0 B19R2.52042 CCCCC=NNC(=O)c1nc2ccccc2o1 4a_200000092613_100000210104 [0,0,0,0,0,0|3,0,1]=4 1 B19R2.52042 CCCCCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210614 [0,0,0,0,0,0|3,0,0]=3 2 B19R2.52042 CCCCCCCC(=O)C1Cc2ccccc2C1 1458a_100000211969_100000753484 [0,0,0,0,0,0|3,0,1]=4 3 B19R2.52042 CCCCCCCC(=O)C1Cc2ccccc2C1 1458a_100000685393_100000210614 [0,0,0,0,0,0|3,0,1]=4 4 B19R2.52042 CCCCCCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100000210614 [0,0,0,0,0,0|2,0,1]=3 5 B19R2.52042 CCCCCCCC(=O)C1Cc2ccccc2S1 1458a_100000024912_100000210614 [0,0,0,0,0,0|2,1,1]=4 6 B19R2.52042 CCCCCCCC(=O)N1Cc2ccccc2C1 11a_100000752595_100000211969 [0,0,0,0,0,0|4,0,0]=4 7 B19R2.52042 CCCCCCCC(=O)N1Cc2ccccc2C1 1626a_100000752595_100000211969 [0,0,0,0,0,0|4,0,0]=4 8 B19R2.52042 CCCCCCCC(=O)N1Cc2ccccc2C1 240690a_100000752595_100000211969 [0,0,0,0,0,0|4,0,0]=4 9 B19R2.52042 CCCCCCCC(=O)N1Cc2ccccc2C1 527a_100000752595_100000211969 [0,0,0,0,0,0|4,0,0]=4 10 B19R2.52042 CCCCCCCC(=O)N1Cc2cccnc2C1 11a_100000726175_100000211969 [0,0,0,0,0,0|3,0,0]=3 11 B19R2.52042 CCCCCCCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100000211969 [0,0,0,0,0,0|3,0,0]=3 12 B19R2.52042 CCCCCCCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100000211969 [0,0,0,0,0,0|3,0,0]=3 13 B19R2.52042 CCCCCCCC(=O)N1Cc2cccnc2C1 527a_100000726175_100000211969 [0,0,0,0,0,0|3,0,0]=3 14 B19R2.52042 CCCCCCCC(=O)N1Cc2cncnc2C1 11a_100015200256_100000211969 [0,0,0,0,0,0|4,0,0]=4 15 B19R2.52042 CCCCCCCC(=O)N1Cc2cncnc2C1 240690a_100015200256_100000211969 [0,0,0,0,0,0|4,0,0]=4 16 B19R2.52042 CCCCCCCC(=O)N1Cc2cncnc2C1 527a_100015200256_100000211969 [0,0,0,0,0,0|4,0,0]=4 17 B19R2.52042 CCCCCCCN(C)c1nc2ccccc2[nH]1 27a_100000228206_100009814255 [0,0,0,0,0,0|4,0,0]=4 18 B19R2.52042 CCCCCCCN(C)c1nc2ccccc2s1 27a_100000228206_100000751744 [0,0,0,0,0,0|3,1,0]=4 19 B19R2.52042 CCCCCCCN(C)c1nc2cccnc2s1 27a_100000228206_100010188088 [0,0,0,0,0,0|4,0,0]=4 20 B19R2.52042 CCCCCCNC(=O)C1=Cc2ccccc2C1 11a_100000210581_100009862756 [0,0,0,0,0,0|4,0,0]=4 21 B19R2.52042 CCCCCCNC(=O)C1=Cc2ccccc2C1 1626a_100000210581_100009862756 [0,0,0,0,0,0|4,0,0]=4 22 B19R2.52042 CCCCCCNC(=O)C1=Cc2ccccc2C1 240690a_100000210581_100009862756 [0,0,0,0,0,0|4,0,0]=4 23 B19R2.52042 CCCCCCNC(=O)C1Cc2ccccc2O1 11a_100000210581_100000209886 [0,0,0,0,0,0|3,0,1]=4 24 B19R2.52042 CCCCCCNC(=O)C1Cc2ccccc2O1 1626a_100000210581_100000209886 [0,0,0,0,0,0|3,0,1]=4 25 B19R2.52042 CCCCCCNC(=O)C1Cc2ccccc2O1 240690a_100000210581_100000209886 [0,0,0,0,0,0|3,0,1]=4 26 B19R2.52042 CCCCCCNC(=O)C1Cc2ccccc2O1 527a_100000210581_100000209886 [0,0,0,0,0,0|3,0,1]=4 27 B19R2.52042 CCCCCCNC(=O)N1Cc2cccnc2C1 2708a_100000210581_100000726175 [0,0,0,0,0,0|4,0,0]=4 28 B19R2.52042 CCCCCCNC(=O)N1Cc2cccnc2C1 273464a_100000210581_100000726175 [0,0,0,0,0,0|4,0,0]=4 29 B19R2.52042 CCCCCNCC(=O)c1cc2ccccc2s1 2230a_100000209983_100012351422 [0,0,0,0,0,0|3,1,0]=4 30 B19R2.52042 CCCCCNCC(=O)c1nc2ccccc2s1 2230a_100000209983_100000198972 [0,0,0,0,0,0|2,1,0]=3 31 B19R2.52042 CCCCCNN=C(C)c1nc2ccccc2o1 4a_100000694160_100000037696 [0,0,0,0,0,0|4,0,0]=4 32 B19R2.52042 CCCCCOCC(=O)c1cc2ccccc2s1 7a_100000210253_100012351422 [0,0,0,0,0,0|3,1,0]=4 33 B19R2.52042 CCCCCSCC(=O)c1cc2ccccc2o1 62a_100000210326_100000209828 [0,0,0,0,0,0|3,0,0]=3 34 B19R2.52042 CCCCCSCC(=O)c1cc2ccccc2s1 62a_100012351422_100000210326 [0,0,0,0,0,0|3,1,0]=4 35 B19R2.52042 CCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000210326 [0,0,0,0,0,0|2,1,0]=3 36 B19R2.52042 CCCCOCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000743108 [0,0,0,0,0,0|4,0,0]=4 37 B19R2.52042 CCCCOCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100000743108 [0,0,0,0,0,0|3,0,1]=4 38 B19R2.52042 CCOCCNCC(=O)c1nc2ccccc2s1 2230a_102516460346_100000198972 [0,0,0,0,0,0|3,1,0]=4 39 B19R2.52042 CCOCCSCC(=O)c1cc2ccccc2o1 62a_100000210147_100000209828 [0,0,0,0,0,0|4,0,0]=4 40 B19R2.52042 CCOCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100011215890 [0,0,0,0,0,0|3,1,0]=4 41 B19R2.52042 CCSCCNCC(=O)c1nc2ccccc2s1 2230a_100000106463_100000198972 [0,0,0,0,0,0|3,1,0]=4 42 B19R2.52042 CCSCCSCC(=O)c1cc2ccccc2o1 62a_100000757381_100000209828 [0,0,0,0,0,0|4,0,0]=4 43 B19R2.52042 CCSCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000757381 [0,0,0,0,0,0|3,1,0]=4 44 B19R2.52042 COCCCCCC(=O)N1Cc2cccnc2C1 11a_100000726175_100011935119 [0,0,0,0,0,0|4,0,0]=4 45 B19R2.52042 COCCCCCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100011935119 [0,0,0,0,0,0|4,0,0]=4 46 B19R2.52042 COCCCCCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100011935119 [0,0,0,0,0,0|4,0,0]=4 47 B19R2.52042 COCCCCCC(=O)N1Cc2cccnc2C1 527a_100000726175_100011935119 [0,0,0,0,0,0|4,0,0]=4 48 B19R2.52042 COCCCSCC(=O)c1cc2ccccc2o1 62a_100000709357_100000209828 [0,0,0,0,0,0|4,0,0]=4 49 B19R2.52042 COCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000709357 [0,0,0,0,0,0|3,1,0]=4 50 B19R2.52042 CSCCCNCC(=O)c1nc2ccccc2s1 2230a_100000749238_100000198972 [0,0,0,0,0,0|3,1,0]=4 51 B19R2.52042 O=C(CCCCCCF)C1=Cc2ccccc2C1 1458a_100009862756_100015922095 [0,0,0,0,0,0|4,0,0]=4 52 B19R2.52042 O=C(CCCCCCF)C1Cc2ccccc2O1 1458a_100000209886_100015922095 [0,0,0,0,0,0|3,0,1]=4 53 B19R2.52042 O=C(CCCCCCO)C1=Cc2ccccc2C1 1458a_100009862756_100000766143 [0,0,0,0,0,0|4,0,0]=4 54 B19R2.52042 O=C(CCCCCCO)C1Cc2ccccc2O1 1458a_100000209886_100000766143 [0,0,0,0,0,0|3,0,1]=4 55 B19R2.52042 O=C(CCCCCCO)N1Cc2cccnc2C1 240690a_100000726175_100011996774 [0,0,0,0,0,0|4,0,0]=4 56 B19R2.52042 O=C(CNCCCCO)c1nc2ccccc2s1 2230a_100000750430_100000198972 [0,0,0,0,0,0|3,1,0]=4 57 B19R2.52042 O=C(CSCCCCF)c1cc2ccccc2o1 62a_100000729493_100000209828 [0,0,0,0,0,0|4,0,0]=4 58 B19R2.52042 O=C(CSCCCCF)c1nc2ccccc2s1 62a_100000198972_100000729493 [0,0,0,0,0,0|3,1,0]=4 59 B19R2.52042 O=C(CSCCCCO)c1cc2ccccc2o1 62a_100000210776_100000209828 [0,0,0,0,0,0|4,0,0]=4 60 B19R2.52042 O=C(CSCCCCO)c1nc2ccccc2s1 62a_100000198972_100000210776 [0,0,0,0,0,0|3,1,0]=4 61 B18R2.7339 BrCCCCCOCc1nc2ncccc2o1 7a_100000746331_100000696355 [1,0,0,0,0,0|2,0,1]=4 62 B18R2.7339 CCCCCCC=Cc1cc2ccccc2o1 271570a_200015348155_100010159458 [1,0,0,0,0,0|2,0,1]=4 63 B18R2.7339 CCCCCCC=Cc1cc2cccnc2[nH]1 271570a_200015348155_100010079843 [1,0,0,0,0,0|1,0,2]=4 64 B18R2.7339 CCCCCCC=Cc1nc2ccccc2[nH]1 271570a_200015348155_100009814255 [1,0,0,0,0,0|2,0,1]=4 65 B18R2.7339 CCCCCCC=Cc1nc2ccccc2s1 271570a_200015348155_100000751744 [1,0,0,0,0,0|1,1,1]=4 66 B18R2.7339 CCCCCCC=Cc1nc2cccnc2s1 271570a_200015348155_100010188088 [1,0,0,0,0,0|2,0,1]=4 67 B18R2.7339 CCCCCCCNc1nc2ccccc2[nH]1 27a_100000229938_100009814255 [1,0,0,0,0,0|3,0,0]=4 68 B18R2.7339 CCCCCCCNc1nc2ccccc2s1 27a_100000229938_100000751744 [1,0,0,0,0,0|2,1,0]=4 69 B18R2.7339 CCCCCCCNc1nc2cccnc2s1 27a_100000229938_100010188088 [1,0,0,0,0,0|3,0,0]=4 70 B18R2.7339 CCCCCCCSc1cc2ccccc2o1 62a_100000210614_100010159458 [1,0,0,0,0,0|3,0,0]=4 71 B18R2.7339 CCCCCCCSc1cc2cccnc2[nH]1 62a_100000210614_100010079843 [1,0,0,0,0,0|2,0,1]=4 72 B18R2.7339 CCCCCCCSc1nc2ccccc2[nH]1 62a_100000210614_100009814255 [1,0,0,0,0,0|3,0,0]=4 73 B18R2.7339 CCCCCCCSc1nc2ccccc2s1 62a_100000210614_100000751744 [1,0,0,0,0,0|2,1,0]=4 74 B18R2.7339 CCCCCCCSc1nc2cccnc2s1 62a_100000210614_100010188088 [1,0,0,0,0,0|3,0,0]=4 75 B18R2.7339 CCCCCCCSc1nc2cccnc2s1 62a_100010188088_100000210316 [1,0,0,0,0,0|3,0,0]=4 76 B18R2.7339 CCCCCCNCc1cc2ncccc2o1 207a_100000210581_100000104172 [1,0,0,0,0,0|2,0,1]=4 77 B18R2.7339 CCCCCCNCc1cc2ncccc2o1 270004a_100000210581_100000104172 [1,0,0,0,0,0|2,0,1]=4 78 B18R2.7339 CCCCCCNCc1nc2ccccc2o1 2230a_100000210581_100000195508 [1,0,0,0,0,0|2,0,1]=4 79 B18R2.7339 CCCCCCNCc1nc2ncccc2o1 2230a_100000210581_100000696355 [1,0,0,0,0,0|1,0,1]=3 80 B18R2.7339 CCCCCCOCc1nc2ccccc2o1 34a_100000210259_200012361514 [1,0,0,0,0,0|2,0,1]=4 81 B18R2.7339 CCCCCCOCc1nc2ccccc2o1 7a_100000210259_100000195508 [1,0,0,0,0,0|2,0,1]=4 82 B18R2.7339 CCCCCCOCc1nc2ncccc2o1 7a_100000210259_100000696355 [1,0,0,0,0,0|1,0,1]=3 83 B18R2.7339 CCCCCCSCc1nc2ccccc2o1 62a_100000210314_100000195508 [1,0,0,0,0,0|2,0,1]=4 84 B18R2.7339 CCCCCCSCc1nc2ncccc2o1 62a_100000210314_100000696355 [1,0,0,0,0,0|1,0,1]=3 85 B18R2.7339 CCCCCNN=Cc1cc2ncccc2o1 4a_100000694160_100000104172 [1,0,0,0,0,0|3,0,0]=4 86 B18R2.7339 CCCCOCSCc1nc2ncccc2o1 62a_100011995733_100000696355 [1,0,0,0,0,0|2,0,1]=4 87 B18R2.7339 CCCOCCNCc1nc2ncccc2o1 2230a_100161115042_100000696355 [1,0,0,0,0,0|2,0,1]=4 88 B18R2.7339 CCCOCCOCc1nc2ncccc2o1 7a_100000752267_100000696355 [1,0,0,0,0,0|2,0,1]=4 89 B18R2.7339 CCCOCCSCc1nc2ncccc2o1 62a_100011215938_100000696355 [1,0,0,0,0,0|2,0,1]=4 90 B18R2.7339 CCCSCCNCc1nc2ncccc2o1 2230a_100020603323_100000696355 [1,0,0,0,0,0|2,0,1]=4 91 B18R2.7339 CCCSCCOCc1nc2ncccc2o1 7a_200000230433_100000696355 [1,0,0,0,0,0|2,0,1]=4 92 B18R2.7339 CCOCCCNCc1nc2ncccc2o1 2230a_100000210961_100000696355 [1,0,0,0,0,0|2,0,1]=4 93 B18R2.7339 CCOCCCOCc1nc2ncccc2o1 7a_100000757476_100000696355 [1,0,0,0,0,0|2,0,1]=4 94 B18R2.7339 CCOCCCSCc1nc2ncccc2o1 62a_100012232248_100000696355 [1,0,0,0,0,0|2,0,1]=4 95 B18R2.7339 CCSCCCOCc1nc2ncccc2o1 7a_100011216438_100000696355 [1,0,0,0,0,0|2,0,1]=4 96 B18R2.7339 COCCCCSCc1nc2ncccc2o1 62a_100000730899_100000696355 [1,0,0,0,0,0|2,0,1]=4 97 B18R2.7339 CSCCCCOCc1nc2ncccc2o1 7a_100011217163_100000696355 [1,0,0,0,0,0|2,0,1]=4 98 B18R2.7339 ClCCCCCOCc1nc2ncccc2o1 7a_100000746330_100000696355 [1,0,0,0,0,0|2,0,1]=4 99 B18R2.7339 FCCCCCSCc1nc2ncccc2o1 62a_100000729378_100000696355 [1,0,0,0,0,0|2,0,1]=4 100 B18R2.7339 ICCCCCOCc1nc2ncccc2o1 7a_200012148887_100000696355 [1,0,0,0,0,0|2,0,1]=4 101 B18R2.7339 OCCCCCNCc1nc2ncccc2o1 2230a_100000762737_100000696355 [1,0,0,0,0,0|2,0,1]=4 102 B18R2.7339 OCCCCCSCc1nc2ncccc2o1 62a_100000746330_100000696355 [1,0,0,0,0,0|2,0,1]=4 103 B18R2.14794 CCCCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210757 [1,0,0,0,0,0|3,0,0]=4 104 B18R2.14794 CCCCCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100000210757 [1,0,0,0,0,0|2,0,1]=4 105 B18R2.14794 CCCCCCC(=O)N1Cc2cccnc2C1 11a_100000726175_100102632555 [1,0,0,0,0,0|3,0,0]=4 106 B18R2.14794 CCCCCCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100102632555 [1,0,0,0,0,0|3,0,0]=4 107 B18R2.14794 CCCCCCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100102632555 [1,0,0,0,0,0|3,0,0]=4 108 B18R2.14794 CCCCCCC(=O)N1Cc2cccnc2C1 527a_100000726175_100102632555 [1,0,0,0,0,0|3,0,0]=4 109 B18R2.14794 CCCCNCC(=O)c1nc2ccccc2s1 2230a_100000102301_100000198972 [1,0,0,0,0,0|2,1,0]=4 110 B18R2.14794 CCCCSCC(=O)c1cc2ccccc2o1 62a_100000210211_100000209828 [1,0,0,0,0,0|3,0,0]=4 111 B18R2.14794 CCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000210210 [1,0,0,0,0,0|2,1,0]=4 112 B20R2.33284 CCCCCC(=O)CC(=O)c1cc2ccccc2o1 1458a_100000212188_100000209828 [0,1,0,0,0,0|2,0,1]=4 113 B20R2.33284 CCCCCN(C)CC(=O)c1cc2ccccc2o1 269982a_100000223495_100000209828 [0,1,0,0,0,0|3,0,0]=4 114 B20R2.33284 CCCCCN(C)CC(=O)c1nc2ccccc2s1 2230a_100000223495_100000198972 [0,1,0,0,0,0|2,1,0]=4 115 B20R2.33284 CCCCCN(C)CC(=O)c1nc2ccccc2s1 269982a_100000223495_100000198972 [0,1,0,0,0,0|2,1,0]=4 116 B20R2.46935 CCCCCC=NNC(=O)c1nc2ccccc2o1 4a_200000092613_100000737632 [0,1,0,0,0,0|2,0,1]=4 117 B20R2.46935 CCCCCCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210759 [0,1,0,0,0,0|3,0,0]=4 118 B20R2.46935 CCCCCCCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100000210759 [0,1,0,0,0,0|2,0,1]=4 119 B20R2.46935 CCCCCCCCC(=O)N1Cc2cccnc2C1 11a_100000726175_100000210188 [0,1,0,0,0,0|3,0,0]=4 120 B20R2.46935 CCCCCCCCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100000210188 [0,1,0,0,0,0|3,0,0]=4 121 B20R2.46935 CCCCCCCCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100000210188 [0,1,0,0,0,0|3,0,0]=4 122 B20R2.46935 CCCCCCCCC(=O)N1Cc2cccnc2C1 527a_100000726175_100000210188 [0,1,0,0,0,0|3,0,0]=4 123 B20R2.46935 CCCCCCCNC(=O)C1=Cc2ccccc2C1 11a_100000229938_100009862756 [0,1,0,0,0,0|3,0,0]=4 124 B20R2.46935 CCCCCCCNC(=O)C1=Cc2ccccc2C1 1626a_100000229938_100009862756 [0,1,0,0,0,0|3,0,0]=4 125 B20R2.46935 CCCCCCCNC(=O)C1=Cc2ccccc2C1 240690a_100000229938_100009862756 [0,1,0,0,0,0|3,0,0]=4 126 B20R2.46935 CCCCCCCNC(=O)C1Cc2ccccc2O1 11a_100000229938_100000209886 [0,1,0,0,0,0|2,0,1]=4 127 B20R2.46935 CCCCCCCNC(=O)C1Cc2ccccc2O1 1626a_100000229938_100000209886 [0,1,0,0,0,0|2,0,1]=4 128 B20R2.46935 CCCCCCCNC(=O)C1Cc2ccccc2O1 240690a_100000229938_100000209886 [0,1,0,0,0,0|2,0,1]=4 129 B20R2.46935 CCCCCCCNC(=O)C1Cc2ccccc2O1 527a_100000229938_100000209886 [0,1,0,0,0,0|2,0,1]=4 130 B20R2.46935 CCCCCCCNC(=O)N1Cc2cccnc2C1 2708a_100000229938_100000726175 [0,1,0,0,0,0|3,0,0]=4 131 B20R2.46935 CCCCCCCNC(=O)N1Cc2cccnc2C1 273464a_100000229938_100000726175 [0,1,0,0,0,0|3,0,0]=4 132 B20R2.46935 CCCCCCNCC(=O)c1cc2ccccc2s1 2230a_100000210581_100012351422 [0,1,0,0,0,0|2,1,0]=4 133 B20R2.46935 CCCCCCNCC(=O)c1nc2ccccc2s1 2230a_100000210581_100000198972 [0,1,0,0,0,0|1,1,0]=3 134 B20R2.46935 CCCCCCOCC(=O)c1cc2ccccc2s1 7a_100000210259_100012351422 [0,1,0,0,0,0|2,1,0]=4 135 B20R2.46935 CCCCCCSCC(=O)c1cc2ccccc2o1 62a_100000210314_100000209828 [0,1,0,0,0,0|2,0,0]=3 136 B20R2.46935 CCCCCCSCC(=O)c1cc2ccccc2s1 62a_100012351422_100000210757 [0,1,0,0,0,0|2,1,0]=4 137 B20R2.46935 CCCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000210757 [0,1,0,0,0,0|1,1,0]=3 138 B20R2.46935 CCCCOCSCC(=O)c1cc2ccccc2o1 62a_100011995733_100000209828 [0,1,0,0,0,0|3,0,0]=4 139 B20R2.46935 CCCCOCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100011995733 [0,1,0,0,0,0|2,1,0]=4 140 B20R2.46935 CCCOCCNCC(=O)c1nc2ccccc2s1 2230a_100161115042_100000198972 [0,1,0,0,0,0|2,1,0]=4 141 B20R2.46935 CCCOCCSCC(=O)c1cc2ccccc2o1 62a_100011215938_100000209828 [0,1,0,0,0,0|3,0,0]=4 142 B20R2.46935 CCCOCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100011215938 [0,1,0,0,0,0|2,1,0]=4 143 B20R2.46935 CCCSCCNCC(=O)c1nc2ccccc2s1 2230a_100020603323_100000198972 [0,1,0,0,0,0|2,1,0]=4 144 B20R2.46935 CCOCCCNCC(=O)c1nc2ccccc2s1 2230a_100000210961_100000198972 [0,1,0,0,0,0|2,1,0]=4 145 B20R2.46935 CCOCCCSCC(=O)c1cc2ccccc2o1 62a_100012232248_100000209828 [0,1,0,0,0,0|3,0,0]=4 146 B20R2.46935 CCOCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100012232248 [0,1,0,0,0,0|2,1,0]=4 147 B20R2.46935 COCCCCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100011998445 [0,1,0,0,0,0|3,0,0]=4 148 B20R2.46935 COCCCCCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100011998445 [0,1,0,0,0,0|2,0,1]=4 149 B20R2.46935 COCCCCSCC(=O)c1cc2ccccc2o1 62a_100000730899_100000209828 [0,1,0,0,0,0|3,0,0]=4 150 B20R2.46935 COCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000730899 [0,1,0,0,0,0|2,1,0]=4 151 B20R2.46935 O=C(CCCCCCCO)C1=Cc2ccccc2C1 1458a_100009862756_100000760002 [0,1,0,0,0,0|3,0,0]=4 152 B20R2.46935 O=C(CCCCCCCO)C1Cc2ccccc2O1 1458a_100000209886_100000760002 [0,1,0,0,0,0|2,0,1]=4 153 B20R2.46935 O=C(CCCCCCCO)N1Cc2cccnc2C1 240690a_100000726175_100011219782 [0,1,0,0,0,0|3,0,0]=4 154 B20R2.46935 O=C(CNCCCCCO)c1nc2ccccc2s1 2230a_100000762737_100000198972 [0,1,0,0,0,0|2,1,0]=4 155 B20R2.46935 O=C(CSCCCCCF)c1cc2ccccc2o1 62a_100000729378_100000209828 [0,1,0,0,0,0|3,0,0]=4 156 B20R2.46935 O=C(CSCCCCCF)c1nc2ccccc2s1 62a_100000198972_100000729378 [0,1,0,0,0,0|2,1,0]=4 157 B20R2.46935 O=C(CSCCCCCO)c1cc2ccccc2o1 62a_100000746330_100000209828 [0,1,0,0,0,0|3,0,0]=4 158 B20R2.46935 O=C(CSCCCCCO)c1nc2ccccc2s1 62a_100000198972_100000746330 [0,1,0,0,0,0|2,1,0]=4 159 B20R2.77728 CCCCCCCC(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_100000210614 [0,1,0,0,0,0|2,0,1]=4 160 B20R2.77728 CCCCCCCC(=O)C1Cc2ccc(cc2O1)C 1458a_100009922052_100000210614 [0,1,0,0,0,0|2,0,1]=4 161 B20R2.77728 CCCCCCCC(=O)N1Cc2ccc(nc2C1)Cl 11a_100016995040_100000211969 [0,1,0,0,0,0|3,0,0]=4 162 B20R2.77728 CCCCCCCC(=O)N1Cc2ccc(nc2C1)Cl 1626a_100016995040_100000211969 [0,1,0,0,0,0|3,0,0]=4 163 B20R2.77728 CCCCCCCC(=O)N1Cc2ccc(nc2C1)Cl 240690a_100016995040_100000211969 [0,1,0,0,0,0|3,0,0]=4 164 B20R2.77728 CCCCCCCC(=O)N1Cc2ccc(nc2C1)Cl 527a_100016995040_100000211969 [0,1,0,0,0,0|3,0,0]=4 165 B20R2.77728 CCCCCOCC(=O)c1cc2cc(ccc2o1)Br 34a_100000210253_100010170448 [0,1,0,0,0,0|3,0,0]=4 166 B20R2.77728 CCCCCSCC(=O)c1cc2cc(ccc2o1)Br 62a_100000210326_100010170448 [0,1,0,0,0,0|3,0,0]=4 167 B20R2.77730 CCCCCCCC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_100000210614 [0,1,0,0,0,0|3,0,0]=4 168 B20R2.77730 CCCCCNCC(=O)c1oc2ccccc2c1C 2230a_100000209983_100000684729 [0,1,0,0,0,0|3,0,0]=4 169 B20R2.77730 CCCCCSCC(=O)c1oc2ccccc2c1C 62a_100000210326_100000684729 [0,1,0,0,0,0|3,0,0]=4 170 B20R2.173405 CC(C)CCCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210682 [0,1,0,0,0,0|3,0,0]=4 171 B20R2.173405 CC(C)CCCCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100000210682 [0,1,0,0,0,0|2,0,1]=4 172 B20R2.173405 CC(C)CCCCCC(=O)N1Cc2cccnc2C1 11a_100000726175_100000766313 [0,1,0,0,0,0|3,0,0]=4 173 B20R2.173405 CC(C)CCCCCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100000766313 [0,1,0,0,0,0|3,0,0]=4 174 B20R2.173405 CC(C)CCCCCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100000766313 [0,1,0,0,0,0|3,0,0]=4 175 B20R2.173405 CC(C)CCCCCC(=O)N1Cc2cccnc2C1 527a_100000726175_100000766313 [0,1,0,0,0,0|3,0,0]=4 176 B20R2.173405 CC(C)CCCNCC(=O)c1nc2ccccc2s1 2230a_200000737386_100000198972 [0,1,0,0,0,0|2,1,0]=4 177 B20R2.173405 CC(C)CCCSCC(=O)c1cc2ccccc2o1 62a_100011214892_100000209828 [0,1,0,0,0,0|3,0,0]=4 178 B20R2.173405 CC(C)CCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100011214892 [0,1,0,0,0,0|2,1,0]=4 179 B20R2.173405 CC(O)CCCSCC(=O)c1cc2ccccc2o1 62a_200000718107_100000209828 [0,1,0,0,0,0|3,0,0]=4 180 B20R2.173405 CC(O)CCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_200000718107 [0,1,0,0,0,0|2,1,0]=4 181 B20R2.187719 CCCCC(C)CCC(=O)N1Cc2cccnc2C1 11a_100000726175_100000033779 [0,1,0,0,0,0|3,0,0]=4 182 B20R2.187719 CCCCC(C)CCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100000033779 [0,1,0,0,0,0|3,0,0]=4 183 B20R2.187719 CCCCC(C)CCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100000033779 [0,1,0,0,0,0|3,0,0]=4 184 B20R2.187719 CCCCC(C)CCC(=O)N1Cc2cccnc2C1 527a_100000726175_100000033779 [0,1,0,0,0,0|3,0,0]=4 185 B20R2.187719 CCCCC(C)NCC(=O)c1nc2ccccc2s1 2230a_100000126638_100000198972 [0,1,0,0,0,0|2,1,0]=4 186 B20R2.187719 CCCCC(C)SCC(=O)c1cc2ccccc2o1 62a_200011215066_100000209828 [0,1,0,0,0,0|3,0,0]=4 187 B20R2.187719 CCCCC(C)SCC(=O)c1nc2ccccc2s1 62a_100000198972_200011215066 [0,1,0,0,0,0|2,1,0]=4 188 B20R2.188402 CCCCCCC(C)C(=O)C1=Cc2ccccc2C1 1458a_100009862756_100011215978 [0,1,0,0,0,0|3,0,0]=4 189 B20R2.188402 CCCCCCC(C)C(=O)C1Cc2ccccc2O1 1458a_100000209886_100011215978 [0,1,0,0,0,0|2,0,1]=4 190 B20R2.188402 CCCCCCC(O)C(=O)N1Cc2cccnc2C1 240690a_100000726175_100011215828 [0,1,0,0,0,0|3,0,0]=4 191 B20R2.206695 CCCC(C)CSCC(=O)c1cc2ccccc2o1 62a_100011216630_100000209828 [0,1,0,0,0,0|3,0,0]=4 192 B20R2.206695 CCCC(C)CSCC(=O)c1nc2ccccc2s1 62a_100000198972_100011216630 [0,1,0,0,0,0|2,1,0]=4 193 B20R2.244938 CCC(C)CCNCC(=O)c1nc2ccccc2s1 2230a_100020591266_100000198972 [0,1,0,0,0,0|2,1,0]=4 194 B18R1.315 C/C(=C\c1ccccn1)/C(=O)CCCCCCF 1458a_100025712827_100015922095 [0,0,1,0,0,0|3,0,0]=4 195 B18R1.315 C/C(=C\c1ccccn1)/C(=O)CCCCCCO 1458a_100025712827_100000766143 [0,0,1,0,0,0|3,0,0]=4 196 B18R1.315 CCCCCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210614 [0,0,1,0,0,0|3,0,0]=4 197 B18R1.315 CCCCCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210614 [0,0,1,0,0,0|3,0,0]=4 198 B18R1.315 CCCCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210614 [0,0,1,0,0,0|2,0,0]=3 199 B18R1.315 CCCCCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210614 [0,0,1,0,0,0|3,0,0]=4 200 B18R1.315 CCCCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210614 [0,0,1,0,0,0|2,0,0]=3 201 B18R1.315 CCCCCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210614 [0,0,1,0,0,0|1,0,2]=4 202 B18R1.315 CCCCCCCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000210614 [0,0,1,0,0,0|2,0,1]=4 203 B18R1.315 CCCCCCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210614 [0,0,1,0,0,0|2,0,1]=4 204 B18R1.315 CCCCCCCC(=O)C(C)Sc1ccccn1 1458a_100000156770_100000210614 [0,0,1,0,0,0|2,0,1]=4 205 B18R1.315 CCCCCCCC(=O)N(C)Cc1ccccn1 11a_100000207498_100000211969 [0,0,1,0,0,0|3,0,0]=4 206 B18R1.315 CCCCCCCC(=O)N(C)Cc1ccccn1 240690a_100000207498_100000211969 [0,0,1,0,0,0|3,0,0]=4 207 B18R1.315 CCCCCCCC(=O)N(C)Cc1ccccn1 527a_100000207498_100000211969 [0,0,1,0,0,0|3,0,0]=4 208 B18R1.315 CCCCCCCC(=O)N(C)Cc1cccnc1 11a_100000184577_100000211969 [0,0,1,0,0,0|3,0,0]=4 209 B18R1.315 CCCCCCCC(=O)N(C)Cc1cccnc1 240690a_100000184577_100000211969 [0,0,1,0,0,0|3,0,0]=4 210 B18R1.315 CCCCCCCC(=O)N(C)Cc1cccnc1 527a_100000184577_100000211969 [0,0,1,0,0,0|3,0,0]=4 211 B18R1.315 CCCCCCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210614 [0,0,1,0,0,0|2,0,1]=4 212 B18R1.315 CCCCCCNC(=O)/C(=C/c1ccccn1)/C 11a_100000210581_100025712827 [0,0,1,0,0,0|3,0,0]=4 213 B18R1.315 CCCCCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000210581_100025712827 [0,0,1,0,0,0|3,0,0]=4 214 B18R1.315 CCCCCCNC(=O)/C(=C/c1ccccn1)/C 527a_100000210581_100025712827 [0,0,1,0,0,0|3,0,0]=4 215 B18R1.315 CCCCCCNC(=O)C(=Cc1cccnc1)F 11a_100000210581_100000731744 [0,0,1,0,0,0|3,0,0]=4 216 B18R1.315 CCCCCCNC(=O)C(=Cc1cccnc1)F 240690a_100000210581_100000731744 [0,0,1,0,0,0|3,0,0]=4 217 B18R1.315 CCCCCCNC(=O)C(=Cc1cccnc1)F 527a_100000210581_100000731744 [0,0,1,0,0,0|3,0,0]=4 218 B18R1.315 CCCCOCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000743108 [0,0,1,0,0,0|3,0,0]=4 219 B18R1.315 CCCCOCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000743108 [0,0,1,0,0,0|3,0,0]=4 220 B18R1.315 O=C(CCCCCCF)C(=Cc1cccnc1)F 1458a_100000731744_100015922095 [0,0,1,0,0,0|3,0,0]=4 221 B18R1.315 O=C(CCCCCCO)C(=Cc1cccnc1)F 1458a_100000731744_100000766143 [0,0,1,0,0,0|3,0,0]=4 222 B18R1.10542 CCCCCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210614 [0,0,1,0,0,0|3,0,0]=4 223 B18R1.10542 CCCCCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210614 [0,0,1,0,0,0|3,0,0]=4 224 B18R1.10542 CCCCCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210614 [0,0,1,0,0,0|3,0,0]=4 225 B18R1.10542 CCCCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210614 [0,0,1,0,0,0|2,0,0]=3 226 B18R1.10542 CCCCCCCC(=O)CCc1ccccc1O 1458a_100000181328_100000210614 [0,0,1,0,0,0|2,0,1]=4 227 B18R1.10542 CCCCCCCC(=O)CCc1ccccc1O 1458a_100000211969_100000722297 [0,0,1,0,0,0|2,0,1]=4 228 B18R1.10542 CCCCCCCC(=O)COc1ccccc1Br 1458a_100000216496_100000210614 [0,0,1,0,0,0|2,0,1]=4 229 B18R1.10542 CCCCCCCC(=O)COc1ccccc1C 1458a_100000182418_100000210614 [0,0,1,0,0,0|2,0,1]=4 230 B18R1.10542 CCCCCCCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210614 [0,0,1,0,0,0|2,0,1]=4 231 B18R1.10542 CCCCCCCC(=O)COc1ccccc1F 1458a_100000182486_100000210614 [0,0,1,0,0,0|2,0,1]=4 232 B18R1.10542 CCCCCCCC(=O)COc1ccccc1O 1458a_100000183020_100000210614 [0,0,1,0,0,0|2,0,1]=4 233 B18R1.10542 CCCCCCCC(=O)CSc1ccccc1O 1458a_100000695322_100000210614 [0,0,1,0,0,0|2,0,1]=4 234 B18R1.10542 CCCCCCCC(=O)NCc1ccccc1O 240690a_100000185550_100000211969 [0,0,1,0,0,0|3,0,0]=4 235 B18R1.10542 CCCCCCCC(=O)NCc1ccccc1O 527a_100000185550_100000211969 [0,0,1,0,0,0|3,0,0]=4 236 B18R1.10542 CCCCCCCC(=O)NCc1cccnc1Br 11a_100009818023_100000211969 [0,0,1,0,0,0|3,0,0]=4 237 B18R1.10542 CCCCCCCC(=O)NCc1cccnc1Br 240690a_100009818023_100000211969 [0,0,1,0,0,0|3,0,0]=4 238 B18R1.10542 CCCCCCCC(=O)NCc1cccnc1Br 527a_100009818023_100000211969 [0,0,1,0,0,0|3,0,0]=4 239 B18R1.10542 CCCCCCCC(=O)NCc1cccnc1Cl 11a_100015189234_100000211969 [0,0,1,0,0,0|3,0,0]=4 240 B18R1.10542 CCCCCCCC(=O)NCc1cccnc1Cl 1626a_100015189234_100000211969 [0,0,1,0,0,0|3,0,0]=4 241 B18R1.10542 CCCCCCCC(=O)NCc1cccnc1Cl 240690a_100015189234_100000211969 [0,0,1,0,0,0|3,0,0]=4 242 B18R1.10542 CCCCCCCC(=O)NCc1cccnc1Cl 527a_100015189234_100000211969 [0,0,1,0,0,0|3,0,0]=4 243 B18R1.10542 CCCCCCCC(=O)NCc1cccnc1F 11a_100000724633_100000211969 [0,0,1,0,0,0|3,0,0]=4 244 B18R1.10542 CCCCCCCC(=O)NCc1cccnc1F 1626a_100000724633_100000211969 [0,0,1,0,0,0|3,0,0]=4 245 B18R1.10542 CCCCCCCC(=O)NCc1cccnc1F 240690a_100000724633_100000211969 [0,0,1,0,0,0|3,0,0]=4 246 B18R1.10542 CCCCCCCC(=O)NCc1cccnc1F 527a_100000724633_100000211969 [0,0,1,0,0,0|3,0,0]=4 247 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1Br 11a_100020591323_100000211969 [0,0,1,0,0,0|3,0,0]=4 248 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1Br 240690a_100020591323_100000211969 [0,0,1,0,0,0|3,0,0]=4 249 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1Br 527a_100020591323_100000211969 [0,0,1,0,0,0|3,0,0]=4 250 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1C 11a_100011223789_100000211969 [0,0,1,0,0,0|3,0,0]=4 251 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1C 1626a_100011223789_100000211969 [0,0,1,0,0,0|3,0,0]=4 252 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1C 240690a_100011223789_100000211969 [0,0,1,0,0,0|3,0,0]=4 253 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1C 527a_100011223789_100000211969 [0,0,1,0,0,0|3,0,0]=4 254 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1Cl 11a_100015189233_100000211969 [0,0,1,0,0,0|3,0,0]=4 255 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1Cl 1626a_100015189233_100000211969 [0,0,1,0,0,0|3,0,0]=4 256 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1Cl 240690a_100015189233_100000211969 [0,0,1,0,0,0|3,0,0]=4 257 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1Cl 527a_100015189233_100000211969 [0,0,1,0,0,0|3,0,0]=4 258 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1F 11a_100000690088_100000211969 [0,0,1,0,0,0|3,0,0]=4 259 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1F 1626a_100000690088_100000211969 [0,0,1,0,0,0|3,0,0]=4 260 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1F 240690a_100000690088_100000211969 [0,0,1,0,0,0|3,0,0]=4 261 B18R1.10542 CCCCCCCC(=O)NCc1ncccc1F 527a_100000690088_100000211969 [0,0,1,0,0,0|3,0,0]=4 262 B18R1.10542 CCCCCCCC(=O)NNc1cccnc1C 22a_100000730703_100000211969 [0,0,1,0,0,0|3,0,0]=4 263 B18R1.10542 CCCCCCCC(=O)NNc1ncccc1Br 22a_100011464834_100000211969 [0,0,1,0,0,0|2,0,1]=4 264 B18R1.10542 CCCCCCCC(=O)NNc1ncccc1C 22a_100000708268_100000211969 [0,0,1,0,0,0|2,0,1]=4 265 B18R1.10542 CCCCCCCC(=O)NNc1ncccc1Cl 22a_100000741667_100000211969 [0,0,1,0,0,0|2,0,1]=4 266 B18R1.10542 CCCCCCCC(=O)NNc1ncccc1F 22a_100000717775_100000211969 [0,0,1,0,0,0|2,0,1]=4 267 B18R1.10542 CCCCCCCC(=O)NNc1ncccc1I 22a_100010221029_100000211969 [0,0,1,0,0,0|2,0,1]=4 268 B18R1.10542 CCCCCCNC(=O)COc1cccnc1Br 34a_100000744436_100000230325 [0,0,1,0,0,0|2,0,1]=4 269 B18R1.10542 CCCCCCNC(=O)COc1cccnc1Br 7a_100000744436_100000230325 [0,0,1,0,0,0|2,0,1]=4 270 B18R1.10542 CCCCCCNC(=O)COc1cccnc1C 34a_100000745507_100000230325 [0,0,1,0,0,0|2,0,1]=4 271 B18R1.10542 CCCCCCNC(=O)COc1cccnc1C 7a_100000745507_100000230325 [0,0,1,0,0,0|2,0,1]=4 272 B18R1.10542 CCCCCCNC(=O)COc1cccnc1Cl 34a_100000757616_100000230325 [0,0,1,0,0,0|2,0,1]=4 273 B18R1.10542 CCCCCCNC(=O)COc1cccnc1Cl 7a_100000757616_100000230325 [0,0,1,0,0,0|2,0,1]=4 274 B18R1.10542 CCCCCCNC(=O)COc1cccnc1F 34a_100000061740_100000230325 [0,0,1,0,0,0|2,0,1]=4 275 B18R1.10542 CCCCCCNC(=O)COc1cccnc1F 7a_100000061740_100000230325 [0,0,1,0,0,0|2,0,1]=4 276 B18R1.10542 CCCCCCNC(=O)COc1cccnc1I 34a_100000034122_100000230325 [0,0,1,0,0,0|2,0,1]=4 277 B18R1.10542 CCCCCCNC(=O)COc1cccnc1I 7a_100000034122_100000230325 [0,0,1,0,0,0|2,0,1]=4 278 B18R1.10542 CCCCCCNC(=O)COc1cccnc1N 34a_100000211975_100000230325 [0,0,1,0,0,0|1,0,2]=4 279 B18R1.10542 CCCCCCNC(=O)COc1cccnc1N 7a_100000211975_100000230325 [0,0,1,0,0,0|1,0,2]=4 280 B18R1.10542 CCCCCCNC(=O)CSc1ncccc1O 62a_100000230325_100000034122 [0,0,1,0,0,0|2,0,1]=4 281 B18R1.10542 CCCCOCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000743108 [0,0,1,0,0,0|3,0,0]=4 282 B18R1.10542 O=C(C=Cc1ccccc1O)CCCCCCF 1458a_100016263591_100015922095 [0,0,1,0,0,0|3,0,0]=4 283 B18R1.10542 O=C(C=Cc1ccccc1O)CCCCCCO 1458a_100016263591_100000766143 [0,0,1,0,0,0|3,0,0]=4 284 B20R3.331219 O=C(CC1CCCCC1)C2=Cc3ccccc3C2 1458a_100009862756_100000211423 [0,0,0,1,0,0|3,0,0]=4 285 B20R3.331219 O=C(CC1CCCCC1)C2Cc3ccccc3O2 1458a_100000209886_100000211423 [0,0,0,1,0,0|2,0,1]=4 286 B20R3.331219 O=C(CC1CCCCC1)N2Cc3cccnc3C2 11a_100000726175_100000211666 [0,0,0,1,0,0|3,0,0]=4 287 B20R3.331219 O=C(CC1CCCCC1)N2Cc3cccnc3C2 1626a_100000726175_100000211666 [0,0,0,1,0,0|3,0,0]=4 288 B20R3.331219 O=C(CC1CCCCC1)N2Cc3cccnc3C2 240690a_100000726175_100000211666 [0,0,0,1,0,0|3,0,0]=4 289 B20R3.331219 O=C(CC1CCCCC1)N2Cc3cccnc3C2 527a_100000726175_100000211666 [0,0,0,1,0,0|3,0,0]=4 290 B20R3.1866124 O=C(C1=Cc2ccccc2C1)C3CCCCCC3 1458a_100009862756_100011217769 [0,0,0,1,0,0|3,0,0]=4 291 B20R3.1866124 O=C(C1CCCCCC1)C2Cc3ccccc3O2 1458a_100000209886_100011217769 [0,0,0,1,0,0|2,0,1]=4 292 B20R3.1866124 O=C(C1CCCCCC1)N2Cc3cccnc3C2 11a_100000726175_100000749507 [0,0,0,1,0,0|3,0,0]=4 293 B20R3.1866124 O=C(C1CCCCCC1)N2Cc3cccnc3C2 1626a_100000726175_100000749507 [0,0,0,1,0,0|3,0,0]=4 294 B20R3.1866124 O=C(C1CCCCCC1)N2Cc3cccnc3C2 240690a_100000726175_100000749507 [0,0,0,1,0,0|3,0,0]=4 295 B20R3.1866124 O=C(C1CCCCCC1)N2Cc3cccnc3C2 527a_100000726175_100000749507 [0,0,0,1,0,0|3,0,0]=4 296 B20R3.2864785 CC1CCCCC1C(=O)N2Cc3cccnc3C2 11a_100000726175_100011215568 [0,0,0,1,0,0|3,0,0]=4 297 B20R3.2864785 CC1CCCCC1C(=O)N2Cc3cccnc3C2 1626a_100000726175_100011215568 [0,0,0,1,0,0|3,0,0]=4 298 B20R3.2864785 CC1CCCCC1C(=O)N2Cc3cccnc3C2 240690a_100000726175_100011215568 [0,0,0,1,0,0|3,0,0]=4 299 B20R3.2864785 CC1CCCCC1C(=O)N2Cc3cccnc3C2 527a_100000726175_100011215568 [0,0,0,1,0,0|3,0,0]=4 300 B20R3.2899313 C[C@@H]1CCCN1CC(=O)c2cc3ccccc3o2 269982a_100015189458_100000209828 [0,0,0,1,0,0|3,0,0]=4 301 B20R3.2899313 C[C@@H]1CCCN1CC(=O)c2nc3ccccc3s2 2230a_100015189458_100000198972 [0,0,0,1,0,0|2,1,0]=4 302 B20R3.2899313 C[C@@H]1CCCN1CC(=O)c2nc3ccccc3s2 269982a_100015189458_100000198972 [0,0,0,1,0,0|2,1,0]=4 303 B20R3.2899313 C[C@H]1CCCN1CC(=O)c2cc3ccccc3o2 269982a_100020605311_100000209828 [0,0,0,1,0,0|3,0,0]=4 304 B20R3.2899313 C[C@H]1CCCN1CC(=O)c2nc3ccccc3s2 2230a_100020605311_100000198972 [0,0,0,1,0,0|2,1,0]=4 305 B20R3.2899313 C[C@H]1CCCN1CC(=O)c2nc3ccccc3s2 269982a_100020605311_100000198972 [0,0,0,1,0,0|2,1,0]=4 306 B20R3.5153540 O=C(CNCC1CCC1)c2nc3ccccc3s2 2230a_100000738700_100000198972 [0,0,0,1,0,0|2,1,0]=4 307 B20R3.5153540 O=C(CSCC1CCC1)c2cc3ccccc3o2 62a_100000763275_100000209828 [0,0,0,1,0,0|3,0,0]=4 308 B20R3.5153540 O=C(CSCC1CCC1)c2nc3ccccc3s2 62a_100000198972_100000763275 [0,0,0,1,0,0|2,1,0]=4 309 B20R3.7033140 O=C(CCC1CCCC1)C2=Cc3ccccc3C2 1458a_100009862756_100000760354 [0,0,0,1,0,0|3,0,0]=4 310 B20R3.7033140 O=C(CCC1CCCC1)C2Cc3ccccc3O2 1458a_100000209886_100000760354 [0,0,0,1,0,0|2,0,1]=4 311 B20R3.7033140 O=C(CCC1CCCC1)N2Cc3cccnc3C2 11a_100000726175_100000211120 [0,0,0,1,0,0|3,0,0]=4 312 B20R3.7033140 O=C(CCC1CCCC1)N2Cc3cccnc3C2 1626a_100000726175_100000211120 [0,0,0,1,0,0|3,0,0]=4 313 B20R3.7033140 O=C(CCC1CCCC1)N2Cc3cccnc3C2 240690a_100000726175_100000211120 [0,0,0,1,0,0|3,0,0]=4 314 B20R3.7033140 O=C(CCC1CCCC1)N2Cc3cccnc3C2 527a_100000726175_100000211120 [0,0,0,1,0,0|3,0,0]=4 315 B20R3.7033140 O=C(CNC1CCCC1)c2nc3ccccc3s2 2230a_100000211070_100000198972 [0,0,0,1,0,0|2,1,0]=4 316 B20R3.7033140 O=C(CSC1CCCC1)c2cc3ccccc3o2 62a_100011217020_100000209828 [0,0,0,1,0,0|3,0,0]=4 317 B20R3.7033140 O=C(CSC1CCCC1)c2nc3ccccc3s2 62a_100000198972_100000179811 [0,0,0,1,0,0|2,1,0]=4 318 B20R3.11329073 O=C(CSCCC1CC1)c2cc3ccccc3o2 62a_100000764125_100000209828 [0,0,0,1,0,0|3,0,0]=4 319 B20R3.11329073 O=C(CSCCC1CC1)c2nc3ccccc3s2 62a_100000198972_100000764125 [0,0,0,1,0,0|2,1,0]=4 320 B18R2.2951077 CCCCCCCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210614 [0,0,0,0,1,0|2,0,1]=4 321 B20R2.77707 C#CCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000694772_100000195508 [0,0,0,0,0,1|1,0,2]=4 322 B20R2.77707 C#CCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100012094781 [0,0,0,0,0,1|1,0,2]=4 323 B20R2.77707 C#CCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000694772_100000696355 [0,0,0,0,0,1|0,0,2]=3 324 B20R2.77707 C=CCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100011934241_100000195508 [0,0,0,0,0,1|1,0,2]=4 325 B20R2.77707 C=CCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100000700193 [0,0,0,0,0,1|1,0,2]=4 326 B20R2.77707 C=CCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100011934241_100000696355 [0,0,0,0,0,1|0,0,2]=3 327 B20R2.77707 CCCC/C=C/CC(=O)Cc1nc2ccccc2o1 1458a_200016282684_100000195508 [0,0,0,0,0,1|1,0,2]=4 328 B20R2.77707 CCCC/C=C/CC(=O)Cc1nc2ncccc2o1 1458a_200016282684_100000696355 [0,0,0,0,0,1|0,0,2]=3 329 B20R2.77707 CCCCCC#CC(=O)Cc1nc2ccccc2o1 1458a_100011215388_100000195508 [0,0,0,0,0,1|1,0,2]=4 330 B20R2.77707 CCCCCC#CC(=O)Cc1nc2ncccc2o1 1458a_100011215388_100000696355 [0,0,0,0,0,1|0,0,2]=3 331 B20R2.77707 CCCCCC=CC(=O)Cc1nc2ccccc2o1 1458a_100016263427_100000195508 [0,0,0,0,0,1|1,0,2]=4 332 B20R2.77707 CCCCCC=CC(=O)Cc1nc2ncccc2o1 1458a_100016263427_100000696355 [0,0,0,0,0,1|0,0,2]=3 333 B20R2.77707 CCCCCCCC(=O)Cc1cc2ccccc2o1 1458a_100000735538_100000210614 [0,0,0,0,0,1|2,0,0]=3 334 B20R2.77707 CCCCCCCC(=O)Cc1cc2ccccc2s1 1458a_100012001211_100000210614 [0,0,0,0,0,1|2,1,0]=4 335 B20R2.77707 CCCCCCCC(=O)Cc1cn2ccccc2n1 1458a_100000211969_100000689847 [0,0,0,0,0,1|3,0,0]=4 336 B20R2.77707 CCCCCCCC(=O)Cc1nc2ccccc2[nH]1 1458a_100000211969_100000737899 [0,0,0,0,0,1|2,0,0]=3 337 B20R2.77707 CCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000211969_100000195508 [0,0,0,0,0,1|1,0,0]=2 338 B20R2.77707 CCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100000210614 [0,0,0,0,0,1|1,0,0]=2 339 B20R2.77707 CCCCCCCC(=O)Cc1nc2ccccc2s1 1458a_100000211969_100011217541 [0,0,0,0,0,1|1,1,0]=3 340 B20R2.77707 CCCCCCCC(=O)Cc1nc2cccnc2[nH]1 1458a_100000211969_100011549802 [0,0,0,0,0,1|1,0,1]=3 341 B20R2.77707 CCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000211969_100000696355 [0,0,0,0,0,1|0,0,0]=1 342 B20R2.77707 CCCCCCCC(=O)Cn1cc2ccccc2n1 1458a_100000060251_100000210614 [0,0,0,0,0,1|3,0,0]=4 343 B20R2.77707 CCCCCCCN(C)Cc1cc2ncccc2o1 270004a_100000228206_100000104172 [0,0,0,0,0,1|3,0,0]=4 344 B20R2.77707 CCCCCCCN(C)Cc1nc2ccccc2o1 2230a_100000228206_100000195508 [0,0,0,0,0,1|3,0,0]=4 345 B20R2.77707 CCCCCCCN(C)Cc1nc2ncccc2o1 2230a_100000228206_100000696355 [0,0,0,0,0,1|2,0,0]=3 346 B20R2.77707 CCCCCCNC(=O)Cc1cc2ccccc2o1 11a_100000210581_100000735538 [0,0,0,0,0,1|3,0,0]=4 347 B20R2.77707 CCCCCCNC(=O)Cc1cc2ccccc2o1 240690a_100000210581_100000735538 [0,0,0,0,0,1|3,0,0]=4 348 B20R2.77707 CCCCCCNC(=O)Cc1nc2ccccc2[nH]1 240690a_100000210581_100000188031 [0,0,0,0,0,1|3,0,0]=4 349 B20R2.77707 CCCCCCNC(=O)Cc1nc2ccccc2s1 240690a_100000210581_100000747980 [0,0,0,0,0,1|2,1,0]=4 350 B20R2.77707 CCCCCNCC(=O)Nc1nc2ccccc2[nH]1 2230a_100000209983_100011353410 [0,0,0,0,0,1|3,0,0]=4 351 B20R2.77707 CCCCCNCC(=O)Nc1nc2ccccc2s1 2230a_100000209983_100000752643 [0,0,0,0,0,1|2,1,0]=4 352 B20R2.77707 CCCCCNNC(=O)Cc1nc2ccccc2o1 22a_100000694160_100015185861 [0,0,0,0,0,1|3,0,0]=4 353 B20R2.77707 CCCCCOCC(=O)Nc1nc2ccccc2s1 7a_100000210253_100000752643 [0,0,0,0,0,1|2,1,0]=4 354 B20R2.77707 CCCCNCCC(=O)Nc1nc2ccccc2s1 2230a_100000102301_200011213626 [0,0,0,0,0,1|2,1,0]=4 355 B20R2.77707 CCCCNCCC(=O)Nc1nc2ccccc2s1 7a_106832991798_200011213626 [0,0,0,0,0,1|2,1,0]=4 356 B20R2.77707 CCCCOCCC(=O)Cc1cc2ccccc2o1 1458a_100000735538_100000743108 [0,0,0,0,0,1|3,0,0]=4 357 B20R2.77707 CCCCOCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100000743108 [0,0,0,0,0,1|2,0,0]=3 358 B20R2.77707 CCCCOCCC(=O)Nc1nc2ccccc2s1 7a_100000210227_200011213626 [0,0,0,0,0,1|2,1,0]=4 359 B20R2.77707 COCCCCCC(=O)Cc1nc2ccccc2[nH]1 1458a_100011935119_100000737899 [0,0,0,0,0,1|3,0,0]=4 360 B20R2.77707 COCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100011935119_100000195508 [0,0,0,0,0,1|2,0,0]=3 361 B20R2.77707 COCCCCCC(=O)Cc1nc2ccccc2s1 1458a_100011935119_100011217541 [0,0,0,0,0,1|2,1,0]=4 362 B20R2.77707 COCCCCCC(=O)Cc1nc2cccnc2[nH]1 1458a_100011935119_100011549802 [0,0,0,0,0,1|2,0,1]=4 363 B20R2.77707 COCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100011935119_100000696355 [0,0,0,0,0,1|1,0,0]=2 364 B20R2.77707 COCCOCCC(=O)Cc1nc2ccccc2o1 1458a_100000745395_100000195508 [0,0,0,0,0,1|3,0,0]=4 365 B20R2.77707 COCCOCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100000695917 [0,0,0,0,0,1|3,0,0]=4 366 B20R2.77707 COCCOCCC(=O)Cc1nc2ncccc2o1 1458a_100000745395_100000696355 [0,0,0,0,0,1|2,0,0]=3 367 B20R2.77707 N#CCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100009813376 [0,0,0,0,0,1|2,0,1]=4 368 B20R2.77707 O=C(CCCCCCF)Cc1cc2ccccc2o1 1458a_100000735538_100015922095 [0,0,0,0,0,1|3,0,0]=4 369 B20R2.77707 O=C(CCCCCCF)Cc1nc2ccccc2o1 1458a_100015185861_100015922095 [0,0,0,0,0,1|2,0,0]=3 370 B20R2.77707 O=C(CCCCCCO)Cc1cc2ccccc2o1 1458a_100000735538_100000766143 [0,0,0,0,0,1|3,0,0]=4 371 B20R2.77707 O=C(CCCCCCO)Cc1nc2ccccc2[nH]1 1458a_100011996774_100000737899 [0,0,0,0,0,1|3,0,0]=4 372 B20R2.77707 O=C(CCCCCCO)Cc1nc2ccccc2o1 1458a_100011996774_100000195508 [0,0,0,0,0,1|2,0,0]=3 373 B20R2.77707 O=C(CCCCCCO)Cc1nc2ccccc2o1 1458a_100015185861_100000766143 [0,0,0,0,0,1|2,0,0]=3 374 B20R2.77707 O=C(CCCCCCO)Cc1nc2ccccc2s1 1458a_100011996774_100011217541 [0,0,0,0,0,1|2,1,0]=4 375 B20R2.77707 O=C(CCCCCCO)Cc1nc2cccnc2[nH]1 1458a_100011996774_100011549802 [0,0,0,0,0,1|2,0,1]=4 376 B20R2.77707 O=C(CCCCCCO)Cc1nc2ncccc2o1 1458a_100011996774_100000696355 [0,0,0,0,0,1|1,0,0]=2 377 B20R2.77707 [N-]=[N+]=NCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000070148_100000696355 [0,0,0,0,0,1|3,0,0]=4 378 B20R2.77740 CCCCCCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210614 [0,0,0,0,0,1|2,0,0]=3 379 B20R2.77740 CCCCCCCC(=O)C1CCc2ccccc2O1 1458a_100000065239_100000210614 [0,0,0,0,0,1|2,0,1]=4 380 B20R2.77740 CCCCCCCC(=O)C1COc2ccccc2C1 1458a_100000203760_100000210614 [0,0,0,0,0,1|2,0,1]=4 381 B20R2.77740 CCCCCCCC(=O)C1COc2ccccc2O1 1458a_100000182656_100000210614 [0,0,0,0,0,1|2,0,1]=4 382 B20R2.77740 CCCCCCCC(=O)C1Cc2ccccc2CO1 1458a_100009880028_100000210614 [0,0,0,0,0,1|2,0,1]=4 383 B20R2.77740 CCCCCCCC(=O)N1CCc2cccnc2C1 11a_100015206102_100000211969 [0,0,0,0,0,1|3,0,0]=4 384 B20R2.77740 CCCCCCCC(=O)N1CCc2cccnc2C1 1626a_100015206102_100000211969 [0,0,0,0,0,1|3,0,0]=4 385 B20R2.77740 CCCCCCCC(=O)N1CCc2cccnc2C1 240690a_100015206102_100000211969 [0,0,0,0,0,1|3,0,0]=4 386 B20R2.77740 CCCCCCCC(=O)N1CCc2cccnc2C1 527a_100015206102_100000211969 [0,0,0,0,0,1|3,0,0]=4 387 B20R2.77740 CCCCCCCC(=O)N1CCc2ncccc2C1 11a_100000699647_100000211969 [0,0,0,0,0,1|3,0,0]=4 388 B20R2.77740 CCCCCCCC(=O)N1CCc2ncccc2C1 240690a_100000699647_100000211969 [0,0,0,0,0,1|3,0,0]=4 389 B20R2.77740 CCCCCCCC(=O)N1CCc2ncccc2C1 527a_100000699647_100000211969 [0,0,0,0,0,1|3,0,0]=4 390 B20R2.77740 CCCCCCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210614 [0,0,0,0,0,1|3,0,0]=4 391 B20R2.77740 CCCCCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210614 [0,0,0,0,0,1|2,0,0]=3 392 B20R2.77740 CCCCCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210614 [0,0,0,0,0,1|2,0,0]=3 393 B20R2.77740 CCCCCCCC(=O)c1ccc2nccnc2c1 1458a_100000184533_100000210614 [0,0,0,0,0,1|3,0,0]=4 394 B20R2.77740 CCCCCCCN(C)c1ccc2cccnc2n1 27a_100000228206_100000075685 [0,0,0,0,0,1|3,0,0]=4 395 B20R2.77740 CCCCCCCN(C)c1cnc2cccnc2n1 27a_100000228206_200010275043 [0,0,0,0,0,1|3,0,0]=4 396 B20R2.77740 CCCCCCCN(C)c1cnc2ncccc2n1 27a_100000228206_100000084304 [0,0,0,0,0,1|3,0,0]=4 397 B20R2.77740 CCCCCCCN(C)c1ncc2cccnc2n1 27a_100000228206_100009875485 [0,0,0,0,0,1|3,0,0]=4 398 B20R2.77740 CCCCCCNC(=O)C1=Cc2ccccc2OC1 11a_100000210581_100000018039 [0,0,0,0,0,1|3,0,0]=4 399 B20R2.77740 CCCCCCNC(=O)C1=Cc2ccccc2OC1 1626a_100000210581_100000018039 [0,0,0,0,0,1|3,0,0]=4 400 B20R2.77740 CCCCCCNC(=O)C1=Cc2ccccc2OC1 240690a_100000210581_100000018039 [0,0,0,0,0,1|3,0,0]=4 401 B20R2.77740 CCCCCCNC(=O)C1=Cc2ccccc2OC1 527a_100000210581_100000018039 [0,0,0,0,0,1|3,0,0]=4 402 B20R2.77740 CCCCCCNC(=O)c1ccc2cccnc2c1 11a_100000210581_100011933907 [0,0,0,0,0,1|3,0,0]=4 403 B20R2.77740 CCCCCCNC(=O)c1ccc2cccnc2c1 1626a_100000210581_100011933907 [0,0,0,0,0,1|3,0,0]=4 404 B20R2.77740 CCCCCCNC(=O)c1ccc2cccnc2c1 240690a_100000210581_100011933907 [0,0,0,0,0,1|3,0,0]=4 405 B20R2.77740 CCCCCCNC(=O)c1ccc2cccnc2c1 527a_100000210581_100011933907 [0,0,0,0,0,1|3,0,0]=4 406 B20R2.77740 CCCCCCNC(=O)c1ccc2ncccc2c1 11a_100000210581_100011216044 [0,0,0,0,0,1|3,0,0]=4 407 B20R2.77740 CCCCCCNC(=O)c1ccc2ncccc2c1 1626a_100000210581_100011216044 [0,0,0,0,0,1|3,0,0]=4 408 B20R2.77740 CCCCCCNC(=O)c1ccc2ncccc2c1 240690a_100000210581_100011216044 [0,0,0,0,0,1|3,0,0]=4 409 B20R2.77740 CCCCCCNC(=O)c1ccc2ncccc2c1 527a_100000210581_100011216044 [0,0,0,0,0,1|3,0,0]=4 410 B20R2.77740 CCCCOCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000743108 [0,0,0,0,0,1|3,0,0]=4 411 B20R2.77740 CCCCOCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000743108 [0,0,0,0,0,1|3,0,0]=4 412 B20R2.77740 CCCCOCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000743108 [0,0,0,0,0,1|3,0,0]=4 413 B20R2.77740 O=C(CCCCCCF)C1=Cc2ccccc2OC1 1458a_100000018039_100015922095 [0,0,0,0,0,1|3,0,0]=4 414 B20R2.77740 O=C(CCCCCCF)c1ccc2cccnc2c1 1458a_100011933907_100015922095 [0,0,0,0,0,1|3,0,0]=4 415 B20R2.77740 O=C(CCCCCCF)c1ccc2ncccc2c1 1458a_100011216044_100015922095 [0,0,0,0,0,1|3,0,0]=4 416 B20R2.77740 O=C(CCCCCCO)C1=Cc2ccccc2OC1 1458a_100000018039_100000766143 [0,0,0,0,0,1|3,0,0]=4 417 B20R2.77740 O=C(CCCCCCO)c1ccc2cccnc2c1 1458a_100011933907_100000766143 [0,0,0,0,0,1|3,0,0]=4 418 B20R2.77740 O=C(CCCCCCO)c1ccc2ncccc2c1 1458a_100011216044_100000766143 [0,0,0,0,0,1|3,0,0]=4 419 B17R1.1287 CCCCCCCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210614 [1,0,1,0,0,0|1,0,1]=4 420 B17R1.1287 CCCCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210614 [1,0,1,0,0,0|2,0,0]=4 421 B17R1.1287 CCCCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210614 [1,0,1,0,0,0|1,0,0]=3 422 B17R1.1287 CCCCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210614 [1,0,1,0,0,0|1,0,0]=3 423 B17R1.1287 CCCCCCCC(=O)C=Cc1cncnc1 6a_100000749868_100000210596 [1,0,1,0,0,0|2,0,0]=4 424 B17R1.1287 CCCCCCCC(=O)CCc1ccccn1 1458a_100000211969_100015183660 [1,0,1,0,0,0|1,0,1]=4 425 B17R1.1287 CCCCCCCC(=O)CCc1ccccn1 1458a_100015195070_100000210614 [1,0,1,0,0,0|1,0,1]=4 426 B17R1.1287 CCCCCCCC(=O)CCc1cccnc1 1458a_100000198484_100000210614 [1,0,1,0,0,0|1,0,1]=4 427 B17R1.1287 CCCCCCCC(=O)CCc1cccnc1 1458a_100000211969_200011713674 [1,0,1,0,0,0|1,0,1]=4 428 B17R1.1287 CCCCCCCC(=O)COc1ccccc1 1458a_100000186222_100000210614 [1,0,1,0,0,0|1,0,1]=4 429 B17R1.1287 CCCCCCCC(=O)COc1ccccn1 1458a_100102699861_100000210614 [1,0,1,0,0,0|1,0,1]=4 430 B17R1.1287 CCCCCCCC(=O)COc1cccnc1 1458a_100015207166_100000210614 [1,0,1,0,0,0|0,0,1]=3 431 B17R1.1287 CCCCCCCC(=O)CSc1ccccn1 1458a_100000156281_100000210614 [1,0,1,0,0,0|1,0,1]=4 432 B17R1.1287 CCCCCCCC(=O)NCc1ccccn1 11a_100000210449_100000211969 [1,0,1,0,0,0|2,0,0]=4 433 B17R1.1287 CCCCCCCC(=O)NCc1ccccn1 1626a_100000210449_100000211969 [1,0,1,0,0,0|2,0,0]=4 434 B17R1.1287 CCCCCCCC(=O)NCc1ccccn1 240690a_100000210449_100000211969 [1,0,1,0,0,0|2,0,0]=4 435 B17R1.1287 CCCCCCCC(=O)NCc1ccccn1 527a_100000210449_100000211969 [1,0,1,0,0,0|2,0,0]=4 436 B17R1.1287 CCCCCCCC(=O)NCc1cccnc1 11a_100000210453_100000211969 [1,0,1,0,0,0|2,0,0]=4 437 B17R1.1287 CCCCCCCC(=O)NCc1cccnc1 240690a_100000210453_100000211969 [1,0,1,0,0,0|2,0,0]=4 438 B17R1.1287 CCCCCCCC(=O)NCc1cccnc1 527a_100000210453_100000211969 [1,0,1,0,0,0|2,0,0]=4 439 B17R1.1287 CCCCCCCC(=O)NNc1ccccn1 22a_100000183288_100000211969 [1,0,1,0,0,0|1,0,1]=4 440 B17R1.1287 CCCCCCCC(=O)NNc1cccnc1 22a_100000728903_100000211969 [1,0,1,0,0,0|2,0,0]=4 441 B17R1.1287 CCCCCCNC(=O)C=Cc1ccccn1 11a_100000210581_100000740811 [1,0,1,0,0,0|2,0,0]=4 442 B17R1.1287 CCCCCCNC(=O)C=Cc1ccccn1 240690a_100000210581_100000740811 [1,0,1,0,0,0|2,0,0]=4 443 B17R1.1287 CCCCCCNC(=O)C=Cc1cccnc1 11a_100000210581_100000735890 [1,0,1,0,0,0|2,0,0]=4 444 B17R1.1287 CCCCCCNC(=O)C=Cc1cccnc1 240690a_100000210581_100000735890 [1,0,1,0,0,0|2,0,0]=4 445 B17R1.1287 CCCCCCNC(=O)COc1cccnc1 11a_100000210581_100015207166 [1,0,1,0,0,0|1,0,1]=4 446 B17R1.1287 CCCCCCNC(=O)COc1cccnc1 1626a_100000210581_100015207166 [1,0,1,0,0,0|1,0,1]=4 447 B17R1.1287 CCCCCCNC(=O)COc1cccnc1 240690a_100000210581_100015207166 [1,0,1,0,0,0|1,0,1]=4 448 B17R1.1287 CCCCCCNC(=O)COc1cccnc1 34a_100000210849_100000230325 [1,0,1,0,0,0|1,0,1]=4 449 B17R1.1287 CCCCCCNC(=O)COc1cccnc1 527a_100000210581_100015207166 [1,0,1,0,0,0|1,0,1]=4 450 B17R1.1287 CCCCCCNC(=O)COc1cccnc1 7a_100000210849_100000230325 [1,0,1,0,0,0|1,0,1]=4 451 B17R1.1287 CCCCOCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000743108 [1,0,1,0,0,0|2,0,0]=4 452 B17R1.1287 CCCCOCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000743108 [1,0,1,0,0,0|2,0,0]=4 453 B17R1.1287 CCCCOCCC(=O)COc1cccnc1 1458a_100015207166_100000743108 [1,0,1,0,0,0|1,0,1]=4 454 B17R1.1287 O=C(C=Cc1ccccn1)CCCCCCF 1458a_100000740811_100015922095 [1,0,1,0,0,0|2,0,0]=4 455 B17R1.1287 O=C(C=Cc1ccccn1)CCCCCCO 1458a_100000740811_100000766143 [1,0,1,0,0,0|2,0,0]=4 456 B17R1.1287 O=C(C=Cc1cccnc1)CCCCCCF 1458a_100000735890_100015922095 [1,0,1,0,0,0|2,0,0]=4 457 B17R1.1287 O=C(C=Cc1cccnc1)CCCCCCO 1458a_100000735890_100000766143 [1,0,1,0,0,0|2,0,0]=4 458 B17R1.1287 O=C(CCCCCCF)COc1cccnc1 1458a_100015207166_100015922095 [1,0,1,0,0,0|1,0,1]=4 459 B17R1.1287 O=C(CCCCCCO)COc1cccnc1 1458a_100015207166_100000766143 [1,0,1,0,0,0|1,0,1]=4 460 B17R1.1448 CCCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210757 [1,0,1,0,0,0|2,0,0]=4 461 B17R1.1448 CCCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210757 [1,0,1,0,0,0|2,0,0]=4 462 B17R1.5074 CCCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210757 [1,0,1,0,0,0|2,0,0]=4 463 B17R2.2569 CCCCCNCc1cc2ncccc2o1 207a_100000209983_100000104172 [2,0,0,0,0,0|2,0,0]=4 464 B17R2.2569 CCCCCNCc1cc2ncccc2o1 270004a_100000209983_100000104172 [2,0,0,0,0,0|2,0,0]=4 465 B17R2.2569 CCCCCNCc1nc2ccccc2o1 2230a_100000209983_100000195508 [2,0,0,0,0,0|2,0,0]=4 466 B17R2.2569 CCCCCNCc1nc2ncccc2o1 2230a_100000209983_100000696355 [2,0,0,0,0,0|1,0,0]=3 467 B17R2.2569 CCCCCOCc1nc2ccccc2o1 34a_100000210253_200012361514 [2,0,0,0,0,0|2,0,0]=4 468 B17R2.2569 CCCCCOCc1nc2ccccc2o1 7a_100000210253_100000195508 [2,0,0,0,0,0|2,0,0]=4 469 B17R2.2569 CCCCCOCc1nc2ncccc2o1 7a_100000210253_100000696355 [2,0,0,0,0,0|1,0,0]=3 470 B17R2.2569 CCCCCSCc1nc2ccccc2o1 62a_100000210326_100000195508 [2,0,0,0,0,0|2,0,0]=4 471 B17R2.2569 CCCCCSCc1nc2ncccc2o1 62a_100000210326_100000696355 [2,0,0,0,0,0|1,0,0]=3 472 B17R2.2569 CCOCCNCc1nc2ncccc2o1 2230a_102516460346_100000696355 [2,0,0,0,0,0|2,0,0]=4 473 B17R2.2569 CCOCCOCc1nc2ncccc2o1 7a_100000210136_100000696355 [2,0,0,0,0,0|2,0,0]=4 474 B17R2.2569 CCOCCSCc1nc2ncccc2o1 62a_100000210147_100000696355 [2,0,0,0,0,0|2,0,0]=4 475 B17R2.2569 CCSCCNCc1nc2ncccc2o1 2230a_100000106463_100000696355 [2,0,0,0,0,0|2,0,0]=4 476 B17R2.2569 CCSCCOCc1nc2ncccc2o1 7a_100000212035_100000696355 [2,0,0,0,0,0|2,0,0]=4 477 B17R2.2569 CCSCCSCc1nc2ncccc2o1 62a_100000757381_100000696355 [2,0,0,0,0,0|2,0,0]=4 478 B17R2.2569 COCCCSCc1nc2ncccc2o1 62a_100000709357_100000696355 [2,0,0,0,0,0|2,0,0]=4 479 B17R2.2569 CSCCCNCc1nc2ncccc2o1 2230a_100000749238_100000696355 [2,0,0,0,0,0|2,0,0]=4 480 B17R2.2569 CSCCCOCc1nc2ncccc2o1 7a_100000690336_100000696355 [2,0,0,0,0,0|2,0,0]=4 481 B17R2.2569 ClCCCCOCc1nc2ncccc2o1 7a_100000210776_100000696355 [2,0,0,0,0,0|2,0,0]=4 482 B17R2.2569 FCCCCOCc1nc2ncccc2o1 7a_100011995726_100000696355 [2,0,0,0,0,0|2,0,0]=4 483 B17R2.2569 FCCCCSCc1nc2ncccc2o1 62a_100000729493_100000696355 [2,0,0,0,0,0|2,0,0]=4 484 B17R2.2569 OCCCCNCc1nc2ncccc2o1 2230a_100000750430_100000696355 [2,0,0,0,0,0|2,0,0]=4 485 B17R2.2569 OCCCCSCc1nc2ncccc2o1 62a_100000210776_100000696355 [2,0,0,0,0,0|2,0,0]=4 486 B19R1.290 CCCCCCCC(=O)C(=O)Nc1ccc(cn1)Cl 1458a_100011297360_100000210614 [0,1,1,0,0,0|0,0,2]=4 487 B19R1.3768 C/C(=C\c1ccccn1)/C(=O)CCCCCCCO 1458a_100025712827_100000760002 [0,1,1,0,0,0|2,0,0]=4 488 B19R1.3768 CCCCCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210759 [0,1,1,0,0,0|2,0,0]=4 489 B19R1.3768 CCCCCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210759 [0,1,1,0,0,0|2,0,0]=4 490 B19R1.3768 CCCCCCCNC(=O)/C(=C/c1ccccn1)/C 11a_100000229938_100025712827 [0,1,1,0,0,0|2,0,0]=4 491 B19R1.3768 CCCCCCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000229938_100025712827 [0,1,1,0,0,0|2,0,0]=4 492 B19R1.3768 CCCCCCCNC(=O)/C(=C/c1ccccn1)/C 527a_100000229938_100025712827 [0,1,1,0,0,0|2,0,0]=4 493 B19R1.3768 CCCCCCCNC(=O)C(=Cc1cccnc1)F 11a_100000229938_100000731744 [0,1,1,0,0,0|2,0,0]=4 494 B19R1.3768 CCCCCCCNC(=O)C(=Cc1cccnc1)F 240690a_100000229938_100000731744 [0,1,1,0,0,0|2,0,0]=4 495 B19R1.3768 CCCCCCCNC(=O)C(=Cc1cccnc1)F 527a_100000229938_100000731744 [0,1,1,0,0,0|2,0,0]=4 496 B19R1.3768 COCCCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100011998445 [0,1,1,0,0,0|2,0,0]=4 497 B19R1.3768 COCCCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011998445 [0,1,1,0,0,0|2,0,0]=4 498 B19R1.3768 O=C(CCCCCCCO)C(=Cc1cccnc1)F 1458a_100000731744_100000760002 [0,1,1,0,0,0|2,0,0]=4 499 B19R1.4873 CCCCCCC(C)C(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100011215978 [0,1,1,0,0,0|2,0,0]=4 500 B19R1.4873 CCCCCCC(C)C(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011215978 [0,1,1,0,0,0|2,0,0]=4 501 B19R1.25921 C/C(=C\c1ccccn1)/C(=O)CCCCCC(C)C 1458a_100025712827_100000210682 [0,1,1,0,0,0|2,0,0]=4 502 B19R1.25921 CC(C)CCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210682 [0,1,1,0,0,0|2,0,0]=4 503 B19R1.8120 CCCCCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210759 [0,1,1,0,0,0|2,0,0]=4 504 B19R1.8120 COCCCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011998445 [0,1,1,0,0,0|2,0,0]=4 505 B19R1.8120 O=C(C=Cc1ccccc1O)CCCCCCCO 1458a_100016263591_100000760002 [0,1,1,0,0,0|2,0,0]=4 506 B19R1.10565 CC(C)CCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210682 [0,1,1,0,0,0|2,0,0]=4 507 B19R1.10951 CCCCCCCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000210614 [0,1,1,0,0,0|2,0,0]=4 508 B19R1.10951 CCCCCCCC(=O)C=Cc1cccnc1OC 1458a_100102601226_100000210614 [0,1,1,0,0,0|2,0,0]=4 509 B19R1.10951 CCCCCCCC(=O)NNc1ncccc1OC 22a_100012020716_100000211969 [0,1,1,0,0,0|1,0,1]=4 510 B19R1.10978 CCCCCCCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100000210596 [0,1,1,0,0,0|2,0,0]=4 511 B19R1.10978 CCCCCCCC(=O)C=Cc1ncc(cc1Br)Br 6a_100000688198_100000210596 [0,1,1,0,0,0|2,0,0]=4 512 B19R1.10978 CCCCCCCC(=O)C=Cc1ncc(cc1Br)Cl 6a_100010064872_100000210596 [0,1,1,0,0,0|2,0,0]=4 513 B19R1.10978 CCCCCCCC(=O)C=Cc1ncc(cc1C)Br 6a_100010185443_100000210596 [0,1,1,0,0,0|2,0,0]=4 514 B19R1.10978 CCCCCCCC(=O)C=Cc1ncc(cc1C)Cl 6a_200009887756_100000210596 [0,1,1,0,0,0|2,0,0]=4 515 B19R1.10978 CCCCCCCC(=O)C=Cc1ncc(cc1Cl)Br 6a_100009814801_100000210596 [0,1,1,0,0,0|2,0,0]=4 516 B19R1.10978 CCCCCCCC(=O)C=Cc1ncc(cc1Cl)Cl 6a_100011361609_100000210596 [0,1,1,0,0,0|2,0,0]=4 517 B19R1.10978 CCCCCCCC(=O)C=Cc1ncc(cc1F)Br 6a_100010180630_100000210596 [0,1,1,0,0,0|2,0,0]=4 518 B19R1.10978 CCCCCCCC(=O)C=Cc1ncc(cc1F)C 6a_100009845184_100000210596 [0,1,1,0,0,0|2,0,0]=4 519 B19R1.10978 CCCCCCCC(=O)C=Cc1ncc(cc1F)Cl 6a_100009858488_100000210596 [0,1,1,0,0,0|2,0,0]=4 520 B19R1.30125 CCCCCCC(C)C(=O)C=Cc1ccccc1O 1458a_100016263591_100011215978 [0,1,1,0,0,0|2,0,0]=4 521 B19R1.48081 CCCCCCCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100000210596 [0,1,1,0,0,0|2,0,0]=4 522 B19R2.1549 CCCCC(C)COCc1nc2ncccc2o1 7a_100011995851_100000696355 [1,1,0,0,0,0|1,0,1]=4 523 B19R2.2352 CCCCCC(C)NCc1nc2ncccc2o1 2230a_100000211957_100000696355 [1,1,0,0,0,0|1,0,1]=4 524 B19R2.2352 CCCCCC(C)OCc1nc2ncccc2o1 7a_100011215632_100000696355 [1,1,0,0,0,0|1,0,1]=4 525 B19R2.2352 CCCCCC(C)SCc1nc2ncccc2o1 62a_200011218191_100000696355 [1,1,0,0,0,0|1,0,1]=4 526 B19R2.10536 CCCC(C)CCOCc1nc2ncccc2o1 7a_100011217855_100000696355 [1,1,0,0,0,0|1,0,1]=4 527 B19R2.12592 CCC(C)CCCOCc1nc2ncccc2o1 7a_100011216074_100000696355 [1,1,0,0,0,0|1,0,1]=4 528 B19R2.13041 BrCCCCCCOCc1nc2ncccc2o1 7a_100011215345_100000696355 [1,1,0,0,0,0|1,0,1]=4 529 B19R2.13041 CCCCCCCC=Cc1cc2ccccc2o1 271570a_100134823654_100010159458 [1,1,0,0,0,0|2,0,0]=4 530 B19R2.13041 CCCCCCCC=Cc1cc2cccnc2[nH]1 271570a_100134823654_100010079843 [1,1,0,0,0,0|1,0,1]=4 531 B19R2.13041 CCCCCCCC=Cc1nc2ccccc2[nH]1 271570a_100134823654_100009814255 [1,1,0,0,0,0|2,0,0]=4 532 B19R2.13041 CCCCCCCC=Cc1nc2ccccc2s1 271570a_100134823654_100000751744 [1,1,0,0,0,0|1,1,0]=4 533 B19R2.13041 CCCCCCCC=Cc1nc2cccnc2s1 271570a_100134823654_100010188088 [1,1,0,0,0,0|2,0,0]=4 534 B19R2.13041 CCCCCCCNCc1cc2ncccc2o1 207a_100000229938_100000104172 [1,1,0,0,0,0|1,0,1]=4 535 B19R2.13041 CCCCCCCNCc1cc2ncccc2o1 270004a_100000229938_100000104172 [1,1,0,0,0,0|1,0,1]=4 536 B19R2.13041 CCCCCCCNCc1nc2ccccc2o1 2230a_100000229938_100000195508 [1,1,0,0,0,0|1,0,1]=4 537 B19R2.13041 CCCCCCCNCc1nc2ncccc2o1 2230a_100000229938_100000696355 [1,1,0,0,0,0|0,0,1]=3 538 B19R2.13041 CCCCCCCOCc1nc2ccccc2o1 34a_100000210272_200012361514 [1,1,0,0,0,0|1,0,1]=4 539 B19R2.13041 CCCCCCCOCc1nc2ccccc2o1 7a_100000210272_100000195508 [1,1,0,0,0,0|1,0,1]=4 540 B19R2.13041 CCCCCCCOCc1nc2ncccc2o1 7a_100000210272_100000696355 [1,1,0,0,0,0|0,0,1]=3 541 B19R2.13041 CCCCCCCSCc1nc2ccccc2o1 62a_100000210614_100000195508 [1,1,0,0,0,0|1,0,1]=4 542 B19R2.13041 CCCCCCCSCc1nc2ncccc2o1 62a_100000210614_100000696355 [1,1,0,0,0,0|0,0,1]=3 543 B19R2.13041 CCCCOCCOCc1nc2ncccc2o1 7a_100000210238_100000696355 [1,1,0,0,0,0|1,0,1]=4 544 B19R2.13041 CCCCOCCSCc1nc2ncccc2o1 62a_100000743108_100000696355 [1,1,0,0,0,0|1,0,1]=4 545 B19R2.13041 CCCCSCCNCc1nc2ncccc2o1 2230a_100025743550_100000696355 [1,1,0,0,0,0|1,0,1]=4 546 B19R2.13041 CCCCSCCOCc1nc2ncccc2o1 7a_200000230436_100000696355 [1,1,0,0,0,0|1,0,1]=4 547 B19R2.13041 CCCOCCCNCc1nc2ncccc2o1 2230a_100011217757_100000696355 [1,1,0,0,0,0|1,0,1]=4 548 B19R2.13041 COCCCCCNCc1nc2ncccc2o1 2230a_100000747528_100000696355 [1,1,0,0,0,0|1,0,1]=4 549 B19R2.13041 ClCCCCCCOCc1nc2ncccc2o1 7a_100000766143_100000696355 [1,1,0,0,0,0|1,0,1]=4 550 B19R2.13041 FCCCCCCOCc1nc2ncccc2o1 7a_100000732779_100000696355 [1,1,0,0,0,0|1,0,1]=4 551 B19R2.13041 FCCCCCCSCc1nc2ncccc2o1 62a_100015922095_100000696355 [1,1,0,0,0,0|1,0,1]=4 552 B19R2.13041 OCCCCCCNCc1nc2ncccc2o1 2230a_100000686447_100000696355 [1,1,0,0,0,0|1,0,1]=4 553 B19R2.13041 OCCCCCCSCc1nc2ncccc2o1 62a_100000766143_100000696355 [1,1,0,0,0,0|1,0,1]=4 554 B19R2.13487 CC(C)CCCCOCc1nc2ncccc2o1 7a_100011214890_100000696355 [1,1,0,0,0,0|1,0,1]=4 555 B19R2.13487 CC(C)CCCCSCc1nc2ncccc2o1 62a_100011216152_100000696355 [1,1,0,0,0,0|1,0,1]=4 556 B19R2.20961 CCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100102632555_100000696355 [1,1,0,0,0,0|0,0,2]=4 557 B19R2.20961 CCCCCCN(C)Cc1nc2ncccc2o1 2230a_106256046315_100000696355 [1,1,0,0,0,0|1,0,1]=4 558 B21R2.46770 CCCCCC(=O)CC(=O)Cc1nc2ccccc2o1 1458a_100015185861_200012276598 [0,1,0,0,0,1|1,0,1]=4 559 B21R2.67336 C#CCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000034748_100000195508 [0,1,0,0,0,1|1,0,1]=4 560 B21R2.67336 C#CCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100012276617 [0,1,0,0,0,1|1,0,1]=4 561 B21R2.67336 C#CCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000034748_100000696355 [0,1,0,0,0,1|0,0,1]=3 562 B21R2.67336 C=CCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100011809334_100000195508 [0,1,0,0,0,1|1,0,1]=4 563 B21R2.67336 C=CCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100011215473 [0,1,0,0,0,1|1,0,1]=4 564 B21R2.67336 C=CCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100011809334_100000696355 [0,1,0,0,0,1|0,0,1]=3 565 B21R2.67336 CCCCC/C=C/CC(=O)Cc1nc2ccccc2o1 1458a_100020675968_100000195508 [0,1,0,0,0,1|1,0,1]=4 566 B21R2.67336 CCCCC/C=C/CC(=O)Cc1nc2ncccc2o1 1458a_100020675968_100000696355 [0,1,0,0,0,1|0,0,1]=3 567 B21R2.67336 CCCCCC#CCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100009816472 [0,1,0,0,0,1|1,0,1]=4 568 B21R2.67336 CCCCCCC=CC(=O)Cc1nc2ccccc2o1 1458a_200015324643_100000195508 [0,1,0,0,0,1|1,0,1]=4 569 B21R2.67336 CCCCCCC=CC(=O)Cc1nc2ncccc2o1 1458a_200015324643_100000696355 [0,1,0,0,0,1|0,0,1]=3 570 B21R2.67336 CCCCCCCCC(=O)Cc1cc2ccccc2o1 1458a_100000735538_100000210759 [0,1,0,0,0,1|2,0,0]=4 571 B21R2.67336 CCCCCCCCC(=O)Cc1nc2ccccc2[nH]1 1458a_100000210188_100000737899 [0,1,0,0,0,1|2,0,0]=4 572 B21R2.67336 CCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000210188_100000195508 [0,1,0,0,0,1|1,0,0]=3 573 B21R2.67336 CCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100000210759 [0,1,0,0,0,1|1,0,0]=3 574 B21R2.67336 CCCCCCCCC(=O)Cc1nc2ccccc2s1 1458a_100000210188_100011217541 [0,1,0,0,0,1|1,1,0]=4 575 B21R2.67336 CCCCCCCCC(=O)Cc1nc2cccnc2[nH]1 1458a_100000210188_100011549802 [0,1,0,0,0,1|1,0,1]=4 576 B21R2.67336 CCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000210188_100000696355 [0,1,0,0,0,1|0,0,0]=2 577 B21R2.67336 CCCCCCCCN(C)Cc1nc2ncccc2o1 2230a_100000207567_100000696355 [0,1,0,0,0,1|2,0,0]=4 578 B21R2.67336 CCCCCCCNC(=O)Cc1cc2ccccc2o1 11a_100000229938_100000735538 [0,1,0,0,0,1|2,0,0]=4 579 B21R2.67336 CCCCCCCNC(=O)Cc1cc2ccccc2o1 240690a_100000229938_100000735538 [0,1,0,0,0,1|2,0,0]=4 580 B21R2.67336 CCCCCCCNC(=O)Cc1nc2ccccc2[nH]1 240690a_100000229938_100000188031 [0,1,0,0,0,1|2,0,0]=4 581 B21R2.67336 CCCCCCCNC(=O)Cc1nc2ccccc2s1 240690a_100000229938_100000747980 [0,1,0,0,0,1|1,1,0]=4 582 B21R2.67336 CCCCCCNCC(=O)Nc1nc2ccccc2[nH]1 2230a_100000210581_100011353410 [0,1,0,0,0,1|2,0,0]=4 583 B21R2.67336 CCCCCCNCC(=O)Nc1nc2ccccc2s1 2230a_100000210581_100000752643 [0,1,0,0,0,1|1,1,0]=4 584 B21R2.67336 CCCCCCOCC(=O)Nc1nc2ccccc2s1 7a_100000210259_100000752643 [0,1,0,0,0,1|1,1,0]=4 585 B21R2.67336 CCCCCNCCC(=O)Nc1nc2ccccc2s1 2230a_100000209983_200011213626 [0,1,0,0,0,1|1,1,0]=4 586 B21R2.67336 CCCCCOCCC(=O)Nc1nc2ccccc2s1 7a_100000210253_200011213626 [0,1,0,0,0,1|1,1,0]=4 587 B21R2.67336 CCOCCOCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100011211534 [0,1,0,0,0,1|2,0,0]=4 588 B21R2.67336 COCCCCCCC(=O)Cc1cc2ccccc2o1 1458a_100000735538_100011998445 [0,1,0,0,0,1|2,0,0]=4 589 B21R2.67336 COCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100011998445 [0,1,0,0,0,1|1,0,0]=3 590 B21R2.67336 COCCOCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100011216529 [0,1,0,0,0,1|2,0,0]=4 591 B21R2.67336 N#CCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100009813337 [0,1,0,0,0,1|1,0,1]=4 592 B21R2.67336 O=C(CCCCCCCO)Cc1cc2ccccc2o1 1458a_100000735538_100000760002 [0,1,0,0,0,1|2,0,0]=4 593 B21R2.67336 O=C(CCCCCCCO)Cc1nc2ccccc2[nH]1 1458a_100011219782_100000737899 [0,1,0,0,0,1|2,0,0]=4 594 B21R2.67336 O=C(CCCCCCCO)Cc1nc2ccccc2o1 1458a_100011219782_100000195508 [0,1,0,0,0,1|1,0,0]=3 595 B21R2.67336 O=C(CCCCCCCO)Cc1nc2ccccc2o1 1458a_100015185861_100000760002 [0,1,0,0,0,1|1,0,0]=3 596 B21R2.67336 O=C(CCCCCCCO)Cc1nc2ccccc2s1 1458a_100011219782_100011217541 [0,1,0,0,0,1|1,1,0]=4 597 B21R2.67336 O=C(CCCCCCCO)Cc1nc2cccnc2[nH]1 1458a_100011219782_100011549802 [0,1,0,0,0,1|1,0,1]=4 598 B21R2.67336 O=C(CCCCCCCO)Cc1nc2ncccc2o1 1458a_100011219782_100000696355 [0,1,0,0,0,1|0,0,0]=2 599 B21R2.67336 O=C(COCCOCCO)Cc1nc2ncccc2o1 1458a_106645077154_100000696355 [0,1,0,0,0,1|2,0,0]=4 600 B21R2.67336 [N-]=[N+]=NCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100009870042_100000696355 [0,1,0,0,0,1|2,0,0]=4 601 B21R2.111305 CCCCCCCC(=O)Cc1nc2ccccc2n1C 1458a_100000211969_100000748711 [0,1,0,0,0,1|2,0,0]=4 602 B21R2.255843 CC(C)CCCCCC(=O)Cc1cc2ccccc2o1 1458a_100000735538_100000210682 [0,1,0,0,0,1|2,0,0]=4 603 B21R2.255843 CC(C)CCCCCC(=O)Cc1nc2ccccc2[nH]1 1458a_100000766313_100000737899 [0,1,0,0,0,1|2,0,0]=4 604 B21R2.255843 CC(C)CCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000766313_100000195508 [0,1,0,0,0,1|1,0,0]=3 605 B21R2.255843 CC(C)CCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100000210682 [0,1,0,0,0,1|1,0,0]=3 606 B21R2.255843 CC(C)CCCCCC(=O)Cc1nc2ccccc2s1 1458a_100000766313_100011217541 [0,1,0,0,0,1|1,1,0]=4 607 B21R2.255843 CC(C)CCCCCC(=O)Cc1nc2cccnc2[nH]1 1458a_100000766313_100011549802 [0,1,0,0,0,1|1,0,1]=4 608 B21R2.255843 CC(C)CCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000766313_100000696355 [0,1,0,0,0,1|0,0,0]=2 609 B21R2.255843 O=C(CCCCC[N+](=O)[O-])Cc1nc2ncccc2o1 1458a_100000043470_100000696355 [0,1,0,0,0,1|2,0,0]=4 610 B21R2.260799 CCCCCCCN(CC)Cc1nc2ncccc2o1 2230a_100000228213_100000696355 [0,1,0,0,0,1|2,0,0]=4 611 B21R2.275468 CCCCCCCC(=O)Cc1nc2cc(ccc2[nH]1)Br 1458a_100000211969_100000701424 [0,1,0,0,0,1|2,0,0]=4 612 B21R2.275468 CCCCCCCC(=O)Cc1nc2cc(ccc2[nH]1)Cl 1458a_100000211969_100000179801 [0,1,0,0,0,1|2,0,0]=4 613 B21R2.275468 CCCCCCCC(=O)Cc1nc2cc(ccc2o1)Br 1458a_100000211969_100000730559 [0,1,0,0,0,1|1,0,0]=3 614 B21R2.275468 CCCCCCCC(=O)Cc1nc2cc(ccc2o1)C 1458a_100000211969_100011374149 [0,1,0,0,0,1|1,0,0]=3 615 B21R2.275468 CCCCCCCC(=O)Cc1nc2cc(ccc2o1)Cl 1458a_100000211969_100011222916 [0,1,0,0,0,1|1,0,0]=3 616 B21R2.275468 CCCCCCCC(=O)Cc1nc2cc(ccc2o1)F 1458a_100000211969_100000687093 [0,1,0,0,0,1|1,0,0]=3 617 B21R2.275468 CCCCCCCC(=O)Cc1nc2ccc(cc2[nH]1)C 1458a_100000211969_100020603265 [0,1,0,0,0,1|2,0,0]=4 618 B21R2.275468 CCCCCCCC(=O)Cc1nc2ccc(cc2[nH]1)F 1458a_100000211969_200011347187 [0,1,0,0,0,1|2,0,0]=4 619 B21R2.275468 CCCCCCCC(=O)Cc1nc2ccc(cc2o1)Br 1458a_100000211969_100000729449 [0,1,0,0,0,1|1,0,0]=3 620 B21R2.275468 CCCCCCCC(=O)Cc1nc2ccc(cc2o1)C 1458a_100000211969_100011295139 [0,1,0,0,0,1|1,0,0]=3 621 B21R2.275468 CCCCCCCC(=O)Cc1nc2ccc(cc2o1)F 1458a_100000211969_100000687025 [0,1,0,0,0,1|1,0,0]=3 622 B21R2.275468 COCCCCCC(=O)Cc1nc2cc(ccc2o1)Br 1458a_100011935119_100000730559 [0,1,0,0,0,1|2,0,0]=4 623 B21R2.275468 COCCCCCC(=O)Cc1nc2cc(ccc2o1)C 1458a_100011935119_100011374149 [0,1,0,0,0,1|2,0,0]=4 624 B21R2.275468 COCCCCCC(=O)Cc1nc2cc(ccc2o1)Cl 1458a_100011935119_100011222916 [0,1,0,0,0,1|2,0,0]=4 625 B21R2.275468 COCCCCCC(=O)Cc1nc2cc(ccc2o1)F 1458a_100011935119_100000687093 [0,1,0,0,0,1|2,0,0]=4 626 B21R2.275468 COCCCCCC(=O)Cc1nc2ccc(cc2o1)Br 1458a_100011935119_100000729449 [0,1,0,0,0,1|2,0,0]=4 627 B21R2.275468 COCCCCCC(=O)Cc1nc2ccc(cc2o1)C 1458a_100011935119_100011295139 [0,1,0,0,0,1|2,0,0]=4 628 B21R2.275468 COCCCCCC(=O)Cc1nc2ccc(cc2o1)F 1458a_100011935119_100000687025 [0,1,0,0,0,1|2,0,0]=4 629 B21R2.275468 Cc1ccc2nc(oc2c1)CC(=O)CCCCCCO 1458a_100011996774_100011295139 [0,1,0,0,0,1|2,0,0]=4 630 B21R2.275468 Cc1ccc2oc(nc2c1)CC(=O)CCCCCCO 1458a_100011996774_100011374149 [0,1,0,0,0,1|2,0,0]=4 631 B21R2.275468 O=C(CCCCCCO)Cc1nc2cc(ccc2o1)Br 1458a_100011996774_100000730559 [0,1,0,0,0,1|2,0,0]=4 632 B21R2.275468 O=C(CCCCCCO)Cc1nc2cc(ccc2o1)Cl 1458a_100011996774_100011222916 [0,1,0,0,0,1|2,0,0]=4 633 B21R2.275468 O=C(CCCCCCO)Cc1nc2cc(ccc2o1)F 1458a_100011996774_100000687093 [0,1,0,0,0,1|2,0,0]=4 634 B21R2.275468 O=C(CCCCCCO)Cc1nc2ccc(cc2o1)Br 1458a_100011996774_100000729449 [0,1,0,0,0,1|2,0,0]=4 635 B21R2.275468 O=C(CCCCCCO)Cc1nc2ccc(cc2o1)F 1458a_100011996774_100000687025 [0,1,0,0,0,1|2,0,0]=4 636 B21R2.275473 CCCCCCCC(=O)Cc1nc2c(cccc2o1)C 1458a_100000211969_100011397728 [0,1,0,0,0,1|1,0,0]=3 637 B21R2.275473 CCCCCCCC(=O)Cc1nc2c(ccnc2[nH]1)C 1458a_100000211969_200000699823 [0,1,0,0,0,1|1,0,1]=4 638 B21R2.275473 COCCCCCC(=O)Cc1nc2c(cccc2o1)C 1458a_100011935119_100011397728 [0,1,0,0,0,1|2,0,0]=4 639 B21R2.275473 Cc1cccc2c1nc(o2)CC(=O)CCCCCCO 1458a_100011996774_100011397728 [0,1,0,0,0,1|2,0,0]=4 640 B21R2.278445 CCCCC(C)CCC(=O)Cc1nc2ccccc2[nH]1 1458a_100000033779_100000737899 [0,1,0,0,0,1|2,0,0]=4 641 B21R2.278445 CCCCC(C)CCC(=O)Cc1nc2ccccc2o1 1458a_100000033779_100000195508 [0,1,0,0,0,1|1,0,0]=3 642 B21R2.278445 CCCCC(C)CCC(=O)Cc1nc2ccccc2s1 1458a_100000033779_100011217541 [0,1,0,0,0,1|1,1,0]=4 643 B21R2.278445 CCCCC(C)CCC(=O)Cc1nc2cccnc2[nH]1 1458a_100000033779_100011549802 [0,1,0,0,0,1|1,0,1]=4 644 B21R2.278445 CCCCC(C)CCC(=O)Cc1nc2ncccc2o1 1458a_100000033779_100000696355 [0,1,0,0,0,1|0,0,0]=2 645 B21R2.278445 CCCNC(=O)CCC(=O)Cc1nc2ncccc2o1 1458a_100000199543_100000696355 [0,1,0,0,0,1|1,0,1]=4 646 B21R2.278445 COCCN(C)CCC(=O)Cc1nc2ncccc2o1 1458a_200103286627_100000696355 [0,1,0,0,0,1|2,0,0]=4 647 B21R2.279765 CCCCCCC(C)C(=O)Cc1cc2ccccc2o1 1458a_100000735538_100011215978 [0,1,0,0,0,1|2,0,0]=4 648 B21R2.279765 CCCCCCC(C)C(=O)Cc1nc2ccccc2o1 1458a_100015185861_100011215978 [0,1,0,0,0,1|1,0,0]=3 649 B21R2.279765 CCCCCCC(O)C(=O)Cc1nc2ccccc2[nH]1 1458a_100011215828_100000737899 [0,1,0,0,0,1|2,0,0]=4 650 B21R2.279765 CCCCCCC(O)C(=O)Cc1nc2ccccc2o1 1458a_100011215828_100000195508 [0,1,0,0,0,1|1,0,0]=3 651 B21R2.279765 CCCCCCC(O)C(=O)Cc1nc2ccccc2s1 1458a_100011215828_100011217541 [0,1,0,0,0,1|1,1,0]=4 652 B21R2.279765 CCCCCCC(O)C(=O)Cc1nc2cccnc2[nH]1 1458a_100011215828_100011549802 [0,1,0,0,0,1|1,0,1]=4 653 B21R2.279765 CCCCCCC(O)C(=O)Cc1nc2ncccc2o1 1458a_100011215828_100000696355 [0,1,0,0,0,1|0,0,0]=2 654 B21R2.279765 CCOCCOC(C)C(=O)Cc1nc2ncccc2o1 1458a_100000743585_100000696355 [0,1,0,0,0,1|2,0,0]=4 655 B21R2.314037 CCNC(=O)CCCC(=O)Cc1nc2ncccc2o1 1458a_100000199580_100000696355 [0,1,0,0,0,1|1,0,1]=4 656 B21R2.314037 CCOC(=O)CCCC(=O)Cc1nc2ncccc2o1 1458a_100000210991_100000696355 [0,1,0,0,0,1|1,0,1]=4 657 B21R2.373581 COC(=O)CCCCC(=O)Cc1nc2ncccc2o1 1458a_100000695723_100000696355 [0,1,0,0,0,1|1,0,1]=4 658 B21R2.67369 CCCCCCCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210759 [0,1,0,0,0,1|2,0,0]=4 659 B21R2.67369 CCCCCCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210759 [0,1,0,0,0,1|2,0,0]=4 660 B21R2.67369 CCCCCCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210759 [0,1,0,0,0,1|2,0,0]=4 661 B21R2.67369 CCCCCCCNC(=O)C1=Cc2ccccc2OC1 11a_100000229938_100000018039 [0,1,0,0,0,1|2,0,0]=4 662 B21R2.67369 CCCCCCCNC(=O)C1=Cc2ccccc2OC1 1626a_100000229938_100000018039 [0,1,0,0,0,1|2,0,0]=4 663 B21R2.67369 CCCCCCCNC(=O)C1=Cc2ccccc2OC1 240690a_100000229938_100000018039 [0,1,0,0,0,1|2,0,0]=4 664 B21R2.67369 CCCCCCCNC(=O)C1=Cc2ccccc2OC1 527a_100000229938_100000018039 [0,1,0,0,0,1|2,0,0]=4 665 B21R2.67369 CCCCCCCNC(=O)c1ccc2cccnc2c1 11a_100000229938_100011933907 [0,1,0,0,0,1|2,0,0]=4 666 B21R2.67369 CCCCCCCNC(=O)c1ccc2cccnc2c1 1626a_100000229938_100011933907 [0,1,0,0,0,1|2,0,0]=4 667 B21R2.67369 CCCCCCCNC(=O)c1ccc2cccnc2c1 240690a_100000229938_100011933907 [0,1,0,0,0,1|2,0,0]=4 668 B21R2.67369 CCCCCCCNC(=O)c1ccc2cccnc2c1 527a_100000229938_100011933907 [0,1,0,0,0,1|2,0,0]=4 669 B21R2.67369 CCCCCCCNC(=O)c1ccc2ncccc2c1 11a_100000229938_100011216044 [0,1,0,0,0,1|2,0,0]=4 670 B21R2.67369 CCCCCCCNC(=O)c1ccc2ncccc2c1 1626a_100000229938_100011216044 [0,1,0,0,0,1|2,0,0]=4 671 B21R2.67369 CCCCCCCNC(=O)c1ccc2ncccc2c1 240690a_100000229938_100011216044 [0,1,0,0,0,1|2,0,0]=4 672 B21R2.67369 CCCCCCCNC(=O)c1ccc2ncccc2c1 527a_100000229938_100011216044 [0,1,0,0,0,1|2,0,0]=4 673 B21R2.67369 COCCCCCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100011998445 [0,1,0,0,0,1|2,0,0]=4 674 B21R2.67369 COCCCCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100011998445 [0,1,0,0,0,1|2,0,0]=4 675 B21R2.67369 COCCCCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100011998445 [0,1,0,0,0,1|2,0,0]=4 676 B21R2.67369 O=C(CCCCCCCO)C1=Cc2ccccc2OC1 1458a_100000018039_100000760002 [0,1,0,0,0,1|2,0,0]=4 677 B21R2.67369 O=C(CCCCCCCO)c1ccc2cccnc2c1 1458a_100011933907_100000760002 [0,1,0,0,0,1|2,0,0]=4 678 B21R2.67369 O=C(CCCCCCCO)c1ccc2ncccc2c1 1458a_100011216044_100000760002 [0,1,0,0,0,1|2,0,0]=4 679 B21R2.111338 CCCCCCCC(=O)C1=Cc2cc(ccc2OC1)Br 1458a_100000735388_100000210614 [0,1,0,0,0,1|2,0,0]=4 680 B21R2.111338 CCCCCCCC(=O)C1=Cc2cc(ccc2OC1)Cl 1458a_100000020880_100000210614 [0,1,0,0,0,1|2,0,0]=4 681 B21R2.111338 CCCCCCCC(=O)c1ccc2ncc(cc2c1)Br 1458a_100010130286_100000210614 [0,1,0,0,0,1|2,0,0]=4 682 B21R2.111346 CCCCCCCC(=O)c1ccc2nccc(c2c1)Br 1458a_200010240029_100000210614 [0,1,0,0,0,1|2,0,0]=4 683 B21R2.111366 CCCCCCCC(=O)c1ccc2cccnc2c1O 1458a_100000036822_100000210614 [0,1,0,0,0,1|2,0,0]=4 684 B21R2.255856 CC(C)CCCCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210682 [0,1,0,0,0,1|2,0,0]=4 685 B21R2.255856 CC(C)CCCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210682 [0,1,0,0,0,1|2,0,0]=4 686 B21R2.255856 CC(C)CCCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210682 [0,1,0,0,0,1|2,0,0]=4 687 B21R2.279798 CCCCCCC(C)C(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100011215978 [0,1,0,0,0,1|2,0,0]=4 688 B21R2.279798 CCCCCCC(C)C(=O)c1ccc2cccnc2c1 1458a_100011933907_100011215978 [0,1,0,0,0,1|2,0,0]=4 689 B21R2.279798 CCCCCCC(C)C(=O)c1ccc2ncccc2c1 1458a_100011216044_100011215978 [0,1,0,0,0,1|2,0,0]=4 690 B21R2.3306224 CCCCCCCC(=O)c1ccc2nc(ccc2c1)C 1458a_100000691375_100000210614 [0,1,0,0,0,1|2,0,0]=4 691 B21R2.3306224 CCCCCCCC(=O)c1ccc2nc(ccc2c1)Cl 1458a_100000740145_100000210614 [0,1,0,0,0,1|2,0,0]=4 692 B21R2.3306224 CCCCCCCC(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_100000210614 [0,1,0,0,0,1|2,0,0]=4 693 B21R2.3306322 CCCCCCCC(=O)c1cc(c2ncccc2c1)O 1458a_200009880037_100000210614 [0,1,0,0,0,1|2,0,0]=4 694 B21R2.12609219 CCCCCCCC(=O)c1ccc2c(ccnc2c1)Cl 1458a_100010240032_100000210614 [0,1,0,0,0,1|2,0,0]=4 695 B21R2.264786 CCCCCCC(=O)CC(=O)c1cc2ccccc2o1 1458a_100102632555_100000209828 [0,2,0,0,0,0|2,0,0]=4 696 B21R2.264786 CCCCCCN(C)CC(=O)c1cc2ccccc2o1 269982a_106256046315_100000209828 [0,2,0,0,0,0|2,0,0]=4 697 B21R2.264786 CCCCCCN(C)CC(=O)c1nc2ccccc2s1 2230a_106256046315_100000198972 [0,2,0,0,0,0|1,1,0]=4 698 B21R2.264786 CCCCCCN(C)CC(=O)c1nc2ccccc2s1 269982a_106256046315_100000198972 [0,2,0,0,0,0|1,1,0]=4 699 B21R2.67357 CCCCCCOCC(=O)c1cc2cc(ccc2o1)Br 34a_100000210259_100010170448 [0,2,0,0,0,0|2,0,0]=4 700 B21R2.67357 CCCCCCSCC(=O)c1cc2cc(ccc2o1)Br 62a_100000210314_100010170448 [0,2,0,0,0,0|2,0,0]=4 701 B21R2.67359 CCCCCCNCC(=O)c1oc2ccccc2c1C 2230a_100000210581_100000684729 [0,2,0,0,0,0|2,0,0]=4 702 B21R2.67359 CCCCCCSCC(=O)c1oc2ccccc2c1C 62a_100000210314_100000684729 [0,2,0,0,0,0|2,0,0]=4 703 B21R2.257473 CC(C)CCCCSCC(=O)c1cc2ccccc2o1 62a_100011216152_100000209828 [0,2,0,0,0,0|2,0,0]=4 704 B21R2.257473 CC(C)CCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100011216152 [0,2,0,0,0,0|1,1,0]=4 705 B21R2.282343 CCCCCCC=NNC(=O)c1nc2ccccc2o1 4a_200000092613_100000234349 [0,2,0,0,0,0|1,0,1]=4 706 B21R2.282343 CCCCCCCNCC(=O)c1nc2ccccc2s1 2230a_100000229938_100000198972 [0,2,0,0,0,0|1,1,0]=4 707 B21R2.282343 CCCCCCCSCC(=O)c1cc2ccccc2o1 62a_100000210614_100000209828 [0,2,0,0,0,0|2,0,0]=4 708 B21R2.282343 CCCCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000210316 [0,2,0,0,0,0|1,1,0]=4 709 B21R2.282343 CCCCOCCSCC(=O)c1cc2ccccc2o1 62a_100000743108_100000209828 [0,2,0,0,0,0|2,0,0]=4 710 B21R2.282343 CCCCOCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000743108 [0,2,0,0,0,0|1,1,0]=4 711 B21R2.282343 CCCCSCCNCC(=O)c1nc2ccccc2s1 2230a_100025743550_100000198972 [0,2,0,0,0,0|1,1,0]=4 712 B21R2.282343 CCCOCCCNCC(=O)c1nc2ccccc2s1 2230a_100011217757_100000198972 [0,2,0,0,0,0|1,1,0]=4 713 B21R2.282343 COCCCCCNCC(=O)c1nc2ccccc2s1 2230a_100000747528_100000198972 [0,2,0,0,0,0|1,1,0]=4 714 B21R2.282343 O=C(CNCCCCCCO)c1nc2ccccc2s1 2230a_100000686447_100000198972 [0,2,0,0,0,0|1,1,0]=4 715 B21R2.282343 O=C(CSCCCCCCF)c1cc2ccccc2o1 62a_100015922095_100000209828 [0,2,0,0,0,0|2,0,0]=4 716 B21R2.282343 O=C(CSCCCCCCF)c1nc2ccccc2s1 62a_100000198972_100015922095 [0,2,0,0,0,0|1,1,0]=4 717 B21R2.282343 O=C(CSCCCCCCO)c1cc2ccccc2o1 62a_100000766143_100000209828 [0,2,0,0,0,0|2,0,0]=4 718 B21R2.282343 O=C(CSCCCCCCO)c1nc2ccccc2s1 62a_100000198972_100000766143 [0,2,0,0,0,0|1,1,0]=4 719 B21R2.396871 CCCCCC(C)NCC(=O)c1nc2ccccc2s1 2230a_100000211957_100000198972 [0,2,0,0,0,0|1,1,0]=4 720 B21R2.396871 CCCCCC(C)SCC(=O)c1cc2ccccc2o1 62a_200011218191_100000209828 [0,2,0,0,0,0|2,0,0]=4 721 B21R2.396871 CCCCCC(C)SCC(=O)c1nc2ccccc2s1 62a_100000198972_200011218191 [0,2,0,0,0,0|1,1,0]=4 722 B19R2.8924 C/C(=C\c1ccccn1)/C(=O)CC2CCCCC2 1458a_100025712827_100000211423 [0,0,1,1,0,0|2,0,0]=4 723 B19R2.8924 O=C(CC1CCCCC1)C(=Cc2cccnc2)F 1458a_100000731744_100000211423 [0,0,1,1,0,0|2,0,0]=4 724 B19R2.16166 C/C(=C\c1ccccn1)/C(=O)CCC2CCCC2 1458a_100025712827_100000760354 [0,0,1,1,0,0|2,0,0]=4 725 B19R2.16166 O=C(CCC1CCCC1)C(=Cc2cccnc2)F 1458a_100000731744_100000760354 [0,0,1,1,0,0|2,0,0]=4 726 B19R2.1035080 C/C(=C\c1ccccn1)/C(=O)C2CCCCCC2 1458a_100025712827_100011217769 [0,0,1,1,0,0|2,0,0]=4 727 B19R2.1035080 O=C(C(=Cc1cccnc1)F)C2CCCCCC2 1458a_100000731744_100011217769 [0,0,1,1,0,0|2,0,0]=4 728 B19R2.4482 O=C(C=Cc1ccccc1O)CC2CCCCC2 1458a_100016263591_100000211423 [0,0,1,1,0,0|2,0,0]=4 729 B19R2.4488 O=C(C=Cc1ccccc1O)CCC2CCCC2 1458a_100016263591_100000760354 [0,0,1,1,0,0|2,0,0]=4 730 B19R2.503619 O=C(C=Cc1ccccc1O)C2CCCCCC2 1458a_100016263591_100011217769 [0,0,1,1,0,0|2,0,0]=4 731 B19R3.19192 c1cnc2nc(oc2c1)CNCC3CCCC3 2230a_100000737975_100000696355 [1,0,0,1,0,0|1,0,1]=4 732 B19R3.19192 c1cnc2nc(oc2c1)COCC3CCCC3 7a_100000742336_100000696355 [1,0,0,1,0,0|1,0,1]=4 733 B19R3.19192 c1cnc2nc(oc2c1)CSCC3CCCC3 62a_100000740388_100000696355 [1,0,0,1,0,0|1,0,1]=4 734 B19R3.19255 c1cnc2nc(oc2c1)CNC3CCCCC3 2230a_100000182618_100000696355 [1,0,0,1,0,0|1,0,1]=4 735 B19R3.19255 c1cnc2nc(oc2c1)COC3CCCCC3 7a_100000210231_100000696355 [1,0,0,1,0,0|1,0,1]=4 736 B19R3.19255 c1cnc2nc(oc2c1)CSC3CCCCC3 62a_100000210327_100000696355 [1,0,0,1,0,0|1,0,1]=4 737 B19R3.61636 CC1CCCC1OCc2nc3ncccc3o2 7a_100011216460_100000696355 [1,0,0,1,0,0|1,0,1]=4 738 B19R3.171030 CC1CCCCN1Cc2nc3ncccc3o2 2230a_100000211376_100000696355 [1,0,0,1,0,0|1,0,1]=4 739 B19R3.274609 CCC1CCCN1Cc2nc3ncccc3o2 2230a_100000754278_100000696355 [1,0,0,1,0,0|1,0,1]=4 740 B19R3.1671973 c1cnc2nc(oc2c1)CN3CCCCCC3 2230a_100000185865_100000696355 [1,0,0,1,0,0|1,0,1]=4 741 B21R3.520681 CN(Cc1nc2ncccc2o1)CC3CCCCC3 2230a_100000736448_100000696355 [0,0,0,1,0,1|2,0,0]=4 742 B21R3.520681 O=C(C=C1CCCCC1)Cc2nc3ncccc3o2 1458a_100000743792_100000696355 [0,0,0,1,0,1|0,0,2]=4 743 B21R3.520681 O=C(CC1=CCCCC1)Cc2nc3ncccc3o2 1458a_100000039269_100000696355 [0,0,0,1,0,1|0,0,2]=4 744 B21R3.520681 O=C(Cc1cc2ccccc2o1)CC3CCCCC3 1458a_100000735538_100000211423 [0,0,0,1,0,1|2,0,0]=4 745 B21R3.520681 O=C(Cc1nc2ccccc2[nH]1)CC3CCCCC3 1458a_100000211666_100000737899 [0,0,0,1,0,1|2,0,0]=4 746 B21R3.520681 O=C(Cc1nc2ccccc2o1)CC3CCCCC3 1458a_100000211666_100000195508 [0,0,0,1,0,1|1,0,0]=3 747 B21R3.520681 O=C(Cc1nc2ccccc2o1)CC3CCCCC3 1458a_100015185861_100000211423 [0,0,0,1,0,1|1,0,0]=3 748 B21R3.520681 O=C(Cc1nc2ccccc2o1)CC3CCCCO3 1458a_100000238585_100000195508 [0,0,0,1,0,1|2,0,0]=4 749 B21R3.520681 O=C(Cc1nc2ccccc2o1)CC3CCCCO3 1458a_100015185861_100000211543 [0,0,0,1,0,1|2,0,0]=4 750 B21R3.520681 O=C(Cc1nc2ccccc2o1)CC3CCCOC3 1458a_100000741523_100000195508 [0,0,0,1,0,1|2,0,0]=4 751 B21R3.520681 O=C(Cc1nc2ccccc2o1)CC3CCCOC3 1458a_100015185861_100000741521 [0,0,0,1,0,1|2,0,0]=4 752 B21R3.520681 O=C(Cc1nc2ccccc2o1)CC3CCOCC3 1458a_100000757261_100000195508 [0,0,0,1,0,1|2,0,0]=4 753 B21R3.520681 O=C(Cc1nc2ccccc2o1)CC3CCOCC3 1458a_100015185861_100000754603 [0,0,0,1,0,1|2,0,0]=4 754 B21R3.520681 O=C(Cc1nc2ccccc2o1)CN3CCCCC3 1458a_100000740322_100000195508 [0,0,0,1,0,1|2,0,0]=4 755 B21R3.520681 O=C(Cc1nc2ccccc2s1)CC3CCCCC3 1458a_100000211666_100011217541 [0,0,0,1,0,1|1,1,0]=4 756 B21R3.520681 O=C(Cc1nc2cccnc2[nH]1)CC3CCCCC3 1458a_100000211666_100011549802 [0,0,0,1,0,1|1,0,1]=4 757 B21R3.520681 O=C(Cc1nc2ncccc2o1)CC3CCCCC3 1458a_100000211666_100000696355 [0,0,0,1,0,1|0,0,0]=2 758 B21R3.520681 O=C(Cc1nc2ncccc2o1)CC3CCCCO3 1458a_100000238585_100000696355 [0,0,0,1,0,1|1,0,0]=3 759 B21R3.520681 O=C(Cc1nc2ncccc2o1)CC3CCCOC3 1458a_100000741523_100000696355 [0,0,0,1,0,1|1,0,0]=3 760 B21R3.520681 O=C(Cc1nc2ncccc2o1)CC3CCOCC3 1458a_100000757261_100000696355 [0,0,0,1,0,1|1,0,0]=3 761 B21R3.520681 O=C(Cc1nc2ncccc2o1)CN3CCCCC3 1458a_100000740322_100000696355 [0,0,0,1,0,1|1,0,0]=3 762 B21R3.520681 O=C(Cc1nc2ncccc2o1)CN3CCOCC3 1458a_100000740321_100000696355 [0,0,0,1,0,1|2,0,0]=4 763 B21R3.2974419 CCN1CCCC1C(=O)Cc2nc3ccccc3o2 1458a_106256033941_100000195508 [0,0,0,1,0,1|2,0,0]=4 764 B21R3.2974419 CCN1CCCC1C(=O)Cc2nc3ncccc3o2 1458a_106256033941_100000696355 [0,0,0,1,0,1|1,0,0]=3 765 B21R3.3965166 CC1CCCCC1C(=O)Cc2nc3ccccc3[nH]2 1458a_100011215568_100000737899 [0,0,0,1,0,1|2,0,0]=4 766 B21R3.3965166 CC1CCCCC1C(=O)Cc2nc3ccccc3o2 1458a_100011215568_100000195508 [0,0,0,1,0,1|1,0,0]=3 767 B21R3.3965166 CC1CCCCC1C(=O)Cc2nc3ccccc3s2 1458a_100011215568_100011217541 [0,0,0,1,0,1|1,1,0]=4 768 B21R3.3965166 CC1CCCCC1C(=O)Cc2nc3cccnc3[nH]2 1458a_100011215568_100011549802 [0,0,0,1,0,1|1,0,1]=4 769 B21R3.3965166 CC1CCCCC1C(=O)Cc2nc3ncccc3o2 1458a_100011215568_100000696355 [0,0,0,1,0,1|0,0,0]=2 770 B21R3.3965166 CN1CCCC[C@@H]1C(=O)Cc2nc3ccccc3o2 1458a_100000767060_100000195508 [0,0,0,1,0,1|2,0,0]=4 771 B21R3.3965166 CN1CCCC[C@@H]1C(=O)Cc2nc3ncccc3o2 1458a_100000767060_100000696355 [0,0,0,1,0,1|1,0,0]=3 772 B21R3.3965166 O=C(Cc1nc2ccccc2o1)C3CCCCC3O 1458a_100011803323_100000195508 [0,0,0,1,0,1|2,0,0]=4 773 B21R3.3965166 O=C(Cc1nc2ncccc2o1)C3CCCCC3O 1458a_100011803323_100000696355 [0,0,0,1,0,1|1,0,0]=3 774 B21R3.4065989 c1cnc2nc(oc2c1)CN3CCCCCCCC3 2230a_100000039187_100000696355 [0,0,0,1,0,1|2,0,0]=4 775 B21R3.8008928 CN(Cc1nc2ncccc2o1)C3CCCCCC3 2230a_100015185097_100000696355 [0,0,0,1,0,1|2,0,0]=4 776 B21R3.8008928 O=C(Cc1cc2ccccc2o1)C3CCCCCC3 1458a_100000735538_100011217769 [0,0,0,1,0,1|2,0,0]=4 777 B21R3.8008928 O=C(Cc1nc2ccccc2[nH]1)C3CCCCCC3 1458a_100000749507_100000737899 [0,0,0,1,0,1|2,0,0]=4 778 B21R3.8008928 O=C(Cc1nc2ccccc2o1)C3CCCCCC3 1458a_100000749507_100000195508 [0,0,0,1,0,1|1,0,0]=3 779 B21R3.8008928 O=C(Cc1nc2ccccc2o1)C3CCCCCC3 1458a_100015185861_100011217769 [0,0,0,1,0,1|1,0,0]=3 780 B21R3.8008928 O=C(Cc1nc2ccccc2s1)C3CCCCCC3 1458a_100000749507_100011217541 [0,0,0,1,0,1|1,1,0]=4 781 B21R3.8008928 O=C(Cc1nc2cccnc2[nH]1)C3CCCCCC3 1458a_100000749507_100011549802 [0,0,0,1,0,1|1,0,1]=4 782 B21R3.8008928 O=C(Cc1nc2ncccc2o1)C3CCC=CCC3 1458a_100000048548_100000696355 [0,0,0,1,0,1|0,0,2]=4 783 B21R3.8008928 O=C(Cc1nc2ncccc2o1)C3CCCCCC3 1458a_100000749507_100000696355 [0,0,0,1,0,1|0,0,0]=2 784 B21R3.12044519 O=C(CCC1CCCC1)Cc2cc3ccccc3o2 1458a_100000735538_100000760354 [0,0,0,1,0,1|2,0,0]=4 785 B21R3.12044519 O=C(CCC1CCCC1)Cc2nc3ccccc3[nH]2 1458a_100000211120_100000737899 [0,0,0,1,0,1|2,0,0]=4 786 B21R3.12044519 O=C(CCC1CCCC1)Cc2nc3ccccc3o2 1458a_100000211120_100000195508 [0,0,0,1,0,1|1,0,0]=3 787 B21R3.12044519 O=C(CCC1CCCC1)Cc2nc3ccccc3o2 1458a_100015185861_100000760354 [0,0,0,1,0,1|1,0,0]=3 788 B21R3.12044519 O=C(CCC1CCCC1)Cc2nc3ccccc3s2 1458a_100000211120_100011217541 [0,0,0,1,0,1|1,1,0]=4 789 B21R3.12044519 O=C(CCC1CCCC1)Cc2nc3cccnc3[nH]2 1458a_100000211120_100011549802 [0,0,0,1,0,1|1,0,1]=4 790 B21R3.12044519 O=C(CCC1CCCC1)Cc2nc3ncccc3o2 1458a_100000211120_100000696355 [0,0,0,1,0,1|0,0,0]=2 791 B21R3.12044519 O=C(CCC1CCCO1)Cc2nc3ccccc3o2 1458a_100011247709_100000195508 [0,0,0,1,0,1|2,0,0]=4 792 B21R3.12044519 O=C(CCC1CCCO1)Cc2nc3ncccc3o2 1458a_100011247709_100000696355 [0,0,0,1,0,1|1,0,0]=3 793 B21R3.12044519 O=C(CCC1OCCO1)Cc2nc3ncccc3o2 1458a_100000082924_100000696355 [0,0,0,1,0,1|2,0,0]=4 794 B21R3.12044519 O=C(CCN1CCCC1)Cc2nc3ccccc3o2 1458a_100000738983_100000195508 [0,0,0,1,0,1|2,0,0]=4 795 B21R3.12044519 O=C(CCN1CCCC1)Cc2nc3ccccc3o2 1458a_100015185861_100000004467 [0,0,0,1,0,1|2,0,0]=4 796 B21R3.12044519 O=C(CCN1CCCC1)Cc2nc3ncccc3o2 1458a_100000738983_100000696355 [0,0,0,1,0,1|1,0,0]=3 797 B21R3.12044519 O=C(CCN1CCCO1)Cc2nc3ncccc3o2 1458a_200015187630_100000696355 [0,0,0,1,0,1|2,0,0]=4 798 B21R3.12044519 O=C(COC1CCCC1)Cc2nc3ccccc3o2 1458a_100000741352_100000195508 [0,0,0,1,0,1|2,0,0]=4 799 B21R3.12044519 O=C(COC1CCCC1)Cc2nc3ncccc3o2 1458a_100000741352_100000696355 [0,0,0,1,0,1|1,0,0]=3 800 B21R3.24438 O=C(CC1CCCCC1)C2=Cc3ccccc3OC2 1458a_100000018039_100000211423 [0,0,0,1,0,1|2,0,0]=4 801 B21R3.24438 O=C(CC1CCCCC1)c2ccc3cccnc3c2 1458a_100011933907_100000211423 [0,0,0,1,0,1|2,0,0]=4 802 B21R3.24438 O=C(CC1CCCCC1)c2ccc3ncccc3c2 1458a_100011216044_100000211423 [0,0,0,1,0,1|2,0,0]=4 803 B21R3.900821 O=C(C1=Cc2ccccc2OC1)C3CCCCCC3 1458a_100000018039_100011217769 [0,0,0,1,0,1|2,0,0]=4 804 B21R3.900821 O=C(c1ccc2cccnc2c1)C3CCCCCC3 1458a_100011933907_100011217769 [0,0,0,1,0,1|2,0,0]=4 805 B21R3.900821 O=C(c1ccc2ncccc2c1)C3CCCCCC3 1458a_100011216044_100011217769 [0,0,0,1,0,1|2,0,0]=4 806 B21R3.2280498 O=C(CCC1CCCC1)C2=Cc3ccccc3OC2 1458a_100000018039_100000760354 [0,0,0,1,0,1|2,0,0]=4 807 B21R3.2280498 O=C(CCC1CCCC1)c2ccc3cccnc3c2 1458a_100011933907_100000760354 [0,0,0,1,0,1|2,0,0]=4 808 B21R3.2280498 O=C(CCC1CCCC1)c2ccc3ncccc3c2 1458a_100011216044_100000760354 [0,0,0,1,0,1|2,0,0]=4 809 B21R3.43738356 O=C(CN1CCCCCC1)c2cc3ccccc3o2 269982a_100000185865_100000209828 [0,1,0,1,0,0|2,0,0]=4 810 B21R3.43738356 O=C(CN1CCCCCC1)c2nc3ccccc3s2 2230a_100000185865_100000198972 [0,1,0,1,0,0|1,1,0]=4 811 B21R3.43738356 O=C(CN1CCCCCC1)c2nc3ccccc3s2 269982a_100000185865_100000198972 [0,1,0,1,0,0|1,1,0]=4 812 B21R3.2280253 O=C(CNC1CCCCC1)c2nc3ccccc3s2 2230a_100000182618_100000198972 [0,1,0,1,0,0|1,1,0]=4 813 B21R3.2280253 O=C(CSC1CCCCC1)c2cc3ccccc3o2 62a_100000210327_100000209828 [0,1,0,1,0,0|2,0,0]=4 814 B21R3.2280253 O=C(CSC1CCCCC1)c2nc3ccccc3s2 62a_100000198972_100000210327 [0,1,0,1,0,0|1,1,0]=4 815 B21R3.2959972 CCC1CCCN1CC(=O)c2cc3ccccc3o2 269982a_100000754278_100000209828 [0,1,0,1,0,0|2,0,0]=4 816 B21R3.2959972 CCC1CCCN1CC(=O)c2nc3ccccc3s2 2230a_100000754278_100000198972 [0,1,0,1,0,0|1,1,0]=4 817 B21R3.2959972 CCC1CCCN1CC(=O)c2nc3ccccc3s2 269982a_100000754278_100000198972 [0,1,0,1,0,0|1,1,0]=4 818 B21R3.3957577 CC1CCCCN1CC(=O)c2cc3ccccc3o2 269982a_100000211376_100000209828 [0,1,0,1,0,0|2,0,0]=4 819 B21R3.3957577 CC1CCCCN1CC(=O)c2nc3ccccc3s2 2230a_100000211376_100000198972 [0,1,0,1,0,0|1,1,0]=4 820 B21R3.3957577 CC1CCCCN1CC(=O)c2nc3ccccc3s2 269982a_100000211376_100000198972 [0,1,0,1,0,0|1,1,0]=4 821 B21R3.43746572 O=C(CNCC1CCCC1)c2nc3ccccc3s2 2230a_100000737975_100000198972 [0,1,0,1,0,0|1,1,0]=4 822 B21R3.43746572 O=C(CSCC1CCCC1)c2cc3ccccc3o2 62a_100000740388_100000209828 [0,1,0,1,0,0|2,0,0]=4 823 B21R3.43746572 O=C(CSCC1CCCC1)c2nc3ccccc3s2 62a_100000198972_100000740388 [0,1,0,1,0,0|1,1,0]=4 824 B17R1.1304 C=C(C(=O)CCCCCCC)c1ccccc1 1458a_100000065200_100000210614 [0,0,1,0,1,0|2,0,0]=4 825 B17R1.1304 CCCCCCCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210614 [0,0,1,0,1,0|1,0,1]=4 826 B17R1.1304 CCCCCCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210614 [0,0,1,0,1,0|1,0,1]=4 827 B17R1.9274 CCCCCCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210614 [0,0,1,0,1,0|1,0,1]=4 828 B17R1.9274 CCCCCCCC(=O)Cc1cccnc1Br 1458a_100000211969_100010140945 [0,0,1,0,1,0|1,0,1]=4 829 B17R1.9274 CCCCCCCC(=O)Cc1cccnc1C 1458a_100000211969_100000732876 [0,0,1,0,1,0|1,0,1]=4 830 B17R1.9274 CCCCCCCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210614 [0,0,1,0,1,0|1,0,1]=4 831 B17R1.9274 CCCCCCCC(=O)Cc1cccnc1Cl 1458a_100000211969_100000045678 [0,0,1,0,1,0|1,0,1]=4 832 B17R1.9274 CCCCCCCC(=O)Cc1cccnc1F 1458a_100000211969_100000099810 [0,0,1,0,1,0|1,0,1]=4 833 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1Br 1458a_100000211969_100025702911 [0,0,1,0,1,0|1,0,1]=4 834 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210614 [0,0,1,0,1,0|1,0,1]=4 835 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1C 1458a_100000211969_100000696600 [0,0,1,0,1,0|1,0,1]=4 836 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1C 1458a_200000722269_100000210614 [0,0,1,0,1,0|1,0,1]=4 837 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1Cl 1458a_100000211969_100000099807 [0,0,1,0,1,0|1,0,1]=4 838 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210614 [0,0,1,0,1,0|1,0,1]=4 839 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1F 1458a_100000211969_100000104219 [0,0,1,0,1,0|1,0,1]=4 840 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1O 1458a_100000211969_200020655725 [0,0,1,0,1,0|0,0,1]=3 841 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1O 22a_100000185747_100000211969 [0,0,1,0,1,0|1,0,1]=4 842 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1O 527a_100000185747_100000211969 [0,0,1,0,1,0|1,0,1]=4 843 B17R1.9274 COCCCCCC(=O)Cc1ncccc1O 1458a_100011935119_200020655725 [0,0,1,0,1,0|1,0,1]=4 844 B17R1.9274 O=C(CCCCCCO)Cc1ncccc1O 1458a_100011996774_200020655725 [0,0,1,0,1,0|1,0,1]=4 845 B19R1.10997 CCCCCCCC(=O)CC(=O)Nc1ccccn1 1458a_100000211969_100020662008 [0,0,1,0,0,1|0,0,2]=4 846 B19R1.10997 CCCCCCCC(=O)CC(=O)Oc1ccccc1 1458a_100000211969_100009813826 [0,0,1,0,0,1|2,0,0]=4 847 B19R1.29628 CCCCCCCC(=O)NN=Cc1ccccc1O 4a_100000181853_100000185834 [0,0,1,0,0,1|2,0,0]=4 848 B19R1.29628 CCCCCCCC(=O)NN=Cc1ncccc1Br 4a_100000181853_100011934733 [0,0,1,0,0,1|2,0,0]=4 849 B19R1.29628 CCCCCCCC(=O)NN=Cc1ncccc1C 4a_100000181853_100000698913 [0,0,1,0,0,1|2,0,0]=4 850 B19R1.29628 CCCCCCCC(=O)NN=Cc1ncccc1Cl 4a_100000181853_100012001307 [0,0,1,0,0,1|2,0,0]=4 851 B19R1.29628 CCCCCCCC(=O)NN=Cc1ncccc1F 4a_100000181853_100011934734 [0,0,1,0,0,1|2,0,0]=4 852 B19R1.29628 CCCCCCCC(=O)NN=Cc1ncccc1O 4a_100000181853_100000042352 [0,0,1,0,0,1|1,0,0]=3 853 B19R1.29628 CCCCCCCC(=O)OCOc1cccnc1Br 34a_100000744436_100009852258 [0,0,1,0,0,1|1,0,1]=4 854 B19R1.29628 CCCCCCCC(=O)OCOc1cccnc1Br 7a_100000744436_100009852258 [0,0,1,0,0,1|1,0,1]=4 855 B19R1.29628 CCCCCCCC(=O)OCOc1cccnc1C 34a_100000745507_100009852258 [0,0,1,0,0,1|1,0,1]=4 856 B19R1.29628 CCCCCCCC(=O)OCOc1cccnc1C 7a_100000745507_100009852258 [0,0,1,0,0,1|1,0,1]=4 857 B19R1.29628 CCCCCCCC(=O)OCOc1cccnc1Cl 34a_100000757616_100009852258 [0,0,1,0,0,1|1,0,1]=4 858 B19R1.29628 CCCCCCCC(=O)OCOc1cccnc1Cl 7a_100000757616_100009852258 [0,0,1,0,0,1|1,0,1]=4 859 B19R1.29628 CCCCCCCC(=O)OCOc1cccnc1F 34a_100000061740_100009852258 [0,0,1,0,0,1|1,0,1]=4 860 B19R1.29628 CCCCCCCC(=O)OCOc1cccnc1F 7a_100000061740_100009852258 [0,0,1,0,0,1|1,0,1]=4 861 B19R1.29628 CCCCCCCC(=O)OCOc1cccnc1I 34a_100000034122_100009852258 [0,0,1,0,0,1|1,0,1]=4 862 B19R1.29628 CCCCCCCC(=O)OCOc1cccnc1I 7a_100000034122_100009852258 [0,0,1,0,0,1|1,0,1]=4 863 B19R1.29628 CCCCCCCC(=O)OCOc1cccnc1N 34a_100000211975_100009852258 [0,0,1,0,0,1|0,0,2]=4 864 B19R1.29628 CCCCCCCC(=O)OCOc1cccnc1N 7a_100000211975_100009852258 [0,0,1,0,0,1|0,0,2]=4 865 B19R1.29628 CCCCCCCC(=O)OCSc1ncccc1O 62a_100000034122_100009852258 [0,0,1,0,0,1|1,0,1]=4 866 B19R2.1289 CCCCCCC=Cc1ccc2cccnc2n1 271570a_200015348155_100009888989 [1,0,0,0,0,1|1,0,1]=4 867 B19R2.1289 CCCCCCC=Cc1cnc2ncccc2n1 271570a_200015348155_100000084304 [1,0,0,0,0,1|1,0,1]=4 868 B19R2.1289 CCCCCCCNc1ccc2cccnc2n1 27a_100000229938_100000075685 [1,0,0,0,0,1|2,0,0]=4 869 B19R2.1289 CCCCCCCNc1cnc2cccnc2n1 27a_100000229938_200010275043 [1,0,0,0,0,1|2,0,0]=4 870 B19R2.1289 CCCCCCCNc1cnc2ncccc2n1 27a_100000229938_100000084304 [1,0,0,0,0,1|2,0,0]=4 871 B19R2.1289 CCCCCCCNc1ncc2cccnc2n1 27a_100000229938_100009875485 [1,0,0,0,0,1|2,0,0]=4 872 B19R2.1289 CCCCCCCSc1ccc2cccnc2n1 62a_100000075685_100000210316 [1,0,0,0,0,1|2,0,0]=4 873 B19R2.1289 CCCCCCCSc1ccc2cccnc2n1 62a_100000210614_100000075685 [1,0,0,0,0,1|2,0,0]=4 874 B19R2.1289 CCCCCCCSc1cnc2cccnc2n1 62a_100000210614_200010275043 [1,0,0,0,0,1|2,0,0]=4 875 B19R2.1289 CCCCCCCSc1cnc2cccnc2n1 62a_200010275043_100000210316 [1,0,0,0,0,1|2,0,0]=4 876 B19R2.1289 CCCCCCCSc1cnc2ncccc2n1 62a_100000084304_100000210316 [1,0,0,0,0,1|2,0,0]=4 877 B19R2.1289 CCCCCCCSc1cnc2ncccc2n1 62a_100000210614_100000084304 [1,0,0,0,0,1|2,0,0]=4 878 B19R2.1289 CCCCCCCSc1ncc2cccnc2n1 62a_100000210614_100009875485 [1,0,0,0,0,1|2,0,0]=4 879 B19R2.1289 CCCCCCCSc1ncc2cccnc2n1 62a_100009875485_100000210316 [1,0,0,0,0,1|2,0,0]=4 880 B19R2.20994 CCCCCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210757 [1,0,0,0,0,1|2,0,0]=4 881 B19R2.20994 CCCCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210757 [1,0,0,0,0,1|2,0,0]=4 882 B19R2.20994 CCCCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210757 [1,0,0,0,0,1|2,0,0]=4 883 B21R2.275449 CCCCCCCC(=NNc1nc2ccccc2o1)C 4a_100000182307_100000210596 [0,0,0,0,0,2|2,0,0]=4 884 B21R2.275449 CCCCCCCC(=O)C=Cc1nc2ccccc2o1 1458a_100000697878_100000210614 [0,0,0,0,0,2|1,0,0]=3 885 B21R2.275449 CCCCCCCC(=O)C=Cc1nc2ccccc2s1 1458a_100000682698_100000210614 [0,0,0,0,0,2|1,1,0]=4 886 B21R2.275449 CCCCCCCC(=O)C=Cc1nc2ccccc2s1 6a_100011204187_100000210596 [0,0,0,0,0,2|1,1,0]=4 887 B21R2.275449 CCCCCCCC(=O)CCc1nc2ccccc2[nH]1 1458a_100102526157_100000210614 [0,0,0,0,0,2|2,0,0]=4 888 B21R2.275449 CCCCCCCC(=O)CCc1nc2ccccc2s1 1458a_100000182949_100000210614 [0,0,0,0,0,2|1,1,0]=4 889 B21R2.275449 CCCCCCCC(=O)CSc1nc2ccccc2[nH]1 1458a_100000179484_100000210614 [0,0,0,0,0,2|2,0,0]=4 890 B21R2.275449 CCCCCCCC(=O)CSc1nc2ccccc2o1 1458a_200000179485_100000210614 [0,0,0,0,0,2|1,0,0]=3 891 B21R2.275449 CCCCCCCC(=O)CSc1nc2ccccc2s1 1458a_100000179486_100000210614 [0,0,0,0,0,2|1,1,0]=4 892 B21R2.275449 CCCCCCCC(=O)NCc1cc2ccccc2o1 11a_100011220112_100000211969 [0,0,0,0,0,2|2,0,0]=4 893 B21R2.275449 CCCCCCCC(=O)NCc1cc2ccccc2o1 1626a_100011220112_100000211969 [0,0,0,0,0,2|2,0,0]=4 894 B21R2.275449 CCCCCCCC(=O)NCc1cc2ccccc2o1 240690a_100011220112_100000211969 [0,0,0,0,0,2|2,0,0]=4 895 B21R2.275449 CCCCCCCC(=O)NCc1cc2ccccc2o1 527a_100011220112_100000211969 [0,0,0,0,0,2|2,0,0]=4 896 B21R2.275449 CCCCCCCC(=O)NCc1cn2cccnc2n1 11a_100025705072_100000211969 [0,0,0,0,0,2|2,0,0]=4 897 B21R2.275449 CCCCCCCC(=O)NCc1cn2cccnc2n1 1626a_100025705072_100000211969 [0,0,0,0,0,2|2,0,0]=4 898 B21R2.275449 CCCCCCCC(=O)NCc1cn2cccnc2n1 240690a_100025705072_100000211969 [0,0,0,0,0,2|2,0,0]=4 899 B21R2.275449 CCCCCCCC(=O)NCc1cn2cccnc2n1 527a_100025705072_100000211969 [0,0,0,0,0,2|2,0,0]=4 900 B21R2.275449 CCCCCCCC(=O)NCc1nc2ccccc2[nH]1 240690a_100000729406_100000211969 [0,0,0,0,0,2|2,0,0]=4 901 B21R2.275449 CCCCCCCC(=O)NCc1nc2ccccc2[nH]1 527a_100000729406_100000211969 [0,0,0,0,0,2|2,0,0]=4 902 B21R2.275449 CCCCCCCC(=O)NCc1nc2ccccc2o1 11a_100000733820_100000211969 [0,0,0,0,0,2|1,0,0]=3 903 B21R2.275449 CCCCCCCC(=O)NCc1nc2ccccc2o1 1626a_100000733820_100000211969 [0,0,0,0,0,2|1,0,0]=3 904 B21R2.275449 CCCCCCCC(=O)NCc1nc2ccccc2o1 240690a_100000733820_100000211969 [0,0,0,0,0,2|1,0,0]=3 905 B21R2.275449 CCCCCCCC(=O)NCc1nc2ccccc2o1 527a_100000733820_100000211969 [0,0,0,0,0,2|1,0,0]=3 906 B21R2.275449 CCCCCCCC(=O)NCc1nc2ccccc2s1 11a_100000174905_100000211969 [0,0,0,0,0,2|1,1,0]=4 907 B21R2.275449 CCCCCCCC(=O)NCc1nc2ccccc2s1 1626a_100000174905_100000211969 [0,0,0,0,0,2|1,1,0]=4 908 B21R2.275449 CCCCCCCC(=O)NCc1nc2ccccc2s1 240690a_100000174905_100000211969 [0,0,0,0,0,2|1,1,0]=4 909 B21R2.275449 CCCCCCCC(=O)NCc1nc2ccccc2s1 527a_100000174905_100000211969 [0,0,0,0,0,2|1,1,0]=4 910 B21R2.275449 CCCCCCCC(=O)NNc1nc2ccccc2[nH]1 22a_100000188875_100000211969 [0,0,0,0,0,2|2,0,0]=4 911 B21R2.275449 CCCCCCCC(=O)NNc1nc2ccccc2o1 22a_100000182307_100000211969 [0,0,0,0,0,2|1,0,0]=3 912 B21R2.275449 CCCCCCCC(=O)NNc1nc2ccccc2s1 22a_100000181811_100000211969 [0,0,0,0,0,2|1,1,0]=4 913 B21R2.275449 CCCCCCCC(C)OCc1nc2ncccc2o1 7a_200011215852_100000696355 [0,0,0,0,0,2|1,0,1]=4 914 B21R2.275449 CCCCCCCC(C)SCc1nc2ncccc2o1 62a_200011218727_100000696355 [0,0,0,0,0,2|1,0,1]=4 915 B21R2.275449 CCCCCCNC(=O)C=Cc1nc2ccccc2o1 11a_100000210581_100000697878 [0,0,0,0,0,2|2,0,0]=4 916 B21R2.275449 CCCCCCNC(=O)C=Cc1nc2ccccc2o1 240690a_100000210581_100000697878 [0,0,0,0,0,2|2,0,0]=4 917 B21R2.275449 CCCCCCNC(=O)CSc1nc2ccccc2o1 527a_100000210581_200000179485 [0,0,0,0,0,2|2,0,0]=4 918 B21R2.275449 CCCCCCNC(=O)NCc1nc2ccccc2o1 2708a_100000210581_100000733820 [0,0,0,0,0,2|2,0,0]=4 919 B21R2.275449 CCCCCCNC(=O)NCc1nc2ccccc2o1 2708a_100000733820_100000210581 [0,0,0,0,0,2|2,0,0]=4 920 B21R2.275449 CCCCCCNC(=O)NCc1nc2ccccc2o1 273464a_100000210581_100000733820 [0,0,0,0,0,2|2,0,0]=4 921 B21R2.275449 CCCCCCNC(=O)NCc1nc2ccccc2o1 273464a_100000733820_100000210581 [0,0,0,0,0,2|2,0,0]=4 922 B21R2.275449 CCCCCCNC(=O)NCc1nc2ccccc2o1 512a_100000210581_100000733820 [0,0,0,0,0,2|2,0,0]=4 923 B21R2.275449 CCCCCCNC(=O)NCc1nc2ccccc2o1 512a_100000733820_100000210581 [0,0,0,0,0,2|2,0,0]=4 924 B21R2.275449 CCCCCCNC(=O)NNc1nc2ccccc2o1 273464a_100000210581_100000182307 [0,0,0,0,0,2|2,0,0]=4 925 B21R2.275449 CCCCCCNC(=O)NNc1nc2ccccc2o1 512a_100000182307_100000210581 [0,0,0,0,0,2|2,0,0]=4 926 B21R2.275449 CCCCCCNC(=O)NNc1nc2ccccc2o1 512a_100000210581_100000182307 [0,0,0,0,0,2|2,0,0]=4 927 B21R2.275449 CCCCOCCC(=O)C=Cc1nc2ccccc2o1 1458a_100000697878_100000743108 [0,0,0,0,0,2|2,0,0]=4 928 B21R2.275449 CCCCOCCC(=O)CSc1nc2ccccc2o1 1458a_200000179485_100000743108 [0,0,0,0,0,2|2,0,0]=4 929 B21R2.275449 COCCCCCC(=O)NCc1nc2ccccc2o1 11a_100000733820_100011935119 [0,0,0,0,0,2|2,0,0]=4 930 B21R2.275449 COCCCCCC(=O)NCc1nc2ccccc2o1 1626a_100000733820_100011935119 [0,0,0,0,0,2|2,0,0]=4 931 B21R2.275449 COCCCCCC(=O)NCc1nc2ccccc2o1 240690a_100000733820_100011935119 [0,0,0,0,0,2|2,0,0]=4 932 B21R2.275449 COCCCCCC(=O)NCc1nc2ccccc2o1 527a_100000733820_100011935119 [0,0,0,0,0,2|2,0,0]=4 933 B21R2.275449 COCCCCCC(=O)NNc1nc2ccccc2o1 22a_100000182307_100011935119 [0,0,0,0,0,2|2,0,0]=4 934 B21R2.275449 O=C(C=Cc1nc2ccccc2o1)CCCCCCF 1458a_100000697878_100015922095 [0,0,0,0,0,2|2,0,0]=4 935 B21R2.275449 O=C(C=Cc1nc2ccccc2o1)CCCCCCO 1458a_100000697878_100000766143 [0,0,0,0,0,2|2,0,0]=4 936 B21R2.275449 O=C(CCCCCCF)CSc1nc2ccccc2o1 1458a_200000179485_100015922095 [0,0,0,0,0,2|2,0,0]=4 937 B21R2.275449 O=C(CCCCCCO)CSc1nc2ccccc2o1 1458a_200000179485_100000766143 [0,0,0,0,0,2|2,0,0]=4 938 B21R2.275449 O=C(CCCCCCO)NCc1nc2ccccc2o1 240690a_100000733820_100011996774 [0,0,0,0,0,2|2,0,0]=4 939 B21R2.275474 CCCCCCCC(=O)Cc1cc2ccccc2cn1 1458a_100000211969_100009869231 [0,0,0,0,0,2|2,0,0]=4 940 B21R2.275474 CCCCCCCC(=O)Cc1ccc2ccccc2n1 1458a_100000211969_100000737579 [0,0,0,0,0,2|2,0,0]=4 941 B21R2.275474 CCCCCCCC(=O)Cc1ccc2ncccc2c1 1458a_100000211969_100000703657 [0,0,0,0,0,2|2,0,0]=4 942 B21R2.275474 CCCCCCCC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_100000210614 [0,0,0,0,0,2|2,0,0]=4 943 B21R2.275474 CCCCCCCC(=O)Cc1cnc2ccccc2n1 1458a_100000211969_200000751123 [0,0,0,0,0,2|2,0,0]=4 944 B21R2.275474 CCCCCCCC(=O)Cc1ncc2ccccc2n1 1458a_100000211969_100009868571 [0,0,0,0,0,2|2,0,0]=4 945 B21R2.275474 CCCCCCCC(=O)Nc1ccc2cccnc2c1 11a_100102887122_100000211969 [0,0,0,0,0,2|2,0,0]=4 946 B21R2.275474 CCCCCCCC(=O)Nc1ccc2cccnc2c1 1626a_100102887122_100000211969 [0,0,0,0,0,2|2,0,0]=4 947 B21R2.275474 CCCCCCCC(=O)Nc1ccc2cccnc2c1 22a_100102887122_100000211969 [0,0,0,0,0,2|2,0,0]=4 948 B21R2.275474 CCCCCCCC(=O)Nc1ccc2cccnc2c1 527a_100102887122_100000211969 [0,0,0,0,0,2|2,0,0]=4 949 B21R2.275474 CCCCCCCC(=O)Nc1ccc2ncccc2c1 11a_100011198106_100000211969 [0,0,0,0,0,2|2,0,0]=4 950 B21R2.275474 CCCCCCCC(=O)Nc1ccc2ncccc2c1 1626a_100011198106_100000211969 [0,0,0,0,0,2|2,0,0]=4 951 B21R2.275474 CCCCCCCC(=O)Nc1ccc2ncccc2c1 22a_100011198106_100000211969 [0,0,0,0,0,2|2,0,0]=4 952 B21R2.275474 CCCCCCCC(=O)Nc1ccc2ncccc2c1 527a_100011198106_100000211969 [0,0,0,0,0,2|2,0,0]=4 953 B21R2.111347 CCCCCCCC(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_100000210614 [0,0,0,0,0,2|2,0,0]=4