:Q9UIF9"
   ]
  },
  {
   "line": 14304,
   "comp_id": "FHH",
   "ikey_connectivity": "LFOKUSURFOQCKJ",
   "smiles": "COC(=O)CCCNC(=O)c1cc2c([nH]c1=O)CCC2",
   "targets": [
    "UNP:Q96EP0"
   ]
  },
  {
   "line": 8998,
   "comp_id": "A1EAT",
   "ikey_connectivity": "YIHGTVGPQNMBCK",
   "smiles": "O=C(NCCOC1OC(CO)C(O)C(O)C1O)c1ccc(-n2cc[n+](-c3ccc(C(=O)NCCOC4OC(CO)C(O)C(O)C4O)cc3)c2)cc1",
   "targets": [
    "UNP:P02866"
   ]
  },
  {
   "line": 7140,
   "comp_id": "A1ACC",
   "ikey_connectivity": "BOYDRCLOWAYCQF",
   "smiles": "N#Cc1cnn2c(Nc3ccc4c(c3)CC(=O)N4)cc(Cl)nc12",
   "targets": [
    "UNP:P41182"
   ]
  },
  {
   "line": 4189,
   "comp_id": "6D4",
   "ikey_connectivity": "VMVULOLZRIEVIA",
   "smiles": "NNNCCN(CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q9WVG6"
   ]
  },
  {
   "line": 27714,
   "comp_id": "ZUF",
   "ikey_connectivity": "XIMLXPRKZACEAD",
   "smiles": "Clc1ccc(Nc2nc(-c3ccccn3)cs2)nc1",
   "targets": [
    "UNP:P9WMC1"
   ]
  },
  {
   "line": 12408,
   "comp_id": "CKY",
   "ikey_connectivity": "PKXSVHQEPFONSZ",
   "smiles": "CC1CNCC(CCc2c(F)cccc2NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)N1S(=O)(=O)c1ccccc1",
   "targets": [
    "UNP:P04587"
   ]
  },
  {
   "line": 21648,
   "comp_id": "QKK",
   "ikey_connectivity": "MDBJDQPFGYPCRJ",
   "smiles": "N=C(N)NNC(=O)Nc1c(F)cc(S(=O)(=O)Nc2scnc2C(=O)O)cc1F",
   "targets": [
    "UNP:Q9K2N0"
   ]
  },
  {
   "line": 23661,
   "comp_id": "TNK",
   "ikey_connectivity": "KSAAUHMSLCPIEX",
   "smiles": "CC(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O",
   "targets": [
    "UNP:P04585"
   ]
  },
  {
   "line": 27636,
   "comp_id": "ZP7",
   "ikey_connectivity": "QHZLMUACJMDIAE",
   "smiles": "CCCCCCCCCCCCCCCC(=O)OCC(O)CO",
   "targets": [
    "UNP:A0A1H3JYQ0",
    "UNP:A0A1H3KVX9",
    "UNP:A0A1H3PUB4",
    "UNP:A0A1H3PUN8",
    "UNP:A0A1H3PUR7",
    "UNP:O14494",
    "UNP:P29016",
    "UNP:P29017",
    "UNP:P61769"
   ]
  },
  {
   "line": 9936,
   "comp_id": "A1IOZ",
   "ikey_connectivity": "FXPPOWIXSPMXLU",
   "smiles": "Cn1c(=O)c2c(ncn2C2CN(C(=O)c3cccc(CN)c3)CC(O)CC2(C)O)n(C)c1=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 13055,
   "comp_id": "DNY",
   "ikey_connectivity": "MNARMTUGWVPRGA",
   "smiles": "O=C(O)c1ccnc2cc(C(OCCCN3CCCCC3)c3ccccc3Cl)[nH]c12",
   "targets": [
    "UNP:P29375"
   ]
  },
  {
   "line": 8780,
   "comp_id": "A1CZ3",
   "ikey_connectivity": "JZWHUUDQWPHFDT",
   "smiles": "CNC(=O)c1cnc(Nc2cc(N)nc(C3CC3)n2)cc1NC(C)C",
   "targets": [
    "UNP:A0A0U2N547"
   ]
  },
  {
   "line": 19614,
   "comp_id": "NG4",
   "ikey_connectivity": "PRPRGSSTKWEYGS",
   "smiles": "CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc(C(O)CO)cc1",
   "targets": [
    "UNP:P12497"
   ]
  },
  {
   "line": 15498,
   "comp_id": "H74",
   "ikey_connectivity": "GFSKHNOSSPZNTP",
   "smiles": "C=CC(=O)Nc1cccc(C(OCCN2CCCCC2)c2cc3nccc(C(=O)O)c3s2)c1",
   "targets": [
    "UNP:P29375"
   ]
  },
  {
   "line": 2883,
   "comp_id": "4IO",
   "ikey_connectivity": "LXKXHISGOOZAGB",
   "smiles": "O=C(Oc1cncc(Cl)c1)c1ccc2c(ccn2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1",
   "targets": [
    "UNP:P0C6U8"
   ]
  },
  {
   "line": 26945,
   "comp_id": "YHS",
   "ikey_connectivity": "PYDRHRMQZGFNTG",
   "smiles": "Cc1cc(C)cc(-c2onc3ccc(-c4nnn[nH]4)cc23)c1",
   "targets": [
    "UNP:Q8NFU5"
   ]
  },
  {
   "line": 25295,
   "comp_id": "W88",
   "ikey_connectivity": "DCZIJZIECAAXJK",
   "smiles": "O=C(O)c1ccc2cc(CCCCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1",
   "targets": [
    "UNP:Q4D3W2"
   ]
  },
  {
   "line": 20181,
   "comp_id": "OBH",
   "ikey_connectivity": "BDNHEHZCMDJALX",
   "smiles": "O=S(=O)(OC1C=CCC=C1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 3468,
   "comp_id": "5DJ",
   "ikey_connectivity": "CKNFKDYCAQZYBQ",
   "smiles": "Oc1ccc(C(=Cc2ccccc2)c2ccc(O)cc2)cc1",
   "targets": [
    "UNP:P03372",
    "UNP:Q15596"
   ]
  },
  {
   "line": 6228,
   "comp_id": "94N",
   "ikey_connectivity": "SSIZLKDLDKIHEV",
   "smiles": "Oc1c(Br)cccc1Br",
   "targets": [
    "UNP:Q9NAV7",
    "UNP:W6EQP0"
   ]
  },
  {
   "line": 18932,
   "comp_id": "M98",
   "ikey_connectivity": "SPOLCPORTSDTGD",
   "smiles": "[O-][n+]1cccc(CC(c2ccc(OC(F)F)c(OC3CC3)c2)c2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)c1",
   "targets": [
    "UNP:Q08499"
   ]
  },
  {
   "line": 12329,
   "comp_id": "CGK",
   "ikey_connectivity": "DLPJYEOHCQEPAR",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3SC(O)(CCC(=O)O)OC3C2O)C(O)C1O",
   "targets": [
    "UNP:P68431",
    "UNP:Q9NXA8"
   ]
  },
  {
   "line": 26939,
   "comp_id": "YHK",
   "ikey_connectivity": "FJCZQSQASCNEEZ",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC2CC2)C(O)C1O",
   "targets": [
    "UNP:J9VFT1",
    "UNP:Q8NJN3"
   ]
  },
  {
   "line": 13552,
   "comp_id": "ECK",
   "ikey_connectivity": "MDQUOZBEMDXUCO",
   "smiles": "CC(C)CCCC(CCCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C",
   "targets": [
    "UNP:P51449"
   ]
  },
  {
   "line": 913,
   "comp_id": "1HK",
   "ikey_connectivity": "FOIYWUMLZWSWIQ",
   "smiles": "COc1cc(CCc2[nH]nc3c2Cc2ccccc2-3)ccc1O",
   "targets": [
    "UNP:O14757"
   ]
  },
  {
   "line": 7448,
   "comp_id": "A1AR6",
   "ikey_connectivity": "MLNFOXDPMDRARB",
   "smiles": "CC(C)(C)C(NC(=O)C(F)(F)F)C(=O)N1CC2(CCCCC2)CC1C(=O)NC(CN)CC1CCNC1=O",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 27770,
   "comp_id": "ZY3",
   "ikey_connectivity": "JAQQVYMOVUUAHB",
   "smiles": "CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)CNCc2cccc(OC)c2)cc2c1CCCS(=O)(=O)N2C",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 26542,
   "comp_id": "Y0K",
   "ikey_connectivity": "IFXXYODLELYUIJ",
   "smiles": "NS(=O)(=O)c1ccc(C(=O)N2CC3CN(C(=O)c4cnc(OC5CCOCC5)c(C5CC5)c4)CC3C2)nc1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 27223,
   "comp_id": "YSU",
   "ikey_connectivity": "WEMPOZWVESAOCV",
   "smiles": "NC(Cc1ccc(O)cc1)C(=O)NS(=O)(=O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O",
   "targets": [
    "UNP:P0AGJ9"
   ]
  },
  {
   "line": 15262,
   "comp_id": "GV6",
   "ikey_connectivity": "ACZWYNUJBRLCEC",
   "smiles": "CCC(C)C(N)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:P09436",
    "UNP:P56456"
   ]
  },
  {
   "line": 9888,
   "comp_id": "A1IN5",
   "ikey_connectivity": "LGIBIJZRDLLUMG",
   "smiles": "COc1cc2cc(OC)c1OCC=CCCOC(=O)C1CCCCN1C(=O)C2C1CCCCC1",
   "targets": [
    "UNP:Q13451"
   ]
  },
  {
   "line": 15335,
   "comp_id": "GZT",
   "ikey_connectivity": "AUOUHYVJJFEJOE",
   "smiles": "CNC(=O)c1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O",
   "targets": [
    "UNP:Q16658"
   ]
  },
  {
   "line": 8090,
   "comp_id": "A1BPY",
   "ikey_connectivity": "CSGCLFRVJTXKQJ",
   "smiles": "Cn1ncc(-c2cc(Cl)cc(Cl)c2)c1CC(=O)N1CCCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 21154,
   "comp_id": "PV3",
   "ikey_connectivity": "YRYYIHISROZCQD",
   "smiles": "Clc1cccc(COc2ccccc2CNCc2ccncc2)c1",
   "targets": [
    "UNP:P9WFK7"
   ]
  },
  {
   "line": 12058,
   "comp_id": "C0Z",
   "ikey_connectivity": "DBFTVRMJVISJEX",
   "smiles": "CN(C)C1CCc2cc(N3CCC(NS(=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O)ccc21",
   "targets": [
    "UNP:P00742"
   ]
  },
  {
   "line": 13036,
   "comp_id": "DME",
   "ikey_connectivity": "MTCUAOILFDZKCO",
   "smiles": "C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C",
   "targets": [
    "UNP:P06276"
   ]
  },
  {
   "line": 171,
   "comp_id": "0BI",
   "ikey_connectivity": "GCZHKZTYTMTFGU",
   "smiles": "COCc1cc2cc(c1)C(=O)NC(C(O)CNC1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2",
   "targets": [
    "UNP:P56817"
   ]
  },
  {
   "line": 8651,
   "comp_id": "A1CQ2",
   "ikey_connectivity": "HYVDIXYPGCIEBX",
   "smiles": "CCC(=O)N1CCN(c2ncnc3cc(-c4nc(N)ccc4C(F)(F)F)c(Cl)cc23)CC1",
   "targets": [
    "UNP:P01116"
   ]
  },
  {
   "line": 11665,
   "comp_id": "BDH",
   "ikey_connectivity": "KABYBYFUSGXITA",
   "smiles": "NC(CC(=O)NC(Cc1cnc[nH]1)C(=O)O)C(=O)O",
   "targets": [
    "UNP:P39377"
   ]
  },
  {
   "line": 1208,
   "comp_id": "1WK",
   "ikey_connectivity": "VKQAJTKFJIETGO",
   "smiles": "CNc1nc2c(CCC3OC(OC)C(O)C3O)c3nc(N)[nH]c(=O)c3cc2[nH]1",
   "targets": [
    "UNP:P28720"
   ]
  },
  {
   "line": 648,
   "comp_id": "13N",
   "ikey_connectivity": "POTAVWZRFSZHOW",
   "smiles": "O=C1NCCC=CCCCC(C(=O)NCc2ccccc2)C(=O)Cc2c(Cl)c(O)cc(O)c21",
   "targets": [
    "UNP:P02829"
   ]
  },
  {
   "line": 7397,
   "comp_id": "A1AON",
   "ikey_connectivity": "DEXPLCIUOWIUDC",
   "smiles": "OC(COc1ccc(Cl)c(Cl)c1)CN1CCC(Nc2nccc(C(F)(F)F)n2)CC1",
   "targets": [
    "UNP:P31224"
   ]
  },
  {
   "line": 18058,
   "comp_id": "KXK",
   "ikey_connectivity": "DDRHNLQKGDBMGK",
   "smiles": "COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 750,
   "comp_id": "19A",
   "ikey_connectivity": "OPBUUQBZKJSWTN",
   "smiles": "CN(C)C(=O)c1cc(-c2n[nH]cc2-c2ccccc2)c[nH]1",
   "targets": [
    "UNP:P28482"
   ]
  },
  {
   "line": 6908,
   "comp_id": "A1A02",
   "ikey_connectivity": "UHALWXUZDPMFAG",
   "smiles": "CC1CCC(=O)N1Nc1ncnc2[nH]c3cc(F)ccc3c12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 12574,
   "comp_id": "CVF",
   "ikey_connectivity": "OGVOCGQIMXHGHF",
   "smiles": "CC(=O)NCCc1ccc(-c2cccc(C(=O)O)c2)cc1",
   "targets": [
    "UNP:Q6XEC0"
   ]
  },
  {
   "line": 23803,
   "comp_id": "TWN",
   "ikey_connectivity": "TWHGDIVTXKNMOZ",
   "smiles": "CCCCCCCCCCCC(=O)OCCC(C)C1OCC(C)C1C",
   "targets": [
    "UNP:P00749"
   ]
  },
  {
   "line": 23754,
   "comp_id": "TTU",
   "ikey_connectivity": "ZNNUGLAKMQMSSA",
   "smiles": "CCN1CCC(Oc2ccc(C3c4ccc(O)cc4CC4(CC4)N3C(=O)c3ccccc3)cc2)C1",
   "targets": [
    "UNP:P03372"
   ]
  },
  {
   "line": 18525,
   "comp_id": "LLS",
   "ikey_connectivity": "VIQXILLOJLATEF",
   "smiles": "Cc1nn(-c2nc3c(Cl)c(Cl)ccc3[nH]2)c(O)c1C1OC(=O)c2ccccc21",
   "targets": [
    "UNP:Q8N884"
   ]
  },
  {
   "line": 26620,
   "comp_id": "Y3U",
   "ikey_connectivity": "JZICRHJSYJTEMP",
   "smiles": "Cn1c(=O)ccn(C2OC(COS(=O)(=O)NC(=O)C(N)Cc3ccc(O)cc3)C(O)C2O)c1=O",
   "targets": [
    "UNP:P0AGJ9"
   ]
  },
  {
   "line": 10855,
   "comp_id": "A1MAM",
   "ikey_connectivity": "MMBYKFKDCXWASK",
   "smiles": "CC(=O)N1CCN(S(=O)(=O)C(C)C)CC1C(=O)Nc1cc(-c2cnc(OC(C)C)c(C#N)c2)n(C(F)(F)F)n1",
   "targets": [
    "UNP:P51449",
    "UNP:Q15788"
   ]
  },
  {
   "line": 17479,
   "comp_id": "K40",
   "ikey_connectivity": "VJUGVVOGVWAGRV",
   "smiles": "O=C1NCCc2c1[nH]c1c(Cl)ccc(Cl)c21",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 10300,
   "comp_id": "A1JGK",
   "ikey_connectivity": "LVJKCNKRPTXXRR",
   "smiles": "O=C1CC(C(=O)NCCc2csc3ccccc23)c2ccc(F)cc2N1",
   "targets": [
    "UNP:P0DTC1"
   ]
  },
  {
   "line": 26090,
   "comp_id": "XDU",
   "ikey_connectivity": "MMOUYBCDJMEUFG",
   "smiles": "Oc1nc(C=Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 15037,
   "comp_id": "GIK",
   "ikey_connectivity": "VCIOFIORKGNIFB",
   "smiles": "CC(=O)NC1CCC(Oc2cc(-c3ccncc3Cl)cc3[nH]nc(C)c23)CC1",
   "targets": [
    "UNP:Q02750"
   ]
  },
  {
   "line": 6241,
   "comp_id": "95B",
   "ikey_connectivity": "KQPFLOCEYZIIRD",
   "smiles": "O=C(NCCCCC(NC(=O)c1cccc(O)c1O)C(=O)O)c1cccc(O)c1O",
   "targets": [
    "UNP:A0A857MR34",
    "UNP:A0AAN1D567",
    "UNP:Q0P8Q4"
   ]
  },
  {
   "line": 13048,
   "comp_id": "DND",
   "ikey_connectivity": "SENPVEZBRZQVST",
   "smiles": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC([n+]3cccc(C(=O)O)c3)C(O)C2O)C(O)C1O",
   "targets": [
    "UNP:A0A2P0HJA8",
    "UNP:C3L5T6",
    "UNP:O25096",
    "UNP:P08164",
    "UNP:P18843",
    "UNP:P23295",
    "UNP:P9WJJ3",
    "UNP:Q01234",
    "UNP:Q5HFG7",
    "UNP:Q8IE38",
    "UNP:Q96T66",
    "UNP:Q9HAN9"
   ]
  },
  {
   "line": 15546,
   "comp_id": "H93",
   "ikey_connectivity": "UTAIYTHAJQNQDW",
   "smiles": "Cn1c(N)nc2c(ncn2C2OC(CO)C(O)C2O)c1=O",
   "targets": [
    "UNP:Q94BU8"
   ]
  },
  {
   "line": 19085,
   "comp_id": "MK6",
   "ikey_connectivity": "CODQKEMYZZKQAE",
   "smiles": "Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2cc3c(cn2)C2C(C3)C2C(=O)O)c1",
   "targets": [
    "UNP:O14842",
    "UNP:P00720"
   ]
  },
  {
   "line": 21100,
   "comp_id": "PRM",
   "ikey_connectivity": "ZDWVWKDAWBGPDN",
   "smiles": "CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21",
   "targets": [
    "UNP:P21836"
   ]
  },
  {
   "line": 14978,
   "comp_id": "GFM",
   "ikey_connectivity": "MKPYQNARCBWQRN",
   "smiles": "CC(F)(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)CC1O",
   "targets": [
    "UNP:P06746"
   ]
  },
  {
   "line": 120,
   "comp_id": "08F",
   "ikey_connectivity": "CDTLONANIBXQJQ",
   "smiles": "CS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccnc(N)c2)c1",
   "targets": [
    "UNP:O92972"
   ]
  },
  {
   "line": 9175,
   "comp_id": "A1ENM",
   "ikey_connectivity": "QNYKHWXDBHIASO",
   "smiles": "Cc1cnn(Cc2ccc3c(c2C(=O)O)O[B-](O)(O)CO3)c1",
   "targets": [
    "UNP:Q5U7L7"
   ]
  },
  {
   "line": 15447,
   "comp_id": "H5E",
   "ikey_connectivity": "CFOGTQXOCWUQMT",
   "smiles": "CC(C)(C)c1csc(CN2C(=O)NC3(CC3)C2=O)n1",
   "targets": [
    "UNP:P35270"
   ]
  },
  {
   "line": 26297,
   "comp_id": "XO5",
   "ikey_connectivity": "BECGOHMCBYNLSS",
   "smiles": "Cc1c2cc(F)cc1NS(=O)(=O)CCCCCC1CN(CCN1C(=O)CC1CC1)C2",
   "targets": [
    "UNP:P51449"
   ]
  },
  {
   "line": 9760,
   "comp_id": "A1IG8",
   "ikey_connectivity": "",
   "smiles": "C[N]12->[Fe]34<-[O-]C(=O)C1CSC2C1CSC(c2ccccc2[O-]->3)=[N]->41",
   "targets": [
    "UNP:Q9I2J4"
   ]
  },
  {
   "line": 8192,
   "comp_id": "A1BTX",
   "ikey_connectivity": "SZSIFQHTAHJELX",
   "smiles": "N=C(Nc1cccc(CCNCc2cccc(NC(=N)c3cncs3)c2)c1)c1cncs1",
   "targets": [
    "UNP:P29474",
    "UNP:P29476"
   ]
  },
  {
   "line": 20104,
   "comp_id": "O82",
   "ikey_connectivity": "QBECHPJOWHCRPY",
   "smiles": "CNCc1ccc2c(c1)c1ccccc1n2CCF",
   "targets": [
    "UNP:P04637"
   ]
  },
  {
   "line": 21654,
   "comp_id": "QKT",
   "ikey_connectivity": "YUGZHQHSNYIFLG",
   "smiles": "O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1",
   "targets": [
    "UNP:Q9H7B4"
   ]
  },
  {
   "line": 26359,
   "comp_id": "XR0",
   "ikey_connectivity": "KMNIEMJCFHTJEC",
   "smiles": "Cc1nnn(Cc2cc(C(F)(F)F)ccc2CCC(=O)N2CCN(Cc3ccc(S(N)(=O)=O)cc3F)CC2)n1",
   "targets": [
    "UNP:Q64610"
   ]
  },
  {
   "line": 17764,
   "comp_id": "KIG",
   "ikey_connectivity": "SKWARGWQQAOVGT",
   "smiles": "NCCS(=O)(=O)NCC1OC(n2c(C#CCN(CC(=O)O)CC3OC(n4cnc5c(N)ncnc54)C(O)C3O)nc3c(N)ncnc32)C(O)C1O",
   "targets": [
    "UNP:Q8Y8D7"
   ]
  },
  {
   "line": 6301,
   "comp_id": "98A",
   "ikey_connectivity": "HKKJTAWWASVXFI",
   "smiles": "Cn1cc(-c2cc3c(N4CCN(c5ncccn5)CC4)ncnn3c2)cn1",
   "targets": [
    "UNP:P10721"
   ]
  },
  {
   "line": 21583,
   "comp_id": "QI2",
   "ikey_connectivity": "VNXRIINFDPLDNI",
   "smiles": "COC(CC(CCN(C)CCCc1ccc(F)c(C)c1)C(=O)NO)c1ccc(F)cc1",
   "targets": [
    "UNP:P0DPI1"
   ]
  },
  {
   "line": 25672,
   "comp_id": "WRX",
   "ikey_connectivity": "FCUDWGSHVIZNIL",
   "smiles": "O=C(NCc1cccnc1)C(Cc1ccc(F)cc1)NC(=O)C1CCCCN1S(=O)(=O)Cc1ccc(F)cc1",
   "targets": [
    "UNP:Q63J95"
   ]
  },
  {
   "line": 11454,
   "comp_id": "B1O",
   "ikey_connectivity": "GHTWTHJHQYRTGW",
   "smiles": "Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2F)c(C)n1",
   "targets": [
    "UNP:P37231",
    "UNP:Q9UBK2"
   ]
  },
  {
   "line": 5491,
   "comp_id": "83L",
   "ikey_connectivity": "",
   "smiles": "C1=Cc2c(-c3ccccc3)c3ccc4nc5[n]6->[Fe]7(<-[n]2c1nc1ccc(c(-c2ccccc2)c6C=C5)[n-]->71)<-[n-]43",
   "targets": [
    "UNP:G3XD33"
   ]
  },
  {
   "line": 25297,
   "comp_id": "W8H",
   "ikey_connectivity": "HVFVCYLTDOVLAM",
   "smiles": "Cc1ccc(SC(CCCCSc2ccc(Cl)cc2)C(=O)O)cc1",
   "targets": [
    "UNP:P15090"
   ]
  },
  {
   "line": 25214,
   "comp_id": "W2Z",
   "ikey_connectivity": "WFTNBEBSRJTXNN",
   "smiles": "CCS(=O)(=O)N1CCC2(CCC(C3c4ccccc4-c4cncn43)C2O)CC1",
   "targets": [
    "UNP:P14902"
   ]
  },
  {
   "line": 12878,
   "comp_id": "DBG",
   "ikey_connectivity": "MXYGEAAJPIMEHV",
   "smiles": "Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)NP(=O)(O)Nc3ccc(C(=O)c4ccccc4)cc3N)C(O)C2O)c(=O)[nH]1",
   "targets": [
    "UNP:P01112"
   ]
  },
  {
   "line": 16763,
   "comp_id": "J4I",
   "ikey_connectivity": "WCDJVYBGDYQGOC",
   "smiles": "COc1c(C)nc(CSc2nc3cc4c(cc3[nH]2)OCO4)c(C)c1C",
   "targets": [
    "UNP:Q9Y233"
   ]
  },
  {
   "line": 21750,
   "comp_id": "QPX",
   "ikey_connectivity": "CXHYRAPCOSLYMC",
   "smiles": "O=C(NC1c2cccc(O)c2CC1C(=O)O)c1ccc2[nH]c(CO)nc2c1",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 5770,
   "comp_id": "8IU",
   "ikey_connectivity": "XKBSPAZCFAIBJL",
   "smiles": "CN(C)C1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1",
   "targets": [
    "UNP:P0ABE7",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096",
    "UNP:Q96LB1"
   ]
  },
  {
   "line": 15919,
   "comp_id": "HX0",
   "ikey_connectivity": "CHYBTAZWINMGHA",
   "smiles": "CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC",
   "targets": [
    "UNP:P0A334"
   ]
  },
  {
   "line": 14773,
   "comp_id": "G5U",
   "ikey_connectivity": "GCPRIPZOIVSIDT",
   "smiles": "CCC(=O)Nc1nc(NC2CCN(C(C)C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1",
   "targets": [
    "UNP:Q96KQ7"
   ]
  },
  {
   "line": 19129,
   "comp_id": "MNX",
   "ikey_connectivity": "ZOHCDJRFYXKEQW",
   "smiles": "O=c1c2c(O)cccc2oc2c([N+](=O)[O-])ccc(O)c12",
   "targets": [
    "UNP:P28523"
   ]
  },
  {
   "line": 18867,
   "comp_id": "M67",
   "ikey_connectivity": "YEOMROVWVBLQCS",
   "smiles": "CCCNC(=O)CNC(C(=O)N1CCC1C(=O)NCc1ccc(C(=N)N)cc1)C1CCCCC1",
   "targets": [
    "UNP:P00734",
    "UNP:P01050"
   ]
  },
  {
   "line": 20824,
   "comp_id": "P9O",
   "ikey_connectivity": "MLMSDXNATONIOS",
   "smiles": "O=C(Nc1cncc2c1CNCC2)C1CCOc2ccc(Cl)cc21",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 9811,
   "comp_id": "A1IJO",
   "ikey_connectivity": "WMYXGENPWOLFCF",
   "smiles": "COc1ccc(-n2cc(C(=O)O)c(=O)n(Cc3cccc(C(F)(F)F)c3C)c2=O)cc1",
   "targets": [
    "UNP:P23946"
   ]
  },
  {
   "line": 14350,
   "comp_id": "FJL",
   "ikey_connectivity": "HLDYLAJAWSKPFZ",
   "smiles": "CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1",
   "targets": [
    "UNP:A0A5A4WN00"
   ]
  },
  {
   "line": 7676,
   "comp_id": "A1B3X",
   "ikey_connectivity": "NNSQUXOVPSSSEM",
   "smiles": "CC(=O)N1c2ccccc2CC1C(=O)N1CCCC(C(N)=O)C1",
   "targets": [
    "UNP:Q65900"
   ]
  },
  {
   "line": 13954,
   "comp_id": "EXW",
   "ikey_connectivity": "WCSSNSDHTDBDFK",
   "smiles": "C=C(C)C1CCC2(C)CC(F)=C(C)CCC=C(C)CCC12",
   "targets": [
    "UNP:C9K1X5"
   ]
  },
  {
   "line": 7024,
   "comp_id": "A1A5X",
   "ikey_connectivity": "SCFBWFQAEKZLRA",
   "smiles": "CC(C)n1nnnc1SCc1c(C(=O)O)sc2cccc(F)c12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 17900,
   "comp_id": "KPW",
   "ikey_connectivity": "MOQLTEFWRJQFEZ",
   "smiles": "Cc1cccc(-c2nn3c(c2-c2ccnc(Nc4ccc(S(N)(=O)=O)cc4)c2)CC(C)(C)C3)n1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 5607,
   "comp_id": "89B",
   "ikey_connectivity": "RXCWWLZLSPDOKP",
   "smiles": "O=C(NC(Cc1ccc(F)cc1)C(=O)NC(CC1CCCNC1=O)C(O)C(=O)NCc1ccccc1)c1cc2ccccc2o1",
   "targets": [
    "UNP:P07711"
   ]
  },
  {
   "line": 5979,
   "comp_id": "8SW",
   "ikey_connectivity": "XJMZSRWAQFOMTB",
   "smiles": "C#CCNC(=O)C(CNC(=O)C(CNC(=O)CNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O",
   "targets": [
    "UNP:Q9I0F2"
   ]
  },
  {
   "line": 15409,
   "comp_id": "H3I",
   "ikey_connectivity": "OORXHLVXCSLOBF",
   "smiles": "Nc1ncnc2c1ncn2C1OC(CN(CCC(N)C(=O)O)C(=O)Nc2ncnc3nc[nH]c23)C(O)C1O",
   "targets": [
    "UNP:Q86U44",
    "UNP:Q9HCE5"
   ]
  },
  {
   "line": 13616,
   "comp_id": "EFO",
   "ikey_connectivity": "MNULEGDCPYONBU",
   "smiles": "CCC1C=CC=CCC(C)C(O)C(C)(O)C(=O)C(C)C(O)C(C)C(=O)C(C)C(O)C(C)C=CC(=O)OC2C(C)C(CC1)OC1(CCC(C)C(CC(C)O)O1)C2C",
   "targets": [
    "UNP:P61829"
   ]
  },
  {
   "line": 24683,
   "comp_id": "V8K",
   "ikey_connectivity": "RELQHJGBFDNPMD",
   "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CCCC(C)CCOP(=O)(O)O",
   "targets": [
    "UNP:P33767",
    "UNP:P39007",
    "UNP:P41543",
    "UNP:P46964",
    "UNP:Q02795",
    "UNP:Q03723",
    "UNP:Q92316",
    "UNP:Q99380"
   ]
  },
  {
   "line": 19318,
   "comp_id": "MZR",
   "ikey_connectivity": "HZQDCMWJEBCWBR",
   "smiles": "NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O",
   "targets": [
    "UNP:Q2SZE4"
   ]
  },
  {
   "line": 12904,
   "comp_id": "DD6",
   "ikey_connectivity": "OGHZCSINIMWCSB",
   "smiles": "CC(C#CC1=C(C)CC(O)CC1(C)C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C",
   "targets": [
    "UNP:A0A075DWU3",
    "UNP:A0A0A0N2P0",
    "UNP:A0A0A0N2S9",
    "UNP:A0A0D3IGB8",
    "UNP:A0A0D3IMI1",
    "UNP:A0A0D3JQR4",
    "UNP:A0A0D3JRC1",
    "UNP:A0A0D3KKH7",
    "UNP:A0A1E7F4Y9",
    "UNP:A0A1Q9C7L6",
    "UNP:A0A1Q9CHC6",
    "UNP:A0A1Q9D570",
    "UNP:A0A1Q9DN41",
    "UNP:A0A1Q9DPP2",
    "UNP:A0A1Q9E4I4",
    "UNP:A0A222AI28",
    "UNP:A0A3S6R2W1",
    "UNP:A0A679BVT0",
    "UNP:A0A679BVT2",
    "UNP:A0A679BVT8",
    "UNP:A0A679BVV7",
    "UNP:A0A679BWI3",
    "UNP:A0A679BXP6",
    "UNP:A0A679C012",
    "UNP:A0A679C209",
    "UNP:A0A679C215",
    "UNP:A0A679C261",
    "UNP:A0A679C262",
    "UNP:A0A679C298",
    "UNP:A0A679C2A0",
    "UNP:A0A679C6E3",
    "UNP:A0A679C6E6",
    "UNP:A0A679C6E8",
    "UNP:A0A6J4B024",
    "UNP:A0A6J4B037",
    "UNP:A0A6J4B0A4",
    "UNP:A0A6J4B0E7",
    "UNP:A0A6J4B0N3",
    "UNP:A0A6J4B0S3",
    "UNP:A0A6J4B109",
    "UNP:A0A6J4B112",
    "UNP:A0A6J4B118",
    "UNP:A0A6J4B125",
    "UNP:A0A6J4B150",
    "UNP:A0A6J4B2D5",
    "UNP:A0A6J4B2D8",
    "UNP:A0A6J4B3M5",
    "UNP:A0A6J4B492",
    "UNP:A0A6J4B499",
    "UNP:A0A6J4B7P2",
    "UNP:A0A6J4B7P8",
    "UNP:A0A6V2SE28",
    "UNP:A0A7D4X9R7",
    "UNP:A0A7D4X9U5",
    "UNP:A0A7D4X9X4",
    "UNP:A0A7D4X9Y3",
    "UNP:A0A7D4XG42",
    "UNP:A0A7D4XMT1",
    "UNP:A0A7D4XMU0",
    "UNP:A0A7D4XMW6",
    "UNP:A0A7D5B6G5",
    "UNP:A0A7S3HV91",
    "UNP:A0A7S3HZY8",
    "UNP:A0A7S3I2Z7",
    "UNP:A0A7S3I3B1",
    "UNP:A0A7S3I4E9",
    "UNP:A0A7S3I921",
    "UNP:A0A7S3IA89",
    "UNP:A0A7S3MPR6",
    "UNP:A0A7S3RBL6",
    "UNP:A0A7S3TFW5",
    "UNP:A0A7S3TG01",
    "UNP:A0A7S3TVW9",
    "UNP:A0A7S3TWX6",
    "UNP:A0A7S3TXG5",
    "UNP:A0A7S3TXN3",
    "UNP:A0A7S3U1X8",
    "UNP:A0A7S3VX05",
    "UNP:A0A7S3VXI4",
    "UNP:A0A7S3WIW7",
    "UNP:A0A7S3WZA0",
    "UNP:A0A7S3X4W4",
    "UNP:A0A7S3X591",
    "UNP:A0A7S3X675",
    "UNP:A0A7S4BJL5",
    "UNP:A0A7S4BZA9",
    "UNP:A0A7S4C3N2",
    "UNP:A0A812HQ19",
    "UNP:A0A812KHS8",
    "UNP:A0A812LLR4",
    "UNP:A0A812M556",
    "UNP:A0A812RE54",
    "UNP:A0A812SJF1",
    "UNP:A0A813AL89",
    "UNP:A0A835YIY2",
    "UNP:A0A835YRG9",
    "UNP:A0A835Z019",
    "UNP:A0A835Z4D2",
    "UNP:A0A835Z6M5",
    "UNP:A0A835Z6T4",
    "UNP:A0A836C871",
    "UNP:A0A836CBA1",
    "UNP:A0A836CGA6",
    "UNP:A0A836CK85",
    "UNP:A0A836CLY0",
    "UNP:A0A8F0WFC9",
    "UNP:A0A8F5GGT9",
    "UNP:A0AA36HPY7",
    "UNP:A0AA36HTH0",
    "UNP:A0AA36I308",
    "UNP:A0AA36I3A4",
    "UNP:A0AA36INE2",
    "UNP:A0AA36INW6",
    "UNP:A0AA36J0D5",
    "UNP:A0AA36J2Y9",
    "UNP:A0AA36JF81",
    "UNP:A0AA36JI10",
    "UNP:A0AA36JNS8",
    "UNP:A0AA36MQP1",
    "UNP:A0AA36MZ23",
    "UNP:A0AA36N211",
    "UNP:A0AA36N262",
    "UNP:A0AA36N2P9",
    "UNP:A0AA36N3P6",
    "UNP:A0AA36N4B2",
    "UNP:A0AA36N6D6",
    "UNP:A0AA36NBE3",
    "UNP:A0AA36NGX7",
    "UNP:A0AAD3CWA0",
    "UNP:A0ABD3PA03",
    "UNP:A0ABD3PB22",
    "UNP:A0ABD3Q2Q7",
    "UNP:A0ABD3QR39",
    "UNP:A0ABD3QUK6",
    "UNP:A0ABF7PQ86",
    "UNP:A0ACM8DFW4",
    "UNP:A0ACM8DFW5",
    "UNP:A0ACM8DFW6",
    "UNP:A0ACM8DFW7",
    "UNP:A0T0F3",
    "UNP:A0T0M8",
    "UNP:A0T0M9",
    "UNP:A0T0N2",
    "UNP:A0T0N4",
    "UNP:A0T0P5",
    "UNP:A0T0P6",
    "UNP:A0T0P8",
    "UNP:A0T0S1",
    "UNP:A0T0S8",
    "UNP:A0T0S9",
    "UNP:A0T0T0",
    "UNP:A0T0T1",
    "UNP:A0T0T2",
    "UNP:A0T0T3",
    "UNP:A0T0T5",
    "UNP:A0T0T9",
    "UNP:A0T0U0",
    "UNP:A0T0U1",
    "UNP:A0T0U2",
    "UNP:A0T0U5",
    "UNP:A0T0U9",
    "UNP:A0T0V0",
    "UNP:A0T0V1",
    "UNP:A0T0V3",
    "UNP:A0T0W2",
    "UNP:A0T0W4",
    "UNP:A4GGC6",
    "UNP:A4QPH9",
    "UNP:A5Z2K3",
    "UNP:A8HPC6",
    "UNP:A8HPD0",
    "UNP:A8HPD3",
    "UNP:A8HPD7",
    "UNP:A8HPE4",
    "UNP:A8HPH1",
    "UNP:B5YLU3",
    "UNP:B5YM25",
    "UNP:B6ZHE8",
    "UNP:B6ZHE9",
    "UNP:B6ZHF0",
    "UNP:B6ZHF2",
    "UNP:B6ZHF4",
    "UNP:B7FRW2",
    "UNP:B7T217",
    "UNP:B7XBY7",
    "UNP:B8BRQ8",
    "UNP:B8BSY9",
    "UNP:B8BU33",
    "UNP:B8BUU4",
    "UNP:B8BUW3",
    "UNP:B8BVI1",
    "UNP:B8BVI4",
    "UNP:B8BX92",
    "UNP:B8BX93",
    "UNP:B8BYH2",
    "UNP:B8BYV4",
    "UNP:B8C0K3",
    "UNP:B8C0K4",
    "UNP:B8C2K6",
    "UNP:B8C2Y4",
    "UNP:B8C4I5",
    "UNP:B8C770",
    "UNP:B8C8Q0",
    "UNP:B8C8Y3",
    "UNP:B8CC14",
    "UNP:B8CEQ3",
    "UNP:B8CEV5",
    "UNP:B8LE60",
    "UNP:B8LE61",
    "UNP:B8LEQ8",
    "UNP:B8LEV1",
    "UNP:D1J7A3",
    "UNP:D1J7A4",
    "UNP:D1J7A8",
    "UNP:D1J7A9",
    "UNP:D1J7C4",
    "UNP:D9MYJ9",
    "UNP:E1C9K6",
    "UNP:P10793",
    "UNP:P12355",
    "UNP:P17227",
    "UNP:P19430",
    "UNP:P19431",
    "UNP:P30394",
    "UNP:P31479",
    "UNP:P31556",
    "UNP:P49471",
    "UNP:P49472",
    "UNP:P49481",
    "UNP:P49516",
    "UNP:P58309",
    "UNP:P58383",
    "UNP:Q09MJ5",
    "UNP:Q0P3P1",
    "UNP:Q2IA65",
    "UNP:Q2IA66",
    "UNP:Q2IA67",
    "UNP:Q2IA72",
    "UNP:Q38688",
    "UNP:Q38689",
    "UNP:Q39725",
    "UNP:Q4G369",
    "UNP:Q4G371",
    "UNP:Q4G373",
    "UNP:Q4G380",
    "UNP:Q4G381",
    "UNP:Q4G395",
    "UNP:Q4G3B5",
    "UNP:Q4G3B8",
    "UNP:Q4G3B9",
    "UNP:Q4G3C1",
    "UNP:Q4G3C5",
    "UNP:Q4G3F5",
    "UNP:Q4G3F6",
    "UNP:Q85G73",
    "UNP:R1B3D6",
    "UNP:R1BKA6",
    "UNP:R1BTM8",
    "UNP:R1CGG7",
    "UNP:R1CMT6",
    "UNP:R1CV07",
    "UNP:R1D5F1",
    "UNP:R1DAV6",
    "UNP:R1DCN2",
    "UNP:R1DEA6",
    "UNP:R1DLA7",
    "UNP:R1DMQ2",
    "UNP:R1DNR0",
    "UNP:R1DWS2",
    "UNP:R1DY94",
    "UNP:R1EB65",
    "UNP:R1ED82",
    "UNP:R1EIA6",
    "UNP:R1ESZ0",
    "UNP:R1EZZ6",
    "UNP:R1FED1",
    "UNP:R1FP66"
   ]
  },
  {
   "line": 9451,
   "comp_id": "A1H6N",
   "ikey_connectivity": "FTEDXVNDVHYDQW",
   "smiles": "O=C(O)CN(CC(=O)O)c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)O",
   "targets": [
    "UNP:P0ACD8",
    "UNP:P69739"
   ]
  },
  {
   "line": 5646,
   "comp_id": "8C9",
   "ikey_connectivity": "IDKWEPILMVJEEL",
   "smiles": "C=C1C(O)CC(=CC=C2CCCC3(C)C2CCC3C(C)C(CCCC)CCC(=O)c2ccc(O)cc2)CC1O",
   "targets": [
    "UNP:P13053",
    "UNP:Q15596"
   ]
  },
  {
   "line": 8698,
   "comp_id": "A1CSM",
   "ikey_connectivity": "SKEKAYOZPPVXHH",
   "smiles": "COc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C(C)C(F)(F)F)c(N)c2C(N)=O)cc1",
   "targets": [
    "UNP:Q06187"
   ]
  },
  {
   "line": 26230,
   "comp_id": "XKQ",
   "ikey_connectivity": "WQJQYHZGBBCHOT",
   "smiles": "CNC(=O)C(O)C(CCC(C)(F)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 24876,
   "comp_id": "VHS",
   "ikey_connectivity": "KTEIFNKAUNYNJU",
   "smiles": "CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl",
   "targets": [
    "UNP:P36639"
   ]
  },
  {
   "line": 7159,
   "comp_id": "A1AD1",
   "ikey_connectivity": "NBQLAWNYPHEUQJ",
   "smiles": "c1ccc2c(-c3ccc4c(c3)nnn4CC3CCNCC3)c[nH]c2c1",
   "targets": [
    "UNP:P48775"
   ]
  },
  {
   "line": 8971,
   "comp_id": "A1E5A",
   "ikey_connectivity": "CUNCXCTTWGBCLJ",
   "smiles": "Cc1cc2[nH]c(=O)c(N)c(-c3ccc(F)c4n[nH]cc34)c2c(Cl)n1",
   "targets": [
    "UNP:Q99640"
   ]
  },
  {
   "line": 22017,
   "comp_id": "R2W",
   "ikey_connectivity": "UMQUYWSKTBKPEH",
   "smiles": "NS(=O)(=O)c1ccc(NC(=S)NCCCOc2ccccc2)cc1",
   "targets": [
    "UNP:P00918"
   ]
  },
  {
   "line": 7961,
   "comp_id": "A1BKC",
   "ikey_connectivity": "YQNFICZZYFQQBS",
   "smiles": "O=C1CC2CCCC(CN1)N2c1ncnc2[nH]c(Cl)cc12",
   "targets": [
    "UNP:P0DTD1"
   ]
  },
  {
   "line": 20159,
   "comp_id": "OAK",
   "ikey_connectivity": "SPYSOSUFGSNSMY",
   "smiles": "O=C(NC1OC(CO)C(O)C(O)C1O)c1ccccc1",
   "targets": [
    "UNP:P00489"
   ]
  },
  {
   "line": 14456,
   "comp_id": "FP7",
   "ikey_connectivity": "GYFSAKAXGZYFTD",
   "smiles": "Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C(C)O)cc2)c1",
   "targets": [
    "UNP:O60885"
   ]
  },
  {
   "line": 12484,
   "comp_id": "CPL",
   "ikey_connectivity": "JLPULHDHAOZNQI",
   "smiles": "CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C",
   "targets": [
    "UNP:A0A1D8NEL0",
    "UNP:A0A1D8NFX6",
    "UNP:A0A1D8NGI5",
    "UNP:A0A1H6Q311",
    "UNP:A3RL54",
    "UNP:B5FVD3",
    "UNP:B5FVE5",
    "UNP:B5FVF3",
    "UNP:B5FVF8",
    "UNP:B5FVG1",
    "UNP:B5RSK3",
    "UNP:B5RSK9",
    "UNP:B5RSL7",
    "UNP:F2Z619",
    "UNP:F2Z626",
    "UNP:F2Z660",
    "UNP:F2Z673",
    "UNP:F2Z6C0",
    "UNP:F2Z6D7",
    "UNP:F2Z6F1",
    "UNP:O43688",
    "UNP:P14336",
    "UNP:P17792",
    "UNP:P29837",
    "UNP:P29973",
    "UNP:P31382",
    "UNP:P33767",
    "UNP:P33775",
    "UNP:P39007",
    "UNP:P41543",
    "UNP:P46964",
    "UNP:P46971",
    "UNP:P47001",
    "UNP:P48439",
    "UNP:Q02795",
    "UNP:Q03611",
    "UNP:Q0Z852",
    "UNP:Q13507",
    "UNP:Q6C1R9",
    "UNP:Q6C2Q1",
    "UNP:Q6C4A6",
    "UNP:Q6C4W9",
    "UNP:Q6C674",
    "UNP:Q6C7L6",
    "UNP:Q6C7X2",
    "UNP:Q6C7X4",
    "UNP:Q6C8J9",
    "UNP:Q6C926",
    "UNP:Q6C9Z1",
    "UNP:Q6CA88",
    "UNP:Q6CD73",
    "UNP:Q6CEK9",
    "UNP:Q6CG31",
    "UNP:Q6CG53",
    "UNP:Q6CGB4",
    "UNP:Q6CI10",
    "UNP:Q6CI60",
    "UNP:Q8VBK7",
    "UNP:Q92316",
    "UNP:Q99380",
    "UNP:Q9B6C7",
    "UNP:Q9B6C8",
    "UNP:Q9B6D3",
    "UNP:Q9B6D4",
    "UNP:Q9B6D6",
    "UNP:Q9B6E8",
    "UNP:Q9B6E9",
    "UNP:Q9BSA4",
    "UNP:Q9C8G5",
    "UNP:Q9NA73",
    "UNP:Q9UBH6",
    "UNP:Q9XSM3"
   ]
  },
  {
   "line": 22764,
   "comp_id": "S5B",
   "ikey_connectivity": "OWUQUQCSBQATFQ",
   "smiles": "Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(C(=O)O)cnc2c1",
   "targets": [
    "UNP:O60885",
    "UNP:P25440"
   ]
  },
  {
   "line": 22587,
   "comp_id": "RWD",
   "ikey_connectivity": "UILOQPSPJQYNHO",
   "smiles": "CC1(Cc2cn(-c3ccccc3)nn2)NC(=O)CC1O",
   "targets": [
    "UNP:O43809"
   ]
  },
  {
   "line": 16974,
   "comp_id": "JEU",
   "ikey_connectivity": "XRVDGNKRPOAQTN",
   "smiles": "CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1C#N",
   "targets": [
    "UNP:D9IEF7",
    "UNP:P21453",
    "UNP:P59768",
    "UNP:P62873",
    "UNP:P63096"
   ]
  }
 ]
}