0 B21R2.282343 CCCCCCC=NNC(=O)c1nc2ccccc2o1 4a_200000092613_100000234349 [0,0,0,0,0,0|3,0,1]=4 1 B21R2.282343 CCCCCCCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210670 [0,0,0,0,0,0|3,0,0]=3 2 B21R2.282343 CCCCCCCCCC(=O)C1Cc2ccccc2C1 1458a_100000210558_100000753484 [0,0,0,0,0,0|3,0,1]=4 3 B21R2.282343 CCCCCCCCCC(=O)C1Cc2ccccc2C1 1458a_100000685393_100000210670 [0,0,0,0,0,0|3,0,1]=4 4 B21R2.282343 CCCCCCCCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100000210670 [0,0,0,0,0,0|2,0,1]=3 5 B21R2.282343 CCCCCCCCCC(=O)C1Cc2ccccc2S1 1458a_100000024912_100000210670 [0,0,0,0,0,0|2,1,1]=4 6 B21R2.282343 CCCCCCCCCC(=O)N1Cc2ccccc2C1 11a_100000752595_100000210558 [0,0,0,0,0,0|4,0,0]=4 7 B21R2.282343 CCCCCCCCCC(=O)N1Cc2ccccc2C1 1626a_100000752595_100000210558 [0,0,0,0,0,0|4,0,0]=4 8 B21R2.282343 CCCCCCCCCC(=O)N1Cc2ccccc2C1 240690a_100000752595_100000210558 [0,0,0,0,0,0|4,0,0]=4 9 B21R2.282343 CCCCCCCCCC(=O)N1Cc2ccccc2C1 527a_100000752595_100000210558 [0,0,0,0,0,0|4,0,0]=4 10 B21R2.282343 CCCCCCCCCC(=O)N1Cc2cccnc2C1 11a_100000726175_100000210558 [0,0,0,0,0,0|3,0,0]=3 11 B21R2.282343 CCCCCCCCCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100000210558 [0,0,0,0,0,0|3,0,0]=3 12 B21R2.282343 CCCCCCCCCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100000210558 [0,0,0,0,0,0|3,0,0]=3 13 B21R2.282343 CCCCCCCCCC(=O)N1Cc2cccnc2C1 527a_100000726175_100000210558 [0,0,0,0,0,0|3,0,0]=3 14 B21R2.282343 CCCCCCCCCC(=O)N1Cc2cncnc2C1 11a_100015200256_100000210558 [0,0,0,0,0,0|4,0,0]=4 15 B21R2.282343 CCCCCCCCCC(=O)N1Cc2cncnc2C1 240690a_100015200256_100000210558 [0,0,0,0,0,0|4,0,0]=4 16 B21R2.282343 CCCCCCCCCC(=O)N1Cc2cncnc2C1 527a_100015200256_100000210558 [0,0,0,0,0,0|4,0,0]=4 17 B21R2.282343 CCCCCCCCCN(C)c1nc2ccccc2[nH]1 27a_100000232482_100009814255 [0,0,0,0,0,0|4,0,0]=4 18 B21R2.282343 CCCCCCCCCN(C)c1nc2ccccc2s1 27a_100000232482_100000751744 [0,0,0,0,0,0|3,1,0]=4 19 B21R2.282343 CCCCCCCCCN(C)c1nc2cccnc2s1 27a_100000232482_100010188088 [0,0,0,0,0,0|4,0,0]=4 20 B21R2.282343 CCCCCCCCNC(=O)C1=Cc2ccccc2C1 11a_100000229939_100009862756 [0,0,0,0,0,0|4,0,0]=4 21 B21R2.282343 CCCCCCCCNC(=O)C1=Cc2ccccc2C1 1626a_100000229939_100009862756 [0,0,0,0,0,0|4,0,0]=4 22 B21R2.282343 CCCCCCCCNC(=O)C1=Cc2ccccc2C1 240690a_100000229939_100009862756 [0,0,0,0,0,0|4,0,0]=4 23 B21R2.282343 CCCCCCCCNC(=O)C1Cc2ccccc2O1 11a_100000229939_100000209886 [0,0,0,0,0,0|3,0,1]=4 24 B21R2.282343 CCCCCCCCNC(=O)C1Cc2ccccc2O1 1626a_100000229939_100000209886 [0,0,0,0,0,0|3,0,1]=4 25 B21R2.282343 CCCCCCCCNC(=O)C1Cc2ccccc2O1 240690a_100000229939_100000209886 [0,0,0,0,0,0|3,0,1]=4 26 B21R2.282343 CCCCCCCCNC(=O)C1Cc2ccccc2O1 527a_100000229939_100000209886 [0,0,0,0,0,0|3,0,1]=4 27 B21R2.282343 CCCCCCCCNC(=O)N1Cc2cccnc2C1 2708a_100000229939_100000726175 [0,0,0,0,0,0|4,0,0]=4 28 B21R2.282343 CCCCCCCCNC(=O)N1Cc2cccnc2C1 273464a_100000229939_100000726175 [0,0,0,0,0,0|4,0,0]=4 29 B21R2.282343 CCCCCCCNCC(=O)c1cc2ccccc2s1 2230a_100000229938_100012351422 [0,0,0,0,0,0|3,1,0]=4 30 B21R2.282343 CCCCCCCNCC(=O)c1nc2ccccc2s1 2230a_100000229938_100000198972 [0,0,0,0,0,0|2,1,0]=3 31 B21R2.282343 CCCCCCCOCC(=O)c1cc2ccccc2s1 7a_100000210272_100012351422 [0,0,0,0,0,0|3,1,0]=4 32 B21R2.282343 CCCCCCCSCC(=O)c1cc2ccccc2o1 62a_100000210614_100000209828 [0,0,0,0,0,0|3,0,0]=3 33 B21R2.282343 CCCCCCCSCC(=O)c1cc2ccccc2s1 62a_100012351422_100000210316 [0,0,0,0,0,0|3,1,0]=4 34 B21R2.282343 CCCCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000210316 [0,0,0,0,0,0|2,1,0]=3 35 B21R2.282343 CCCCOCCSCC(=O)c1cc2ccccc2o1 62a_100000743108_100000209828 [0,0,0,0,0,0|4,0,0]=4 36 B21R2.282343 CCCCOCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000743108 [0,0,0,0,0,0|3,1,0]=4 37 B21R2.282343 CCCCSCCNCC(=O)c1nc2ccccc2s1 2230a_100025743550_100000198972 [0,0,0,0,0,0|3,1,0]=4 38 B21R2.282343 CCCOCCCNCC(=O)c1nc2ccccc2s1 2230a_100011217757_100000198972 [0,0,0,0,0,0|3,1,0]=4 39 B21R2.282343 COCCCCCNCC(=O)c1nc2ccccc2s1 2230a_100000747528_100000198972 [0,0,0,0,0,0|3,1,0]=4 40 B21R2.282343 O=C(CCCCCCCCO)C1=Cc2ccccc2C1 1458a_100009862756_100000033203 [0,0,0,0,0,0|4,0,0]=4 41 B21R2.282343 O=C(CCCCCCCCO)C1Cc2ccccc2O1 1458a_100000209886_100000033203 [0,0,0,0,0,0|3,0,1]=4 42 B21R2.282343 O=C(CCCCCCCCO)N1Cc2cccnc2C1 240690a_100000726175_100000015970 [0,0,0,0,0,0|4,0,0]=4 43 B21R2.282343 O=C(CNCCCCCCO)c1nc2ccccc2s1 2230a_100000686447_100000198972 [0,0,0,0,0,0|3,1,0]=4 44 B21R2.282343 O=C(CSCCCCCCF)c1cc2ccccc2o1 62a_100015922095_100000209828 [0,0,0,0,0,0|4,0,0]=4 45 B21R2.282343 O=C(CSCCCCCCF)c1nc2ccccc2s1 62a_100000198972_100015922095 [0,0,0,0,0,0|3,1,0]=4 46 B21R2.282343 O=C(CSCCCCCCO)c1cc2ccccc2o1 62a_100000766143_100000209828 [0,0,0,0,0,0|4,0,0]=4 47 B21R2.282343 O=C(CSCCCCCCO)c1nc2ccccc2s1 62a_100000198972_100000766143 [0,0,0,0,0,0|3,1,0]=4 48 B20R2.19698 BrCCCCCCCOCc1nc2ncccc2o1 7a_100000760002_100000696355 [1,0,0,0,0,0|2,0,1]=4 49 B20R2.19698 CCCCCCCCCCc1cc2cccnc2[nH]1 271570a_100000061613_100010079843 [1,0,0,0,0,0|1,0,2]=4 50 B20R2.19698 CCCCCCCCCCc1nc2ccccc2[nH]1 271570a_100000061613_100009814255 [1,0,0,0,0,0|2,0,1]=4 51 B20R2.19698 CCCCCCCCCCc1nc2ccccc2s1 271570a_100000061613_100000751744 [1,0,0,0,0,0|1,1,1]=4 52 B20R2.19698 CCCCCCCCCCc1nc2cccnc2s1 271570a_100000061613_100010188088 [1,0,0,0,0,0|2,0,1]=4 53 B20R2.19698 CCCCCCCCCNc1nc2ccccc2[nH]1 27a_100000212291_100009814255 [1,0,0,0,0,0|3,0,0]=4 54 B20R2.19698 CCCCCCCCCNc1nc2ccccc2s1 27a_100000212291_100000751744 [1,0,0,0,0,0|2,1,0]=4 55 B20R2.19698 CCCCCCCCCNc1nc2cccnc2s1 27a_100000212291_100010188088 [1,0,0,0,0,0|3,0,0]=4 56 B20R2.19698 CCCCCCCCCSc1nc2cccnc2s1 62a_100010188088_100000210670 [1,0,0,0,0,0|3,0,0]=4 57 B20R2.19698 CCCCCCCCNCc1cc2ncccc2o1 207a_100000229939_100000104172 [1,0,0,0,0,0|2,0,1]=4 58 B20R2.19698 CCCCCCCCNCc1cc2ncccc2o1 270004a_100000229939_100000104172 [1,0,0,0,0,0|2,0,1]=4 59 B20R2.19698 CCCCCCCCNCc1nc2ccccc2o1 2230a_100000229939_100000195508 [1,0,0,0,0,0|2,0,1]=4 60 B20R2.19698 CCCCCCCCNCc1nc2ccccc2o1 34a_100000229939_200012361514 [1,0,0,0,0,0|2,0,1]=4 61 B20R2.19698 CCCCCCCCNCc1nc2ncccc2o1 2230a_100000229939_100000696355 [1,0,0,0,0,0|1,0,1]=3 62 B20R2.19698 CCCCCCCCOCc1nc2ccccc2o1 34a_100000210232_200012361514 [1,0,0,0,0,0|2,0,1]=4 63 B20R2.19698 CCCCCCCCOCc1nc2ccccc2o1 7a_100000210232_100000195508 [1,0,0,0,0,0|2,0,1]=4 64 B20R2.19698 CCCCCCCCOCc1nc2ncccc2o1 7a_100000210232_100000696355 [1,0,0,0,0,0|1,0,1]=3 65 B20R2.19698 CCCCCCCCSCc1nc2ccccc2o1 62a_100000210759_100000195508 [1,0,0,0,0,0|2,0,1]=4 66 B20R2.19698 CCCCCCCCSCc1nc2ncccc2o1 62a_100000210759_100000696355 [1,0,0,0,0,0|1,0,1]=3 67 B20R2.19698 CCCCCOCCOCc1nc2ncccc2o1 7a_100011215259_100000696355 [1,0,0,0,0,0|2,0,1]=4 68 B20R2.19698 CCCCOCCCNCc1nc2ncccc2o1 2230a_200000211371_100000696355 [1,0,0,0,0,0|2,0,1]=4 69 B20R2.19698 CCCCOCCCOCc1nc2ncccc2o1 7a_200011215613_100000696355 [1,0,0,0,0,0|2,0,1]=4 70 B20R2.19698 COCCCCCCOCc1nc2ncccc2o1 7a_200012092642_100000696355 [1,0,0,0,0,0|2,0,1]=4 71 B20R2.19698 COCCCCCCSCc1nc2ncccc2o1 62a_100011998445_100000696355 [1,0,0,0,0,0|2,0,1]=4 72 B20R2.19698 OCCCCCCCNCc1nc2ncccc2o1 2230a_100011996573_100000696355 [1,0,0,0,0,0|2,0,1]=4 73 B20R2.19698 OCCCCCCCSCc1nc2ncccc2o1 62a_100000760002_100000696355 [1,0,0,0,0,0|2,0,1]=4 74 B20R2.46935 CCCCCCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210759 [1,0,0,0,0,0|3,0,0]=4 75 B20R2.46935 CCCCCCCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100000210759 [1,0,0,0,0,0|2,0,1]=4 76 B20R2.46935 CCCCCCCCC(=O)N1Cc2cccnc2C1 11a_100000726175_100000210188 [1,0,0,0,0,0|3,0,0]=4 77 B20R2.46935 CCCCCCCCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100000210188 [1,0,0,0,0,0|3,0,0]=4 78 B20R2.46935 CCCCCCCCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100000210188 [1,0,0,0,0,0|3,0,0]=4 79 B20R2.46935 CCCCCCCCC(=O)N1Cc2cccnc2C1 527a_100000726175_100000210188 [1,0,0,0,0,0|3,0,0]=4 80 B20R2.46935 CCCCCCNCC(=O)c1nc2ccccc2s1 2230a_100000210581_100000198972 [1,0,0,0,0,0|2,1,0]=4 81 B20R2.46935 CCCCCCSCC(=O)c1cc2ccccc2o1 62a_100000210314_100000209828 [1,0,0,0,0,0|3,0,0]=4 82 B20R2.46935 CCCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000210757 [1,0,0,0,0,0|2,1,0]=4 83 B22R2.398457 CCCCCCCCCC(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_100000210670 [0,1,0,0,0,0|2,0,1]=4 84 B22R2.398457 CCCCCCCCCC(=O)C1Cc2ccc(cc2O1)C 1458a_100009922052_100000210670 [0,1,0,0,0,0|2,0,1]=4 85 B22R2.398457 CCCCCCCCCC(=O)N1Cc2ccc(nc2C1)Cl 11a_100016995040_100000210558 [0,1,0,0,0,0|3,0,0]=4 86 B22R2.398457 CCCCCCCCCC(=O)N1Cc2ccc(nc2C1)Cl 1626a_100016995040_100000210558 [0,1,0,0,0,0|3,0,0]=4 87 B22R2.398457 CCCCCCCCCC(=O)N1Cc2ccc(nc2C1)Cl 240690a_100016995040_100000210558 [0,1,0,0,0,0|3,0,0]=4 88 B22R2.398457 CCCCCCCCCC(=O)N1Cc2ccc(nc2C1)Cl 527a_100016995040_100000210558 [0,1,0,0,0,0|3,0,0]=4 89 B22R2.398457 CCCCCCCOCC(=O)c1cc2cc(ccc2o1)Br 34a_100000210272_100010170448 [0,1,0,0,0,0|3,0,0]=4 90 B22R2.398459 CCCCCCCCCC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_100000210670 [0,1,0,0,0,0|3,0,0]=4 91 B22R2.398459 CCCCCCCNCC(=O)c1oc2ccccc2c1C 2230a_100000229938_100000684729 [0,1,0,0,0,0|3,0,0]=4 92 B22R2.398459 CCCCCCCSCC(=O)c1oc2ccccc2c1C 62a_100000210614_100000684729 [0,1,0,0,0,0|3,0,0]=4 93 B22R2.563302 CCCCCCCC(=O)CC(=O)c1cc2ccccc2o1 1458a_100000211969_100000209828 [0,1,0,0,0,0|2,0,1]=4 94 B22R2.563302 CCCCCCCC(O)CC(=O)N1Cc2cccnc2C1 1626a_100000726175_200011667753 [0,1,0,0,0,0|3,0,0]=4 95 B22R2.563302 CCCCCCCC(O)CC(=O)N1Cc2cccnc2C1 240690a_100000726175_200011667753 [0,1,0,0,0,0|3,0,0]=4 96 B22R2.563302 CCCCCCCN(C)CC(=O)c1cc2ccccc2o1 269982a_100000228206_100000209828 [0,1,0,0,0,0|3,0,0]=4 97 B22R2.563302 CCCCCCCN(C)CC(=O)c1nc2ccccc2s1 2230a_100000228206_100000198972 [0,1,0,0,0,0|2,1,0]=4 98 B22R2.563302 CCCCCCCN(C)CC(=O)c1nc2ccccc2s1 269982a_100000228206_100000198972 [0,1,0,0,0,0|2,1,0]=4 99 B22R2.582038 CCCCCCCC=NNC(=O)c1nc2ccccc2o1 4a_200000092613_100000210592 [0,1,0,0,0,0|2,0,1]=4 100 B22R2.582038 CCCCCCCCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210319 [0,1,0,0,0,0|3,0,0]=4 101 B22R2.582038 CCCCCCCCCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100000210319 [0,1,0,0,0,0|2,0,1]=4 102 B22R2.582038 CCCCCCCCCCC(=O)N1Cc2cccnc2C1 11a_100000726175_100000210375 [0,1,0,0,0,0|3,0,0]=4 103 B22R2.582038 CCCCCCCCCCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100000210375 [0,1,0,0,0,0|3,0,0]=4 104 B22R2.582038 CCCCCCCCCCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100000210375 [0,1,0,0,0,0|3,0,0]=4 105 B22R2.582038 CCCCCCCCCNC(=O)C1=Cc2ccccc2C1 11a_100000212291_100009862756 [0,1,0,0,0,0|3,0,0]=4 106 B22R2.582038 CCCCCCCCCNC(=O)C1=Cc2ccccc2C1 1626a_100000212291_100009862756 [0,1,0,0,0,0|3,0,0]=4 107 B22R2.582038 CCCCCCCCCNC(=O)C1=Cc2ccccc2C1 240690a_100000212291_100009862756 [0,1,0,0,0,0|3,0,0]=4 108 B22R2.582038 CCCCCCCCCNC(=O)C1Cc2ccccc2O1 11a_100000212291_100000209886 [0,1,0,0,0,0|2,0,1]=4 109 B22R2.582038 CCCCCCCCCNC(=O)C1Cc2ccccc2O1 1626a_100000212291_100000209886 [0,1,0,0,0,0|2,0,1]=4 110 B22R2.582038 CCCCCCCCCNC(=O)C1Cc2ccccc2O1 240690a_100000212291_100000209886 [0,1,0,0,0,0|2,0,1]=4 111 B22R2.582038 CCCCCCCCCNC(=O)C1Cc2ccccc2O1 527a_100000212291_100000209886 [0,1,0,0,0,0|2,0,1]=4 112 B22R2.582038 CCCCCCCCCNC(=O)N1Cc2cccnc2C1 2708a_100000212291_100000726175 [0,1,0,0,0,0|3,0,0]=4 113 B22R2.582038 CCCCCCCCCNC(=O)N1Cc2cccnc2C1 273464a_100000212291_100000726175 [0,1,0,0,0,0|3,0,0]=4 114 B22R2.582038 CCCCCCCCNCC(=O)c1cc2ccccc2s1 2230a_100000229939_100012351422 [0,1,0,0,0,0|2,1,0]=4 115 B22R2.582038 CCCCCCCCNCC(=O)c1nc2ccccc2s1 2230a_100000229939_100000198972 [0,1,0,0,0,0|1,1,0]=3 116 B22R2.582038 CCCCCCCCOCC(=O)N1Cc2cccnc2C1 11a_100000726175_100000759886 [0,1,0,0,0,0|3,0,0]=4 117 B22R2.582038 CCCCCCCCOCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100000759886 [0,1,0,0,0,0|3,0,0]=4 118 B22R2.582038 CCCCCCCCOCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100000759886 [0,1,0,0,0,0|3,0,0]=4 119 B22R2.582038 CCCCCCCCOCC(=O)N1Cc2cccnc2C1 527a_100000726175_100000759886 [0,1,0,0,0,0|3,0,0]=4 120 B22R2.582038 CCCCCCCCOCC(=O)c1cc2ccccc2s1 7a_100000210232_100012351422 [0,1,0,0,0,0|2,1,0]=4 121 B22R2.582038 CCCCCCCCSCC(=O)c1cc2ccccc2o1 62a_100000210759_100000209828 [0,1,0,0,0,0|2,0,0]=3 122 B22R2.582038 CCCCCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000210317 [0,1,0,0,0,0|1,1,0]=3 123 B22R2.582038 CCCCOCCCNCC(=O)c1nc2ccccc2s1 2230a_200000211371_100000198972 [0,1,0,0,0,0|2,1,0]=4 124 B22R2.582038 COCCCCCCSCC(=O)c1cc2ccccc2o1 62a_100011998445_100000209828 [0,1,0,0,0,0|3,0,0]=4 125 B22R2.582038 COCCCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100011998445 [0,1,0,0,0,0|2,1,0]=4 126 B22R2.582038 O=C(CCCCCCCCCF)N1Cc2cccnc2C1 11a_100000726175_200009909015 [0,1,0,0,0,0|3,0,0]=4 127 B22R2.582038 O=C(CCCCCCCCCF)N1Cc2cccnc2C1 240690a_100000726175_200009909015 [0,1,0,0,0,0|3,0,0]=4 128 B22R2.582038 O=C(CCCCCCCCCF)N1Cc2cccnc2C1 527a_100000726175_200009909015 [0,1,0,0,0,0|3,0,0]=4 129 B22R2.582038 O=C(CCCCCCCCCO)C1=Cc2ccccc2C1 1458a_100009862756_100009813782 [0,1,0,0,0,0|3,0,0]=4 130 B22R2.582038 O=C(CCCCCCCCCO)C1Cc2ccccc2O1 1458a_100000209886_100009813782 [0,1,0,0,0,0|2,0,1]=4 131 B22R2.582038 O=C(CCCCCCCCCO)N1Cc2cccnc2C1 240690a_100000726175_100000032657 [0,1,0,0,0,0|3,0,0]=4 132 B22R2.582038 O=C(CNCCCCCCCO)c1nc2ccccc2s1 2230a_100011996573_100000198972 [0,1,0,0,0,0|2,1,0]=4 133 B22R2.582038 O=C(CSCCCCCCCO)c1cc2ccccc2o1 62a_100000760002_100000209828 [0,1,0,0,0,0|3,0,0]=4 134 B22R2.582038 O=C(CSCCCCCCCO)c1nc2ccccc2s1 62a_100000198972_100000760002 [0,1,0,0,0,0|2,1,0]=4 135 B22R2.586774 CC(C)CCCCCNCC(=O)c1nc2ccccc2s1 2230a_100011290863_100000198972 [0,1,0,0,0,0|2,1,0]=4 136 B22R2.586774 CC(C)CCCCCSCC(=O)c1cc2ccccc2o1 62a_100000210682_100000209828 [0,1,0,0,0,0|3,0,0]=4 137 B22R2.586774 CC(C)CCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000210682 [0,1,0,0,0,0|2,1,0]=4 138 B22R2.689561 CCCCCCC(C)NCC(=O)c1nc2ccccc2s1 2230a_100000210919_100000198972 [0,1,0,0,0,0|2,1,0]=4 139 B22R2.689561 CCCCCCC(C)SCC(=O)c1cc2ccccc2o1 62a_100011215978_100000209828 [0,1,0,0,0,0|3,0,0]=4 140 B22R2.689561 CCCCCCC(C)SCC(=O)c1nc2ccccc2s1 62a_100000198972_100011215978 [0,1,0,0,0,0|2,1,0]=4 141 B22R2.690267 CCCCCCCCC(O)C(=O)N1Cc2cccnc2C1 240690a_100000726175_200011995895 [0,1,0,0,0,0|3,0,0]=4 142 B22R2.754629 CCCCCC(O)CCCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100020618878 [0,1,0,0,0,0|3,0,0]=4 143 B22R2.754629 CCCCCC(O)CCCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100020618878 [0,1,0,0,0,0|3,0,0]=4 144 B22R2.754629 CCCCCC(O)CCCC(=O)N1Cc2cccnc2C1 527a_100000726175_100020618878 [0,1,0,0,0,0|3,0,0]=4 145 B20R1.8345 C/C(=C\c1ccccn1)/C(=O)CCCCCCCCO 1458a_100025712827_100000033203 [0,0,1,0,0,0|3,0,0]=4 146 B20R1.8345 CCCCCCCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210670 [0,0,1,0,0,0|3,0,0]=4 147 B20R1.8345 CCCCCCCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210670 [0,0,1,0,0,0|3,0,0]=4 148 B20R1.8345 CCCCCCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210670 [0,0,1,0,0,0|2,0,0]=3 149 B20R1.8345 CCCCCCCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210670 [0,0,1,0,0,0|3,0,0]=4 150 B20R1.8345 CCCCCCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210670 [0,0,1,0,0,0|2,0,0]=3 151 B20R1.8345 CCCCCCCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210670 [0,0,1,0,0,0|1,0,2]=4 152 B20R1.8345 CCCCCCCCCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000210670 [0,0,1,0,0,0|2,0,1]=4 153 B20R1.8345 CCCCCCCCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210670 [0,0,1,0,0,0|2,0,1]=4 154 B20R1.8345 CCCCCCCCCC(=O)C(C)Sc1ccccn1 1458a_100000156770_100000210670 [0,0,1,0,0,0|2,0,1]=4 155 B20R1.8345 CCCCCCCCCC(=O)N(C)Cc1ccccn1 11a_100000207498_100000210558 [0,0,1,0,0,0|3,0,0]=4 156 B20R1.8345 CCCCCCCCCC(=O)N(C)Cc1ccccn1 240690a_100000207498_100000210558 [0,0,1,0,0,0|3,0,0]=4 157 B20R1.8345 CCCCCCCCCC(=O)N(C)Cc1ccccn1 527a_100000207498_100000210558 [0,0,1,0,0,0|3,0,0]=4 158 B20R1.8345 CCCCCCCCCC(=O)N(C)Cc1cccnc1 11a_100000184577_100000210558 [0,0,1,0,0,0|3,0,0]=4 159 B20R1.8345 CCCCCCCCCC(=O)N(C)Cc1cccnc1 240690a_100000184577_100000210558 [0,0,1,0,0,0|3,0,0]=4 160 B20R1.8345 CCCCCCCCCC(=O)N(C)Cc1cccnc1 527a_100000184577_100000210558 [0,0,1,0,0,0|3,0,0]=4 161 B20R1.8345 CCCCCCCCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210670 [0,0,1,0,0,0|2,0,1]=4 162 B20R1.8345 CCCCCCCCNC(=O)/C(=C/c1ccccn1)/C 11a_100000229939_100025712827 [0,0,1,0,0,0|3,0,0]=4 163 B20R1.8345 CCCCCCCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000229939_100025712827 [0,0,1,0,0,0|3,0,0]=4 164 B20R1.8345 CCCCCCCCNC(=O)/C(=C/c1ccccn1)/C 527a_100000229939_100025712827 [0,0,1,0,0,0|3,0,0]=4 165 B20R1.8345 CCCCCCCCNC(=O)C(=Cc1cccnc1)F 11a_100000229939_100000731744 [0,0,1,0,0,0|3,0,0]=4 166 B20R1.8345 CCCCCCCCNC(=O)C(=Cc1cccnc1)F 240690a_100000229939_100000731744 [0,0,1,0,0,0|3,0,0]=4 167 B20R1.8345 CCCCCCCCNC(=O)C(=Cc1cccnc1)F 527a_100000229939_100000731744 [0,0,1,0,0,0|3,0,0]=4 168 B20R1.8345 O=C(CCCCCCCCO)C(=Cc1cccnc1)F 1458a_100000731744_100000033203 [0,0,1,0,0,0|3,0,0]=4 169 B20R1.36406 CCCCCCCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210670 [0,0,1,0,0,0|3,0,0]=4 170 B20R1.36406 CCCCCCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210670 [0,0,1,0,0,0|2,0,0]=3 171 B20R1.36406 CCCCCCCCCC(=O)CCc1ccccc1O 1458a_100000181328_100000210670 [0,0,1,0,0,0|2,0,1]=4 172 B20R1.36406 CCCCCCCCCC(=O)CCc1ccccc1O 1458a_100000210558_100000722297 [0,0,1,0,0,0|2,0,1]=4 173 B20R1.36406 CCCCCCCCCC(=O)COc1ccccc1Br 1458a_100000216496_100000210670 [0,0,1,0,0,0|2,0,1]=4 174 B20R1.36406 CCCCCCCCCC(=O)COc1ccccc1C 1458a_100000182418_100000210670 [0,0,1,0,0,0|2,0,1]=4 175 B20R1.36406 CCCCCCCCCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210670 [0,0,1,0,0,0|2,0,1]=4 176 B20R1.36406 CCCCCCCCCC(=O)COc1ccccc1F 1458a_100000182486_100000210670 [0,0,1,0,0,0|2,0,1]=4 177 B20R1.36406 CCCCCCCCCC(=O)COc1ccccc1O 1458a_100000183020_100000210670 [0,0,1,0,0,0|2,0,1]=4 178 B20R1.36406 CCCCCCCCCC(=O)CSc1ccccc1O 1458a_100000695322_100000210670 [0,0,1,0,0,0|2,0,1]=4 179 B20R1.36406 CCCCCCCCCC(=O)NCc1ccccc1O 240690a_100000185550_100000210558 [0,0,1,0,0,0|3,0,0]=4 180 B20R1.36406 CCCCCCCCCC(=O)NCc1ccccc1O 527a_100000185550_100000210558 [0,0,1,0,0,0|3,0,0]=4 181 B20R1.36406 CCCCCCCCCC(=O)NCc1cccnc1Br 11a_100009818023_100000210558 [0,0,1,0,0,0|3,0,0]=4 182 B20R1.36406 CCCCCCCCCC(=O)NCc1cccnc1Br 240690a_100009818023_100000210558 [0,0,1,0,0,0|3,0,0]=4 183 B20R1.36406 CCCCCCCCCC(=O)NCc1cccnc1Br 527a_100009818023_100000210558 [0,0,1,0,0,0|3,0,0]=4 184 B20R1.36406 CCCCCCCCCC(=O)NCc1cccnc1Cl 11a_100015189234_100000210558 [0,0,1,0,0,0|3,0,0]=4 185 B20R1.36406 CCCCCCCCCC(=O)NCc1cccnc1Cl 1626a_100015189234_100000210558 [0,0,1,0,0,0|3,0,0]=4 186 B20R1.36406 CCCCCCCCCC(=O)NCc1cccnc1Cl 240690a_100015189234_100000210558 [0,0,1,0,0,0|3,0,0]=4 187 B20R1.36406 CCCCCCCCCC(=O)NCc1cccnc1Cl 527a_100015189234_100000210558 [0,0,1,0,0,0|3,0,0]=4 188 B20R1.36406 CCCCCCCCCC(=O)NCc1cccnc1F 11a_100000724633_100000210558 [0,0,1,0,0,0|3,0,0]=4 189 B20R1.36406 CCCCCCCCCC(=O)NCc1cccnc1F 1626a_100000724633_100000210558 [0,0,1,0,0,0|3,0,0]=4 190 B20R1.36406 CCCCCCCCCC(=O)NCc1cccnc1F 240690a_100000724633_100000210558 [0,0,1,0,0,0|3,0,0]=4 191 B20R1.36406 CCCCCCCCCC(=O)NCc1cccnc1F 527a_100000724633_100000210558 [0,0,1,0,0,0|3,0,0]=4 192 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1Br 11a_100020591323_100000210558 [0,0,1,0,0,0|3,0,0]=4 193 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1Br 240690a_100020591323_100000210558 [0,0,1,0,0,0|3,0,0]=4 194 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1Br 527a_100020591323_100000210558 [0,0,1,0,0,0|3,0,0]=4 195 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1C 11a_100011223789_100000210558 [0,0,1,0,0,0|3,0,0]=4 196 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1C 1626a_100011223789_100000210558 [0,0,1,0,0,0|3,0,0]=4 197 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1C 240690a_100011223789_100000210558 [0,0,1,0,0,0|3,0,0]=4 198 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1C 527a_100011223789_100000210558 [0,0,1,0,0,0|3,0,0]=4 199 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1Cl 11a_100015189233_100000210558 [0,0,1,0,0,0|3,0,0]=4 200 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1Cl 1626a_100015189233_100000210558 [0,0,1,0,0,0|3,0,0]=4 201 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1Cl 240690a_100015189233_100000210558 [0,0,1,0,0,0|3,0,0]=4 202 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1Cl 527a_100015189233_100000210558 [0,0,1,0,0,0|3,0,0]=4 203 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1F 11a_100000690088_100000210558 [0,0,1,0,0,0|3,0,0]=4 204 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1F 1626a_100000690088_100000210558 [0,0,1,0,0,0|3,0,0]=4 205 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1F 240690a_100000690088_100000210558 [0,0,1,0,0,0|3,0,0]=4 206 B20R1.36406 CCCCCCCCCC(=O)NCc1ncccc1F 527a_100000690088_100000210558 [0,0,1,0,0,0|3,0,0]=4 207 B20R1.36406 CCCCCCCCCC(=O)NNc1cccnc1C 22a_100000730703_100000210558 [0,0,1,0,0,0|3,0,0]=4 208 B20R1.36406 CCCCCCCCCC(=O)NNc1ncccc1Br 22a_100011464834_100000210558 [0,0,1,0,0,0|2,0,1]=4 209 B20R1.36406 CCCCCCCCCC(=O)NNc1ncccc1C 22a_100000708268_100000210558 [0,0,1,0,0,0|2,0,1]=4 210 B20R1.36406 CCCCCCCCCC(=O)NNc1ncccc1Cl 22a_100000741667_100000210558 [0,0,1,0,0,0|2,0,1]=4 211 B20R1.36406 CCCCCCCCCC(=O)NNc1ncccc1F 22a_100000717775_100000210558 [0,0,1,0,0,0|2,0,1]=4 212 B20R1.36406 CCCCCCCCCC(=O)NNc1ncccc1I 22a_100010221029_100000210558 [0,0,1,0,0,0|2,0,1]=4 213 B20R1.36406 O=C(C=Cc1ccccc1O)CCCCCCCCO 1458a_100016263591_100000033203 [0,0,1,0,0,0|3,0,0]=4 214 B22R3.3754635 CCC1CCCCN1CC(=O)c2cc3ccccc3o2 269982a_100000210034_100000209828 [0,0,0,1,0,0|3,0,0]=4 215 B22R3.3754635 CCC1CCCCN1CC(=O)c2nc3ccccc3s2 2230a_100000210034_100000198972 [0,0,0,1,0,0|2,1,0]=4 216 B22R3.3754635 CCC1CCCCN1CC(=O)c2nc3ccccc3s2 269982a_100000210034_100000198972 [0,0,0,1,0,0|2,1,0]=4 217 B22R3.5672422 CC1CCCCC1NCC(=O)c2nc3ccccc3s2 2230a_100000211402_100000198972 [0,0,0,1,0,0|2,1,0]=4 218 B22R3.12500697 O=C(CCCC1CCCCC1)C2=Cc3ccccc3C2 1458a_100009862756_100011713725 [0,0,0,1,0,0|3,0,0]=4 219 B22R3.12500697 O=C(CCCC1CCCCC1)C2Cc3ccccc3O2 1458a_100000209886_100011713725 [0,0,0,1,0,0|2,0,1]=4 220 B22R3.12500697 O=C(CCCC1CCCCC1)N2Cc3cccnc3C2 11a_100000726175_100000211478 [0,0,0,1,0,0|3,0,0]=4 221 B22R3.12500697 O=C(CCCC1CCCCC1)N2Cc3cccnc3C2 1626a_100000726175_100000211478 [0,0,0,1,0,0|3,0,0]=4 222 B22R3.12500697 O=C(CCCC1CCCCC1)N2Cc3cccnc3C2 240690a_100000726175_100000211478 [0,0,0,1,0,0|3,0,0]=4 223 B22R3.12500697 O=C(CCCC1CCCCC1)N2Cc3cccnc3C2 527a_100000726175_100000211478 [0,0,0,1,0,0|3,0,0]=4 224 B22R3.12500697 O=C(CNCC1CCCCC1)c2nc3ccccc3s2 2230a_100000210473_100000198972 [0,0,0,1,0,0|2,1,0]=4 225 B22R3.12500697 O=C(CSCC1CCCCC1)c2cc3ccccc3o2 62a_100000211423_100000209828 [0,0,0,1,0,0|3,0,0]=4 226 B22R3.12500697 O=C(CSCC1CCCCC1)c2nc3ccccc3s2 62a_100000198972_100000211423 [0,0,0,1,0,0|2,1,0]=4 227 B22R3.82893327 O=C(CN1CCCCCCC1)c2cc3ccccc3o2 269982a_100000211400_100000209828 [0,0,0,1,0,0|3,0,0]=4 228 B22R3.82893327 O=C(CN1CCCCCCC1)c2nc3ccccc3s2 2230a_100000211400_100000198972 [0,0,0,1,0,0|2,1,0]=4 229 B22R3.82893327 O=C(CN1CCCCCCC1)c2nc3ccccc3s2 269982a_100000211400_100000198972 [0,0,0,1,0,0|2,1,0]=4 230 B22R3.82903404 O=C(CNCCC1CCCC1)c2nc3ccccc3s2 2230a_100000739158_100000198972 [0,0,0,1,0,0|2,1,0]=4 231 B22R3.82903404 O=C(CSCCC1CCCC1)c2cc3ccccc3o2 62a_100000760354_100000209828 [0,0,0,1,0,0|3,0,0]=4 232 B22R3.82903404 O=C(CSCCC1CCCC1)c2nc3ccccc3s2 62a_100000198972_100000760354 [0,0,0,1,0,0|2,1,0]=4 233 B22R3.83040571 O=C(CNC1CCCCCC1)c2nc3ccccc3s2 2230a_100000210984_100000198972 [0,0,0,1,0,0|2,1,0]=4 234 B22R3.83040571 O=C(CSC1CCCCCC1)c2cc3ccccc3o2 62a_100011217769_100000209828 [0,0,0,1,0,0|3,0,0]=4 235 B22R3.83040571 O=C(CSC1CCCCCC1)c2nc3ccccc3s2 62a_100000198972_100011217769 [0,0,0,1,0,0|2,1,0]=4 236 B20R2.11767593 CCCCCCCCCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210670 [0,0,0,0,1,0|2,0,1]=4 237 B22R2.398436 C#CCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000087357_100000195508 [0,0,0,0,0,1|1,0,2]=4 238 B22R2.398436 C#CCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100153394163 [0,0,0,0,0,1|1,0,2]=4 239 B22R2.398436 C#CCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000087357_100000696355 [0,0,0,0,0,1|0,0,2]=3 240 B22R2.398436 C=CCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100011216160_100000195508 [0,0,0,0,0,1|1,0,2]=4 241 B22R2.398436 C=CCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100012355270 [0,0,0,0,0,1|1,0,2]=4 242 B22R2.398436 C=CCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100011216160_100000696355 [0,0,0,0,0,1|0,0,2]=3 243 B22R2.398436 CCCCC#CCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_200000047210 [0,0,0,0,0,1|1,0,2]=4 244 B22R2.398436 CCCCC/C=C/CCC(=O)Cc1nc2ccccc2o1 1458a_200015255902_100000195508 [0,0,0,0,0,1|1,0,2]=4 245 B22R2.398436 CCCCC/C=C/CCC(=O)Cc1nc2ncccc2o1 1458a_200015255902_100000696355 [0,0,0,0,0,1|0,0,2]=3 246 B22R2.398436 CCCCCC/C=C/CC(=O)Cc1nc2ccccc2o1 1458a_100020681715_100000195508 [0,0,0,0,0,1|1,0,2]=4 247 B22R2.398436 CCCCCC/C=C/CC(=O)Cc1nc2ncccc2o1 1458a_100020681715_100000696355 [0,0,0,0,0,1|0,0,2]=3 248 B22R2.398436 CCCCCCCC=CC(=O)Cc1nc2ccccc2o1 1458a_200015332781_100000195508 [0,0,0,0,0,1|1,0,2]=4 249 B22R2.398436 CCCCCCCC=CC(=O)Cc1nc2ncccc2o1 1458a_200015332781_100000696355 [0,0,0,0,0,1|0,0,2]=3 250 B22R2.398436 CCCCCCCCCC(=O)Cc1cc2ccccc2o1 1458a_100000735538_100000210670 [0,0,0,0,0,1|2,0,0]=3 251 B22R2.398436 CCCCCCCCCC(=O)Cc1cn2ccccc2n1 1458a_100000210558_100000689847 [0,0,0,0,0,1|3,0,0]=4 252 B22R2.398436 CCCCCCCCCC(=O)Cc1nc2ccccc2[nH]1 1458a_100000210558_100000737899 [0,0,0,0,0,1|2,0,0]=3 253 B22R2.398436 CCCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000210558_100000195508 [0,0,0,0,0,1|1,0,0]=2 254 B22R2.398436 CCCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100000210670 [0,0,0,0,0,1|1,0,0]=2 255 B22R2.398436 CCCCCCCCCC(=O)Cc1nc2ccccc2s1 1458a_100000210558_100011217541 [0,0,0,0,0,1|1,1,0]=3 256 B22R2.398436 CCCCCCCCCC(=O)Cc1nc2cccnc2[nH]1 1458a_100000210558_100011549802 [0,0,0,0,0,1|1,0,1]=3 257 B22R2.398436 CCCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000210558_100000696355 [0,0,0,0,0,1|0,0,0]=1 258 B22R2.398436 CCCCCCCCCC(=O)Cn1cc2ccccc2n1 1458a_100000060251_100000210670 [0,0,0,0,0,1|3,0,0]=4 259 B22R2.398436 CCCCCCCCCN(C)Cc1cc2ncccc2o1 270004a_100000232482_100000104172 [0,0,0,0,0,1|3,0,0]=4 260 B22R2.398436 CCCCCCCCCN(C)Cc1nc2ccccc2o1 2230a_100000232482_100000195508 [0,0,0,0,0,1|3,0,0]=4 261 B22R2.398436 CCCCCCCCCN(C)Cc1nc2ncccc2o1 2230a_100000232482_100000696355 [0,0,0,0,0,1|2,0,0]=3 262 B22R2.398436 CCCCCCCCNC(=O)Cc1cc2ccccc2o1 11a_100000229939_100000735538 [0,0,0,0,0,1|3,0,0]=4 263 B22R2.398436 CCCCCCCCNC(=O)Cc1cc2ccccc2o1 240690a_100000229939_100000735538 [0,0,0,0,0,1|3,0,0]=4 264 B22R2.398436 CCCCCCCCNC(=O)Cc1nc2ccccc2[nH]1 240690a_100000229939_100000188031 [0,0,0,0,0,1|3,0,0]=4 265 B22R2.398436 CCCCCCCCNC(=O)Cc1nc2ccccc2s1 240690a_100000229939_100000747980 [0,0,0,0,0,1|2,1,0]=4 266 B22R2.398436 CCCCCCCNCC(=O)Nc1nc2ccccc2[nH]1 2230a_100000229938_100011353410 [0,0,0,0,0,1|3,0,0]=4 267 B22R2.398436 CCCCCCCNCC(=O)Nc1nc2ccccc2s1 2230a_100000229938_100000752643 [0,0,0,0,0,1|2,1,0]=4 268 B22R2.398436 CCCCCCCOCC(=O)Nc1nc2ccccc2s1 7a_100000210272_100000752643 [0,0,0,0,0,1|2,1,0]=4 269 B22R2.398436 CCCCCCNCCC(=O)Nc1nc2ccccc2s1 2230a_100000210581_200011213626 [0,0,0,0,0,1|2,1,0]=4 270 B22R2.398436 CCCCCCOCCC(=O)Nc1nc2ccccc2s1 7a_100000210259_200011213626 [0,0,0,0,0,1|2,1,0]=4 271 B22R2.398436 CCCCOCCOCC(=O)Cc1nc2ccccc2o1 1458a_100011216887_100000195508 [0,0,0,0,0,1|3,0,0]=4 272 B22R2.398436 CCCCOCCOCC(=O)Cc1nc2ncccc2o1 1458a_100011216887_100000696355 [0,0,0,0,0,1|2,0,0]=3 273 B22R2.398436 COCCOCCOCC(=O)Cc1nc2ncccc2o1 1458a_100011214951_100000696355 [0,0,0,0,0,1|3,0,0]=4 274 B22R2.398436 O=C(CCCCCCCCO)Cc1cc2ccccc2o1 1458a_100000735538_100000033203 [0,0,0,0,0,1|3,0,0]=4 275 B22R2.398436 O=C(CCCCCCCCO)Cc1nc2ccccc2o1 1458a_100015185861_100000033203 [0,0,0,0,0,1|2,0,0]=3 276 B22R2.398436 O=C(CCOCCOCCO)Cc1nc2ncccc2o1 1458a_100009915118_100000696355 [0,0,0,0,0,1|3,0,0]=4 277 B22R2.398469 CCCCCCCCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210670 [0,0,0,0,0,1|2,0,0]=3 278 B22R2.398469 CCCCCCCCCC(=O)C1CCc2ccccc2O1 1458a_100000065239_100000210670 [0,0,0,0,0,1|2,0,1]=4 279 B22R2.398469 CCCCCCCCCC(=O)C1COc2ccccc2C1 1458a_100000203760_100000210670 [0,0,0,0,0,1|2,0,1]=4 280 B22R2.398469 CCCCCCCCCC(=O)C1COc2ccccc2O1 1458a_100000182656_100000210670 [0,0,0,0,0,1|2,0,1]=4 281 B22R2.398469 CCCCCCCCCC(=O)C1Cc2ccccc2CO1 1458a_100009880028_100000210670 [0,0,0,0,0,1|2,0,1]=4 282 B22R2.398469 CCCCCCCCCC(=O)N1CCc2cccnc2C1 11a_100015206102_100000210558 [0,0,0,0,0,1|3,0,0]=4 283 B22R2.398469 CCCCCCCCCC(=O)N1CCc2cccnc2C1 1626a_100015206102_100000210558 [0,0,0,0,0,1|3,0,0]=4 284 B22R2.398469 CCCCCCCCCC(=O)N1CCc2cccnc2C1 240690a_100015206102_100000210558 [0,0,0,0,0,1|3,0,0]=4 285 B22R2.398469 CCCCCCCCCC(=O)N1CCc2cccnc2C1 527a_100015206102_100000210558 [0,0,0,0,0,1|3,0,0]=4 286 B22R2.398469 CCCCCCCCCC(=O)N1CCc2ncccc2C1 11a_100000699647_100000210558 [0,0,0,0,0,1|3,0,0]=4 287 B22R2.398469 CCCCCCCCCC(=O)N1CCc2ncccc2C1 240690a_100000699647_100000210558 [0,0,0,0,0,1|3,0,0]=4 288 B22R2.398469 CCCCCCCCCC(=O)N1CCc2ncccc2C1 527a_100000699647_100000210558 [0,0,0,0,0,1|3,0,0]=4 289 B22R2.398469 CCCCCCCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210670 [0,0,0,0,0,1|2,0,0]=3 290 B22R2.398469 CCCCCCCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210670 [0,0,0,0,0,1|2,0,0]=3 291 B22R2.398469 CCCCCCCCCC(=O)c1ccc2nccnc2c1 1458a_100000184533_100000210670 [0,0,0,0,0,1|3,0,0]=4 292 B22R2.398469 CCCCCCCCCN(C)c1ccc2cccnc2n1 27a_100000232482_100000075685 [0,0,0,0,0,1|3,0,0]=4 293 B22R2.398469 CCCCCCCCCN(C)c1cnc2cccnc2n1 27a_100000232482_200010275043 [0,0,0,0,0,1|3,0,0]=4 294 B22R2.398469 CCCCCCCCCN(C)c1cnc2ncccc2n1 27a_100000232482_100000084304 [0,0,0,0,0,1|3,0,0]=4 295 B22R2.398469 CCCCCCCCCN(C)c1ncc2cccnc2n1 27a_100000232482_100009875485 [0,0,0,0,0,1|3,0,0]=4 296 B22R2.398469 CCCCCCCCNC(=O)C1=Cc2ccccc2OC1 11a_100000229939_100000018039 [0,0,0,0,0,1|3,0,0]=4 297 B22R2.398469 CCCCCCCCNC(=O)C1=Cc2ccccc2OC1 1626a_100000229939_100000018039 [0,0,0,0,0,1|3,0,0]=4 298 B22R2.398469 CCCCCCCCNC(=O)C1=Cc2ccccc2OC1 240690a_100000229939_100000018039 [0,0,0,0,0,1|3,0,0]=4 299 B22R2.398469 CCCCCCCCNC(=O)C1=Cc2ccccc2OC1 527a_100000229939_100000018039 [0,0,0,0,0,1|3,0,0]=4 300 B22R2.398469 CCCCCCCCNC(=O)c1ccc2cccnc2c1 11a_100000229939_100011933907 [0,0,0,0,0,1|3,0,0]=4 301 B22R2.398469 CCCCCCCCNC(=O)c1ccc2cccnc2c1 1626a_100000229939_100011933907 [0,0,0,0,0,1|3,0,0]=4 302 B22R2.398469 CCCCCCCCNC(=O)c1ccc2cccnc2c1 240690a_100000229939_100011933907 [0,0,0,0,0,1|3,0,0]=4 303 B22R2.398469 CCCCCCCCNC(=O)c1ccc2cccnc2c1 527a_100000229939_100011933907 [0,0,0,0,0,1|3,0,0]=4 304 B22R2.398469 CCCCCCCCNC(=O)c1ccc2ncccc2c1 11a_100000229939_100011216044 [0,0,0,0,0,1|3,0,0]=4 305 B22R2.398469 CCCCCCCCNC(=O)c1ccc2ncccc2c1 1626a_100000229939_100011216044 [0,0,0,0,0,1|3,0,0]=4 306 B22R2.398469 CCCCCCCCNC(=O)c1ccc2ncccc2c1 240690a_100000229939_100011216044 [0,0,0,0,0,1|3,0,0]=4 307 B22R2.398469 CCCCCCCCNC(=O)c1ccc2ncccc2c1 527a_100000229939_100011216044 [0,0,0,0,0,1|3,0,0]=4 308 B22R2.398469 O=C(CCCCCCCCO)C1=Cc2ccccc2OC1 1458a_100000018039_100000033203 [0,0,0,0,0,1|3,0,0]=4 309 B22R2.398469 O=C(CCCCCCCCO)c1ccc2cccnc2c1 1458a_100011933907_100000033203 [0,0,0,0,0,1|3,0,0]=4 310 B22R2.398469 O=C(CCCCCCCCO)c1ccc2ncccc2c1 1458a_100011216044_100000033203 [0,0,0,0,0,1|3,0,0]=4 311 B19R1.321 CCCCCCCCCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210670 [1,0,1,0,0,0|1,0,1]=4 312 B19R1.321 CCCCCCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210670 [1,0,1,0,0,0|2,0,0]=4 313 B19R1.321 CCCCCCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210670 [1,0,1,0,0,0|1,0,0]=3 314 B19R1.321 CCCCCCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210670 [1,0,1,0,0,0|1,0,0]=3 315 B19R1.321 CCCCCCCCCC(=O)CCc1ccccn1 1458a_100000210558_100015183660 [1,0,1,0,0,0|1,0,1]=4 316 B19R1.321 CCCCCCCCCC(=O)CCc1ccccn1 1458a_100015195070_100000210670 [1,0,1,0,0,0|1,0,1]=4 317 B19R1.321 CCCCCCCCCC(=O)CCc1cccnc1 1458a_100000198484_100000210670 [1,0,1,0,0,0|1,0,1]=4 318 B19R1.321 CCCCCCCCCC(=O)CCc1cccnc1 1458a_100000210558_200011713674 [1,0,1,0,0,0|1,0,1]=4 319 B19R1.321 CCCCCCCCCC(=O)COc1ccccc1 1458a_100000186222_100000210670 [1,0,1,0,0,0|1,0,1]=4 320 B19R1.321 CCCCCCCCCC(=O)COc1ccccn1 1458a_100102699861_100000210670 [1,0,1,0,0,0|1,0,1]=4 321 B19R1.321 CCCCCCCCCC(=O)COc1cccnc1 1458a_100015207166_100000210670 [1,0,1,0,0,0|0,0,1]=3 322 B19R1.321 CCCCCCCCCC(=O)CSc1ccccn1 1458a_100000156281_100000210670 [1,0,1,0,0,0|1,0,1]=4 323 B19R1.321 CCCCCCCCCC(=O)NCc1ccccn1 11a_100000210449_100000210558 [1,0,1,0,0,0|2,0,0]=4 324 B19R1.321 CCCCCCCCCC(=O)NCc1ccccn1 1626a_100000210449_100000210558 [1,0,1,0,0,0|2,0,0]=4 325 B19R1.321 CCCCCCCCCC(=O)NCc1ccccn1 240690a_100000210449_100000210558 [1,0,1,0,0,0|2,0,0]=4 326 B19R1.321 CCCCCCCCCC(=O)NCc1ccccn1 527a_100000210449_100000210558 [1,0,1,0,0,0|2,0,0]=4 327 B19R1.321 CCCCCCCCCC(=O)NCc1cccnc1 11a_100000210453_100000210558 [1,0,1,0,0,0|2,0,0]=4 328 B19R1.321 CCCCCCCCCC(=O)NCc1cccnc1 240690a_100000210453_100000210558 [1,0,1,0,0,0|2,0,0]=4 329 B19R1.321 CCCCCCCCCC(=O)NCc1cccnc1 527a_100000210453_100000210558 [1,0,1,0,0,0|2,0,0]=4 330 B19R1.321 CCCCCCCCCC(=O)NNc1ccccn1 22a_100000183288_100000210558 [1,0,1,0,0,0|1,0,1]=4 331 B19R1.321 CCCCCCCCCC(=O)NNc1cccnc1 22a_100000728903_100000210558 [1,0,1,0,0,0|2,0,0]=4 332 B19R1.321 CCCCCCCCNC(=O)C=Cc1ccccn1 11a_100000229939_100000740811 [1,0,1,0,0,0|2,0,0]=4 333 B19R1.321 CCCCCCCCNC(=O)C=Cc1ccccn1 240690a_100000229939_100000740811 [1,0,1,0,0,0|2,0,0]=4 334 B19R1.321 CCCCCCCCNC(=O)C=Cc1cccnc1 11a_100000229939_100000735890 [1,0,1,0,0,0|2,0,0]=4 335 B19R1.321 CCCCCCCCNC(=O)C=Cc1cccnc1 240690a_100000229939_100000735890 [1,0,1,0,0,0|2,0,0]=4 336 B19R1.321 CCCCCCCCNC(=O)COc1cccnc1 11a_100000229939_100015207166 [1,0,1,0,0,0|1,0,1]=4 337 B19R1.321 CCCCCCCCNC(=O)COc1cccnc1 1626a_100000229939_100015207166 [1,0,1,0,0,0|1,0,1]=4 338 B19R1.321 CCCCCCCCNC(=O)COc1cccnc1 240690a_100000229939_100015207166 [1,0,1,0,0,0|1,0,1]=4 339 B19R1.321 CCCCCCCCNC(=O)COc1cccnc1 527a_100000229939_100015207166 [1,0,1,0,0,0|1,0,1]=4 340 B19R1.321 O=C(C=Cc1ccccn1)CCCCCCCCO 1458a_100000740811_100000033203 [1,0,1,0,0,0|2,0,0]=4 341 B19R1.321 O=C(C=Cc1cccnc1)CCCCCCCCO 1458a_100000735890_100000033203 [1,0,1,0,0,0|2,0,0]=4 342 B19R1.321 O=C(CCCCCCCCO)COc1cccnc1 1458a_100015207166_100000033203 [1,0,1,0,0,0|1,0,1]=4 343 B19R1.3768 CCCCCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210759 [1,0,1,0,0,0|2,0,0]=4 344 B19R1.3768 CCCCCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210759 [1,0,1,0,0,0|2,0,0]=4 345 B19R1.8120 CCCCCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210759 [1,0,1,0,0,0|2,0,0]=4 346 B19R2.13041 BrCCCCCCOCc1nc2ncccc2o1 7a_100011215345_100000696355 [2,0,0,0,0,0|2,0,0]=4 347 B19R2.13041 CCCCCCCNCc1cc2ncccc2o1 207a_100000229938_100000104172 [2,0,0,0,0,0|2,0,0]=4 348 B19R2.13041 CCCCCCCNCc1cc2ncccc2o1 270004a_100000229938_100000104172 [2,0,0,0,0,0|2,0,0]=4 349 B19R2.13041 CCCCCCCNCc1nc2ccccc2o1 2230a_100000229938_100000195508 [2,0,0,0,0,0|2,0,0]=4 350 B19R2.13041 CCCCCCCNCc1nc2ncccc2o1 2230a_100000229938_100000696355 [2,0,0,0,0,0|1,0,0]=3 351 B19R2.13041 CCCCCCCOCc1nc2ccccc2o1 34a_100000210272_200012361514 [2,0,0,0,0,0|2,0,0]=4 352 B19R2.13041 CCCCCCCOCc1nc2ccccc2o1 7a_100000210272_100000195508 [2,0,0,0,0,0|2,0,0]=4 353 B19R2.13041 CCCCCCCOCc1nc2ncccc2o1 7a_100000210272_100000696355 [2,0,0,0,0,0|1,0,0]=3 354 B19R2.13041 CCCCCCCSCc1nc2ccccc2o1 62a_100000210614_100000195508 [2,0,0,0,0,0|2,0,0]=4 355 B19R2.13041 CCCCCCCSCc1nc2ncccc2o1 62a_100000210614_100000696355 [2,0,0,0,0,0|1,0,0]=3 356 B19R2.13041 CCCCOCCOCc1nc2ncccc2o1 7a_100000210238_100000696355 [2,0,0,0,0,0|2,0,0]=4 357 B19R2.13041 CCCCOCCSCc1nc2ncccc2o1 62a_100000743108_100000696355 [2,0,0,0,0,0|2,0,0]=4 358 B19R2.13041 CCCCSCCNCc1nc2ncccc2o1 2230a_100025743550_100000696355 [2,0,0,0,0,0|2,0,0]=4 359 B19R2.13041 CCCCSCCOCc1nc2ncccc2o1 7a_200000230436_100000696355 [2,0,0,0,0,0|2,0,0]=4 360 B19R2.13041 CCCOCCCNCc1nc2ncccc2o1 2230a_100011217757_100000696355 [2,0,0,0,0,0|2,0,0]=4 361 B19R2.13041 COCCCCCNCc1nc2ncccc2o1 2230a_100000747528_100000696355 [2,0,0,0,0,0|2,0,0]=4 362 B19R2.13041 ClCCCCCCOCc1nc2ncccc2o1 7a_100000766143_100000696355 [2,0,0,0,0,0|2,0,0]=4 363 B19R2.13041 FCCCCCCOCc1nc2ncccc2o1 7a_100000732779_100000696355 [2,0,0,0,0,0|2,0,0]=4 364 B19R2.13041 FCCCCCCSCc1nc2ncccc2o1 62a_100015922095_100000696355 [2,0,0,0,0,0|2,0,0]=4 365 B19R2.13041 OCCCCCCNCc1nc2ncccc2o1 2230a_100000686447_100000696355 [2,0,0,0,0,0|2,0,0]=4 366 B19R2.13041 OCCCCCCSCc1nc2ncccc2o1 62a_100000766143_100000696355 [2,0,0,0,0,0|2,0,0]=4 367 B21R1.3816 C/C(=C\c1ccccn1)/C(=O)CCCCCCCCCO 1458a_100025712827_100009813782 [0,1,1,0,0,0|2,0,0]=4 368 B21R1.3816 CCCCCCCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210319 [0,1,1,0,0,0|2,0,0]=4 369 B21R1.3816 CCCCCCCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210319 [0,1,1,0,0,0|2,0,0]=4 370 B21R1.3816 CCCCCCCCCNC(=O)/C(=C/c1ccccn1)/C 11a_100000212291_100025712827 [0,1,1,0,0,0|2,0,0]=4 371 B21R1.3816 CCCCCCCCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000212291_100025712827 [0,1,1,0,0,0|2,0,0]=4 372 B21R1.3816 CCCCCCCCCNC(=O)/C(=C/c1ccccn1)/C 527a_100000212291_100025712827 [0,1,1,0,0,0|2,0,0]=4 373 B21R1.3816 CCCCCCCCCNC(=O)C(=Cc1cccnc1)F 11a_100000212291_100000731744 [0,1,1,0,0,0|2,0,0]=4 374 B21R1.3816 CCCCCCCCCNC(=O)C(=Cc1cccnc1)F 240690a_100000212291_100000731744 [0,1,1,0,0,0|2,0,0]=4 375 B21R1.3816 CCCCCCCCCNC(=O)C(=Cc1cccnc1)F 527a_100000212291_100000731744 [0,1,1,0,0,0|2,0,0]=4 376 B21R1.3816 O=C(CCCCCCCCCO)C(=Cc1cccnc1)F 1458a_100000731744_100009813782 [0,1,1,0,0,0|2,0,0]=4 377 B21R1.7060 CCCCCCCCCC(=O)C(=O)Nc1ccc(cn1)Cl 1458a_100011297360_100000210670 [0,1,1,0,0,0|0,0,2]=4 378 B21R1.40747 CCCCCCCCCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000210670 [0,1,1,0,0,0|2,0,0]=4 379 B21R1.40747 CCCCCCCCCC(=O)C=Cc1cccnc1OC 1458a_100102601226_100000210670 [0,1,1,0,0,0|2,0,0]=4 380 B21R1.40747 CCCCCCCCCC(=O)NNc1ncccc1OC 22a_100012020716_100000210558 [0,1,1,0,0,0|1,0,1]=4 381 B21R1.70484 CCCCCCCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210319 [0,1,1,0,0,0|2,0,0]=4 382 B21R1.70484 O=C(C=Cc1ccccc1O)CCCCCCCCCO 1458a_100016263591_100009813782 [0,1,1,0,0,0|2,0,0]=4 383 B21R2.7365 BrCCCCCCCCOCc1nc2ncccc2o1 7a_100009813846_100000696355 [1,1,0,0,0,0|1,0,1]=4 384 B21R2.7365 CCCCCCCCCNCc1cc2ncccc2o1 207a_100000212291_100000104172 [1,1,0,0,0,0|1,0,1]=4 385 B21R2.7365 CCCCCCCCCNCc1cc2ncccc2o1 270004a_100000212291_100000104172 [1,1,0,0,0,0|1,0,1]=4 386 B21R2.7365 CCCCCCCCCNCc1nc2ccccc2o1 2230a_100000212291_100000195508 [1,1,0,0,0,0|1,0,1]=4 387 B21R2.7365 CCCCCCCCCNCc1nc2ccccc2o1 34a_100000212291_200012361514 [1,1,0,0,0,0|1,0,1]=4 388 B21R2.7365 CCCCCCCCCNCc1nc2ncccc2o1 2230a_100000212291_100000696355 [1,1,0,0,0,0|0,0,1]=3 389 B21R2.7365 CCCCCCCCCOCc1nc2ccccc2o1 34a_100000210712_200012361514 [1,1,0,0,0,0|1,0,1]=4 390 B21R2.7365 CCCCCCCCCOCc1nc2ccccc2o1 7a_100000210712_100000195508 [1,1,0,0,0,0|1,0,1]=4 391 B21R2.7365 CCCCCCCCCOCc1nc2ncccc2o1 7a_100000210712_100000696355 [1,1,0,0,0,0|0,0,1]=3 392 B21R2.7365 CCCCCCOCCOCc1nc2ncccc2o1 7a_100000691444_100000696355 [1,1,0,0,0,0|1,0,1]=4 393 B21R2.7365 CCCCOCCCCOCc1nc2ncccc2o1 7a_200000760531_100000696355 [1,1,0,0,0,0|1,0,1]=4 394 B21R2.7365 ClCCCCCCCCOCc1nc2ncccc2o1 7a_100000033203_100000696355 [1,1,0,0,0,0|1,0,1]=4 395 B21R2.7365 OCCCCCCCCNCc1nc2ncccc2o1 2230a_102515433106_100000696355 [1,1,0,0,0,0|1,0,1]=4 396 B21R2.7365 OCCCCCCCCSCc1nc2ncccc2o1 62a_100000033203_100000696355 [1,1,0,0,0,0|1,0,1]=4 397 B21R2.22742 CCC(C)CCCCCOCc1nc2ncccc2o1 7a_200000035636_100000696355 [1,1,0,0,0,0|1,0,1]=4 398 B21R2.67336 CCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000210188_100000696355 [1,1,0,0,0,0|0,0,2]=4 399 B21R2.67336 CCCCCCCCN(C)Cc1nc2ncccc2o1 2230a_100000207567_100000696355 [1,1,0,0,0,0|1,0,1]=4 400 B21R2.252262 CC(C)CCCCCCNCc1nc2ncccc2o1 2230a_100000211014_100000696355 [1,1,0,0,0,0|1,0,1]=4 401 B21R2.275449 CCCCCCCC(C)OCc1nc2ncccc2o1 7a_200011215852_100000696355 [1,1,0,0,0,0|1,0,1]=4 402 B21R2.275449 CCCCCCCC(C)SCc1nc2ncccc2o1 62a_200011218727_100000696355 [1,1,0,0,0,0|1,0,1]=4 403 B23R2.533928 CCCCCCCCCC(=O)Cc1nc2ccccc2n1C 1458a_100000210558_100000748711 [0,1,0,0,0,1|2,0,0]=4 404 B23R2.640340 CCOC(=O)CCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000037472_100000696355 [0,1,0,0,0,1|1,0,1]=4 405 B23R2.771976 COC(=O)CCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000036694_100000696355 [0,1,0,0,0,1|1,0,1]=4 406 B23R2.780892 CCCCCCCC(O)CC(=O)Cc1nc2ccccc2[nH]1 1458a_200011667753_100000737899 [0,1,0,0,0,1|2,0,0]=4 407 B23R2.780892 CCCCCCCC(O)CC(=O)Cc1nc2ccccc2o1 1458a_200011667753_100000195508 [0,1,0,0,0,1|1,0,0]=3 408 B23R2.780892 CCCCCCCC(O)CC(=O)Cc1nc2ccccc2s1 1458a_200011667753_100011217541 [0,1,0,0,0,1|1,1,0]=4 409 B23R2.780892 CCCCCCCC(O)CC(=O)Cc1nc2cccnc2[nH]1 1458a_200011667753_100011549802 [0,1,0,0,0,1|1,0,1]=4 410 B23R2.780892 CCCCCCCC(O)CC(=O)Cc1nc2ncccc2o1 1458a_200011667753_100000696355 [0,1,0,0,0,1|0,0,0]=2 411 B23R2.808902 C#CCCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000029693_100000195508 [0,1,0,0,0,1|1,0,1]=4 412 B23R2.808902 C#CCCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000029693_100000696355 [0,1,0,0,0,1|0,0,1]=3 413 B23R2.808902 C=CCCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000211349_100000195508 [0,1,0,0,0,1|1,0,1]=4 414 B23R2.808902 C=CCCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100011933949 [0,1,0,0,0,1|1,0,1]=4 415 B23R2.808902 C=CCCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000211349_100000696355 [0,1,0,0,0,1|0,0,1]=3 416 B23R2.808902 CC#CCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000066323_100000195508 [0,1,0,0,0,1|1,0,1]=4 417 B23R2.808902 CC#CCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000066323_100000696355 [0,1,0,0,0,1|0,0,1]=3 418 B23R2.808902 CCC#CCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_200000036426 [0,1,0,0,0,1|1,0,1]=4 419 B23R2.808902 CCCCCCCCC=CC(=O)Cc1nc2ccccc2o1 1458a_100015345288_100000195508 [0,1,0,0,0,1|1,0,1]=4 420 B23R2.808902 CCCCCCCCC=CC(=O)Cc1nc2ncccc2o1 1458a_100015345288_100000696355 [0,1,0,0,0,1|0,0,1]=3 421 B23R2.808902 CCCCCCCCCCC(=O)Cc1nc2ccccc2[nH]1 1458a_100000210375_100000737899 [0,1,0,0,0,1|2,0,0]=4 422 B23R2.808902 CCCCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000210375_100000195508 [0,1,0,0,0,1|1,0,0]=3 423 B23R2.808902 CCCCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100000210319 [0,1,0,0,0,1|1,0,0]=3 424 B23R2.808902 CCCCCCCCCCC(=O)Cc1nc2ccccc2s1 1458a_100000210375_100011217541 [0,1,0,0,0,1|1,1,0]=4 425 B23R2.808902 CCCCCCCCCCC(=O)Cc1nc2cccnc2[nH]1 1458a_100000210375_100011549802 [0,1,0,0,0,1|1,0,1]=4 426 B23R2.808902 CCCCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000210375_100000696355 [0,1,0,0,0,1|0,0,0]=2 427 B23R2.808902 CCCCCCCCCCN(C)Cc1nc2ncccc2o1 2230a_100000207566_100000696355 [0,1,0,0,0,1|2,0,0]=4 428 B23R2.808902 CCCCCCCCCNC(=O)Cc1cc2ccccc2o1 11a_100000212291_100000735538 [0,1,0,0,0,1|2,0,0]=4 429 B23R2.808902 CCCCCCCCCNC(=O)Cc1cc2ccccc2o1 240690a_100000212291_100000735538 [0,1,0,0,0,1|2,0,0]=4 430 B23R2.808902 CCCCCCCCCNC(=O)Cc1nc2ccccc2[nH]1 240690a_100000212291_100000188031 [0,1,0,0,0,1|2,0,0]=4 431 B23R2.808902 CCCCCCCCCNC(=O)Cc1nc2ccccc2s1 240690a_100000212291_100000747980 [0,1,0,0,0,1|1,1,0]=4 432 B23R2.808902 CCCCCCCCNCC(=O)Nc1nc2ccccc2[nH]1 2230a_100000229939_100011353410 [0,1,0,0,0,1|2,0,0]=4 433 B23R2.808902 CCCCCCCCNCC(=O)Nc1nc2ccccc2s1 2230a_100000229939_100000752643 [0,1,0,0,0,1|1,1,0]=4 434 B23R2.808902 CCCCCCCCOCC(=O)Cc1nc2ccccc2[nH]1 1458a_100000759886_100000737899 [0,1,0,0,0,1|2,0,0]=4 435 B23R2.808902 CCCCCCCCOCC(=O)Cc1nc2ccccc2o1 1458a_100000759886_100000195508 [0,1,0,0,0,1|1,0,0]=3 436 B23R2.808902 CCCCCCCCOCC(=O)Cc1nc2ccccc2s1 1458a_100000759886_100011217541 [0,1,0,0,0,1|1,1,0]=4 437 B23R2.808902 CCCCCCCCOCC(=O)Cc1nc2cccnc2[nH]1 1458a_100000759886_100011549802 [0,1,0,0,0,1|1,0,1]=4 438 B23R2.808902 CCCCCCCCOCC(=O)Cc1nc2ncccc2o1 1458a_100000759886_100000696355 [0,1,0,0,0,1|0,0,0]=2 439 B23R2.808902 CCCCCCCCOCC(=O)Nc1nc2ccccc2s1 7a_100000210232_100000752643 [0,1,0,0,0,1|1,1,0]=4 440 B23R2.808902 CCCCCCCNCCC(=O)Nc1nc2ccccc2s1 2230a_100000229938_200011213626 [0,1,0,0,0,1|1,1,0]=4 441 B23R2.808902 CCCCCCCOCCC(=O)Nc1nc2ccccc2s1 7a_100000210272_200011213626 [0,1,0,0,0,1|1,1,0]=4 442 B23R2.808902 COCCOCCOCCC(=O)Cc1nc2ncccc2o1 1458a_100012278103_100000696355 [0,1,0,0,0,1|2,0,0]=4 443 B23R2.808902 O=C(CCCCCCCCCF)Cc1nc2ccccc2[nH]1 1458a_200009909015_100000737899 [0,1,0,0,0,1|2,0,0]=4 444 B23R2.808902 O=C(CCCCCCCCCF)Cc1nc2ccccc2o1 1458a_200009909015_100000195508 [0,1,0,0,0,1|1,0,0]=3 445 B23R2.808902 O=C(CCCCCCCCCF)Cc1nc2ccccc2s1 1458a_200009909015_100011217541 [0,1,0,0,0,1|1,1,0]=4 446 B23R2.808902 O=C(CCCCCCCCCF)Cc1nc2cccnc2[nH]1 1458a_200009909015_100011549802 [0,1,0,0,0,1|1,0,1]=4 447 B23R2.808902 O=C(CCCCCCCCCF)Cc1nc2ncccc2o1 1458a_200009909015_100000696355 [0,1,0,0,0,1|0,0,0]=2 448 B23R2.808902 O=C(CCCCCCCCCO)Cc1cc2ccccc2o1 1458a_100000735538_100009813782 [0,1,0,0,0,1|2,0,0]=4 449 B23R2.808902 O=C(CCCCCCCCCO)Cc1nc2ccccc2o1 1458a_100015185861_100009813782 [0,1,0,0,0,1|1,0,0]=3 450 B23R2.941518 CCCCCCCCCC(=O)Cc1nc2cc(ccc2[nH]1)Br 1458a_100000210558_100000701424 [0,1,0,0,0,1|2,0,0]=4 451 B23R2.941518 CCCCCCCCCC(=O)Cc1nc2cc(ccc2[nH]1)Cl 1458a_100000210558_100000179801 [0,1,0,0,0,1|2,0,0]=4 452 B23R2.941518 CCCCCCCCCC(=O)Cc1nc2cc(ccc2o1)Br 1458a_100000210558_100000730559 [0,1,0,0,0,1|1,0,0]=3 453 B23R2.941518 CCCCCCCCCC(=O)Cc1nc2cc(ccc2o1)C 1458a_100000210558_100011374149 [0,1,0,0,0,1|1,0,0]=3 454 B23R2.941518 CCCCCCCCCC(=O)Cc1nc2cc(ccc2o1)Cl 1458a_100000210558_100011222916 [0,1,0,0,0,1|1,0,0]=3 455 B23R2.941518 CCCCCCCCCC(=O)Cc1nc2cc(ccc2o1)F 1458a_100000210558_100000687093 [0,1,0,0,0,1|1,0,0]=3 456 B23R2.941518 CCCCCCCCCC(=O)Cc1nc2ccc(cc2[nH]1)C 1458a_100000210558_100020603265 [0,1,0,0,0,1|2,0,0]=4 457 B23R2.941518 CCCCCCCCCC(=O)Cc1nc2ccc(cc2[nH]1)F 1458a_100000210558_200011347187 [0,1,0,0,0,1|2,0,0]=4 458 B23R2.941518 CCCCCCCCCC(=O)Cc1nc2ccc(cc2o1)Br 1458a_100000210558_100000729449 [0,1,0,0,0,1|1,0,0]=3 459 B23R2.941518 CCCCCCCCCC(=O)Cc1nc2ccc(cc2o1)C 1458a_100000210558_100011295139 [0,1,0,0,0,1|1,0,0]=3 460 B23R2.941518 CCCCCCCCCC(=O)Cc1nc2ccc(cc2o1)F 1458a_100000210558_100000687025 [0,1,0,0,0,1|1,0,0]=3 461 B23R2.941523 CCCCCCCCCC(=O)Cc1nc2c(cccc2o1)C 1458a_100000210558_100011397728 [0,1,0,0,0,1|1,0,0]=3 462 B23R2.941523 CCCCCCCCCC(=O)Cc1nc2c(ccnc2[nH]1)C 1458a_100000210558_200000699823 [0,1,0,0,0,1|1,0,1]=4 463 B23R2.946259 CCCCCCCCC(O)C(=O)Cc1nc2ccccc2[nH]1 1458a_200011995895_100000737899 [0,1,0,0,0,1|2,0,0]=4 464 B23R2.946259 CCCCCCCCC(O)C(=O)Cc1nc2ccccc2o1 1458a_200011995895_100000195508 [0,1,0,0,0,1|1,0,0]=3 465 B23R2.946259 CCCCCCCCC(O)C(=O)Cc1nc2ccccc2s1 1458a_200011995895_100011217541 [0,1,0,0,0,1|1,1,0]=4 466 B23R2.946259 CCCCCCCCC(O)C(=O)Cc1nc2cccnc2[nH]1 1458a_200011995895_100011549802 [0,1,0,0,0,1|1,0,1]=4 467 B23R2.946259 CCCCCCCCC(O)C(=O)Cc1nc2ncccc2o1 1458a_200011995895_100000696355 [0,1,0,0,0,1|0,0,0]=2 468 B23R2.533961 CCCCCCCCCC(=O)C1=Cc2cc(ccc2OC1)Br 1458a_100000735388_100000210670 [0,1,0,0,0,1|2,0,0]=4 469 B23R2.533961 CCCCCCCCCC(=O)C1=Cc2cc(ccc2OC1)Cl 1458a_100000020880_100000210670 [0,1,0,0,0,1|2,0,0]=4 470 B23R2.533989 CCCCCCCCCC(=O)c1ccc2cccnc2c1O 1458a_100000036822_100000210670 [0,1,0,0,0,1|2,0,0]=4 471 B23R2.808935 CCCCCCCCCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210319 [0,1,0,0,0,1|2,0,0]=4 472 B23R2.808935 CCCCCCCCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210319 [0,1,0,0,0,1|2,0,0]=4 473 B23R2.808935 CCCCCCCCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210319 [0,1,0,0,0,1|2,0,0]=4 474 B23R2.808935 CCCCCCCCCNC(=O)C1=Cc2ccccc2OC1 11a_100000212291_100000018039 [0,1,0,0,0,1|2,0,0]=4 475 B23R2.808935 CCCCCCCCCNC(=O)C1=Cc2ccccc2OC1 1626a_100000212291_100000018039 [0,1,0,0,0,1|2,0,0]=4 476 B23R2.808935 CCCCCCCCCNC(=O)C1=Cc2ccccc2OC1 240690a_100000212291_100000018039 [0,1,0,0,0,1|2,0,0]=4 477 B23R2.808935 CCCCCCCCCNC(=O)C1=Cc2ccccc2OC1 527a_100000212291_100000018039 [0,1,0,0,0,1|2,0,0]=4 478 B23R2.808935 CCCCCCCCCNC(=O)c1ccc2cccnc2c1 11a_100000212291_100011933907 [0,1,0,0,0,1|2,0,0]=4 479 B23R2.808935 CCCCCCCCCNC(=O)c1ccc2cccnc2c1 1626a_100000212291_100011933907 [0,1,0,0,0,1|2,0,0]=4 480 B23R2.808935 CCCCCCCCCNC(=O)c1ccc2cccnc2c1 240690a_100000212291_100011933907 [0,1,0,0,0,1|2,0,0]=4 481 B23R2.808935 CCCCCCCCCNC(=O)c1ccc2cccnc2c1 527a_100000212291_100011933907 [0,1,0,0,0,1|2,0,0]=4 482 B23R2.808935 CCCCCCCCCNC(=O)c1ccc2ncccc2c1 11a_100000212291_100011216044 [0,1,0,0,0,1|2,0,0]=4 483 B23R2.808935 CCCCCCCCCNC(=O)c1ccc2ncccc2c1 1626a_100000212291_100011216044 [0,1,0,0,0,1|2,0,0]=4 484 B23R2.808935 CCCCCCCCCNC(=O)c1ccc2ncccc2c1 240690a_100000212291_100011216044 [0,1,0,0,0,1|2,0,0]=4 485 B23R2.808935 CCCCCCCCCNC(=O)c1ccc2ncccc2c1 527a_100000212291_100011216044 [0,1,0,0,0,1|2,0,0]=4 486 B23R2.808935 O=C(CCCCCCCCCO)C1=Cc2ccccc2OC1 1458a_100000018039_100009813782 [0,1,0,0,0,1|2,0,0]=4 487 B23R2.808935 O=C(CCCCCCCCCO)c1ccc2cccnc2c1 1458a_100011933907_100009813782 [0,1,0,0,0,1|2,0,0]=4 488 B23R2.808935 O=C(CCCCCCCCCO)c1ccc2ncccc2c1 1458a_100011216044_100009813782 [0,1,0,0,0,1|2,0,0]=4 489 B23R2.9624120 CCCCCCCCCC(=O)c1ccc2nc(ccc2c1)C 1458a_100000691375_100000210670 [0,1,0,0,0,1|2,0,0]=4 490 B23R2.9624120 CCCCCCCCCC(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_100000210670 [0,1,0,0,0,1|2,0,0]=4 491 B23R2.9624218 CCCCCCCCCC(=O)c1cc(c2ncccc2c1)O 1458a_200009880037_100000210670 [0,1,0,0,0,1|2,0,0]=4 492 B23R2.808923 CCCCCCCCNCC(=O)c1cc2cc(ccc2o1)Br 34a_100000229939_100010170448 [0,2,0,0,0,0|2,0,0]=4 493 B23R2.808923 CCCCCCCCOCC(=O)c1cc2cc(ccc2o1)Br 34a_100000210232_100010170448 [0,2,0,0,0,0|2,0,0]=4 494 B23R2.808925 CCCCCCCCNCC(=O)c1oc2ccccc2c1C 2230a_100000229939_100000684729 [0,2,0,0,0,0|2,0,0]=4 495 B23R2.929433 CCCCCCCCC(=O)CC(=O)c1cc2ccccc2o1 1458a_100000210188_100000209828 [0,2,0,0,0,0|2,0,0]=4 496 B23R2.929433 CCCCCCCCN(C)CC(=O)c1cc2ccccc2o1 269982a_100000207567_100000209828 [0,2,0,0,0,0|2,0,0]=4 497 B23R2.929433 CCCCCCCCN(C)CC(=O)c1nc2ccccc2s1 2230a_100000207567_100000198972 [0,2,0,0,0,0|1,1,0]=4 498 B23R2.929433 CCCCCCCCN(C)CC(=O)c1nc2ccccc2s1 269982a_100000207567_100000198972 [0,2,0,0,0,0|1,1,0]=4 499 B23R2.259420 CCCCCCCC(C)SCC(=O)c1nc2ccccc2s1 62a_100000198972_200011218727 [0,2,0,0,0,0|1,1,0]=4 500 B23R2.949211 CCCCCCCCC=NNC(=O)c1nc2ccccc2o1 4a_200000092613_100011218696 [0,2,0,0,0,0|1,0,1]=4 501 B23R2.949211 CCCCCCCCCNCC(=O)c1nc2ccccc2s1 2230a_100000212291_100000198972 [0,2,0,0,0,0|1,1,0]=4 502 B23R2.949211 CCCCCCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000210670 [0,2,0,0,0,0|1,1,0]=4 503 B23R2.949211 O=C(CNCCCCCCCCO)c1nc2ccccc2s1 2230a_102515433106_100000198972 [0,2,0,0,0,0|1,1,0]=4 504 B23R2.949211 O=C(CSCCCCCCCCO)c1cc2ccccc2o1 62a_100000033203_100000209828 [0,2,0,0,0,0|2,0,0]=4 505 B23R2.949211 O=C(CSCCCCCCCCO)c1nc2ccccc2s1 62a_100000198972_100000033203 [0,2,0,0,0,0|1,1,0]=4 506 B23R2.5231167 CC(C)CCCCCCNCC(=O)c1nc2ccccc2s1 2230a_100000211014_100000198972 [0,2,0,0,0,0|1,1,0]=4 507 B21R2.7883 O=C1CCCCCCCCCCC1Oc2cccnc2 34a_100000210849_200009990614 [0,0,1,1,0,0|1,0,1]=4 508 B21R2.7883 O=C1CCCCCCCCCCC1Oc2cccnc2 7a_100000210849_200009990614 [0,0,1,1,0,0|1,0,1]=4 509 B21R2.257667 C/C(=C\c1ccccn1)/C(=O)CCCC2CCCCC2 1458a_100025712827_100011713725 [0,0,1,1,0,0|2,0,0]=4 510 B21R2.257667 O=C(CCCC1CCCCC1)C(=Cc2cccnc2)F 1458a_100000731744_100011713725 [0,0,1,1,0,0|2,0,0]=4 511 B21R2.4848 O=C(C=Cc1ccccc1O)CCCC2CCCCC2 1458a_100016263591_100011713725 [0,0,1,1,0,0|2,0,0]=4 512 B21R3.75855 CCC1CCCCC1OCc2nc3ncccc3o2 7a_100000210738_100000696355 [1,0,0,1,0,0|1,0,1]=4 513 B21R3.534071 CCCC1CCCCN1Cc2nc3ncccc3o2 2230a_100000701414_100000696355 [1,0,0,1,0,0|1,0,1]=4 514 B21R3.2154278 c1cnc2nc(oc2c1)CNCC3CCCCCC3 2230a_100015204231_100000696355 [1,0,0,1,0,0|1,0,1]=4 515 B21R3.2154278 c1cnc2nc(oc2c1)COCC3CCCCCC3 7a_100000699130_100000696355 [1,0,0,1,0,0|1,0,1]=4 516 B21R3.2154278 c1cnc2nc(oc2c1)CSCC3CCCCCC3 62a_200000696569_100000696355 [1,0,0,1,0,0|1,0,1]=4 517 B21R3.2154918 c1cnc2nc(oc2c1)CNC3CCCCCCC3 2230a_100000211152_100000696355 [1,0,0,1,0,0|1,0,1]=4 518 B21R3.2154918 c1cnc2nc(oc2c1)COC3CCCCCCC3 7a_100000210054_100000696355 [1,0,0,1,0,0|1,0,1]=4 519 B21R3.2429731 c1cnc2nc(oc2c1)CNCCCC3CCCC3 2230a_100000736752_100000696355 [1,0,0,1,0,0|1,0,1]=4 520 B21R3.2429731 c1cnc2nc(oc2c1)COCCCC3CCCC3 7a_100011215328_100000696355 [1,0,0,1,0,0|1,0,1]=4 521 B21R3.2429731 c1cnc2nc(oc2c1)CSCCCC3CCCC3 62a_100011713738_100000696355 [1,0,0,1,0,0|1,0,1]=4 522 B21R3.2429969 c1cnc2nc(oc2c1)CNCCC3CCCCC3 2230a_100000738074_100000696355 [1,0,0,1,0,0|1,0,1]=4 523 B21R3.2429969 c1cnc2nc(oc2c1)COCCC3CCCCC3 7a_100011217863_100000696355 [1,0,0,1,0,0|1,0,1]=4 524 B21R3.2429969 c1cnc2nc(oc2c1)CSCCC3CCCCC3 62a_100012355289_100000696355 [1,0,0,1,0,0|1,0,1]=4 525 B21R3.4065989 c1cnc2nc(oc2c1)CN3CCCCCCCC3 2230a_100000039187_100000696355 [1,0,0,1,0,0|1,0,1]=4 526 B23R3.9989722 CC1CCCCC1OCC(=O)Cc2nc3ccccc3o2 1458a_100011223357_100000195508 [0,0,0,1,0,1|2,0,0]=4 527 B23R3.9989722 CC1CCCCC1OCC(=O)Cc2nc3ncccc3o2 1458a_100011223357_100000696355 [0,0,0,1,0,1|1,0,0]=3 528 B23R3.9989722 CN1CCCCC1CCC(=O)Cc2nc3ccccc3o2 1458a_100000718493_100000195508 [0,0,0,1,0,1|2,0,0]=4 529 B23R3.9989722 CN1CCCCC1CCC(=O)Cc2nc3ccccc3o2 1458a_100015185861_100000211948 [0,0,0,1,0,1|2,0,0]=4 530 B23R3.9989722 CN1CCCCC1CCC(=O)Cc2nc3ncccc3o2 1458a_100000718493_100000696355 [0,0,0,1,0,1|1,0,0]=3 531 B23R3.19445676 O=C(CCCC1CCCCC1)Cc2cc3ccccc3o2 1458a_100000735538_100011713725 [0,0,0,1,0,1|2,0,0]=4 532 B23R3.19445676 O=C(CCCC1CCCCC1)Cc2nc3ccccc3[nH]2 1458a_100000211478_100000737899 [0,0,0,1,0,1|2,0,0]=4 533 B23R3.19445676 O=C(CCCC1CCCCC1)Cc2nc3ccccc3o2 1458a_100000211478_100000195508 [0,0,0,1,0,1|1,0,0]=3 534 B23R3.19445676 O=C(CCCC1CCCCC1)Cc2nc3ccccc3o2 1458a_100015185861_100011713725 [0,0,0,1,0,1|1,0,0]=3 535 B23R3.19445676 O=C(CCCC1CCCCC1)Cc2nc3ccccc3s2 1458a_100000211478_100011217541 [0,0,0,1,0,1|1,1,0]=4 536 B23R3.19445676 O=C(CCCC1CCCCC1)Cc2nc3cccnc3[nH]2 1458a_100000211478_100011549802 [0,0,0,1,0,1|1,0,1]=4 537 B23R3.19445676 O=C(CCCC1CCCCC1)Cc2nc3ncccc3o2 1458a_100000211478_100000696355 [0,0,0,1,0,1|0,0,0]=2 538 B23R3.19445676 O=C(CCCN1CCCCC1)Cc2nc3ccccc3o2 1458a_100000742516_100000195508 [0,0,0,1,0,1|2,0,0]=4 539 B23R3.19445676 O=C(CCCN1CCCCC1)Cc2nc3ccccc3o2 1458a_100015185861_100000690320 [0,0,0,1,0,1|2,0,0]=4 540 B23R3.19445676 O=C(CCCN1CCCCC1)Cc2nc3ncccc3o2 1458a_100000742516_100000696355 [0,0,0,1,0,1|1,0,0]=3 541 B23R3.19445676 O=C(CCOC1CCCCC1)Cc2nc3ccccc3o2 1458a_100015185861_100011211530 [0,0,0,1,0,1|2,0,0]=4 542 B23R3.19445676 O=C(COCC1CCCCO1)Cc2nc3ncccc3o2 1458a_100011223378_100000696355 [0,0,0,1,0,1|2,0,0]=4 543 B23R3.20144624 CCCN1CCCCC1C(=O)Cc2nc3ccccc3o2 1458a_100000743559_100000195508 [0,0,0,1,0,1|2,0,0]=4 544 B23R3.20144624 CCCN1CCCCC1C(=O)Cc2nc3ncccc3o2 1458a_100000743559_100000696355 [0,0,0,1,0,1|1,0,0]=3 545 B23R3.151470784 O=C(CCCC[C@@H]1CCSS1)Cc2nc3ncccc3o2 1458a_100009816572_100000696355 [0,0,0,1,0,1|2,0,0]=4 546 B23R3.151470784 O=C(CSCCN1CCCC1)Cc2nc3ncccc3o2 1458a_200015187850_100000696355 [0,0,0,1,0,1|2,0,0]=4 547 B23R3.151708295 O=C(CCN1CCCCCC1)Cc2nc3ccccc3o2 1458a_100000740320_100000195508 [0,0,0,1,0,1|2,0,0]=4 548 B23R3.151708295 O=C(CCN1CCCCCC1)Cc2nc3ccccc3o2 1458a_100015185861_100000722644 [0,0,0,1,0,1|2,0,0]=4 549 B23R3.151708295 O=C(CCN1CCCCCC1)Cc2nc3ncccc3o2 1458a_100000740320_100000696355 [0,0,0,1,0,1|1,0,0]=3 550 B23R3.938284 O=C(CCCC1CCCCC1)C2=Cc3ccccc3OC2 1458a_100000018039_100011713725 [0,0,0,1,0,1|2,0,0]=4 551 B23R3.938284 O=C(CCCC1CCCCC1)c2ccc3cccnc3c2 1458a_100011933907_100011713725 [0,0,0,1,0,1|2,0,0]=4 552 B23R3.938284 O=C(CCCC1CCCCC1)c2ccc3ncccc3c2 1458a_100011216044_100011713725 [0,0,0,1,0,1|2,0,0]=4 553 B23R3.151556801 O=C(CNCCCC1CCCC1)c2nc3ccccc3s2 2230a_100000736752_100000198972 [0,1,0,1,0,0|1,1,0]=4 554 B23R3.151556801 O=C(CSCCCC1CCCC1)c2cc3ccccc3o2 62a_100011713738_100000209828 [0,1,0,1,0,0|2,0,0]=4 555 B23R3.151556801 O=C(CSCCCC1CCCC1)c2nc3ccccc3s2 62a_100000198972_100011713738 [0,1,0,1,0,0|1,1,0]=4 556 B23R3.151438564 O=C(CN1CCCCCCCC1)c2cc3ccccc3o2 269982a_100000039187_100000209828 [0,1,0,1,0,0|2,0,0]=4 557 B23R3.151438564 O=C(CN1CCCCCCCC1)c2nc3ccccc3s2 2230a_100000039187_100000198972 [0,1,0,1,0,0|1,1,0]=4 558 B23R3.151438564 O=C(CN1CCCCCCCC1)c2nc3ccccc3s2 269982a_100000039187_100000198972 [0,1,0,1,0,0|1,1,0]=4 559 B23R3.19444762 O=C(CNCCC1CCCCC1)c2nc3ccccc3s2 2230a_100000738074_100000198972 [0,1,0,1,0,0|1,1,0]=4 560 B23R3.19444762 O=C(CSCCC1CCCCC1)c2cc3ccccc3o2 62a_100012355289_100000209828 [0,1,0,1,0,0|2,0,0]=4 561 B23R3.19444762 O=C(CSCCC1CCCCC1)c2nc3ccccc3s2 62a_100000198972_100012355289 [0,1,0,1,0,0|1,1,0]=4 562 B23R3.20129821 CCCC1CCCCN1CC(=O)c2cc3ccccc3o2 269982a_100000701414_100000209828 [0,1,0,1,0,0|2,0,0]=4 563 B23R3.20129821 CCCC1CCCCN1CC(=O)c2nc3ccccc3s2 2230a_100000701414_100000198972 [0,1,0,1,0,0|1,1,0]=4 564 B23R3.20129821 CCCC1CCCCN1CC(=O)c2nc3ccccc3s2 269982a_100000701414_100000198972 [0,1,0,1,0,0|1,1,0]=4 565 B23R3.151510322 O=C(CNCC1CCCCCC1)c2nc3ccccc3s2 2230a_100015204231_100000198972 [0,1,0,1,0,0|1,1,0]=4 566 B23R3.151510322 O=C(CSCC1CCCCCC1)c2cc3ccccc3o2 62a_200000696569_100000209828 [0,1,0,1,0,0|2,0,0]=4 567 B23R3.151510322 O=C(CSCC1CCCCCC1)c2nc3ccccc3s2 62a_100000198972_200000696569 [0,1,0,1,0,0|1,1,0]=4 568 B23R3.151709821 O=C(CNC1CCCCCCC1)c2nc3ccccc3s2 2230a_100000211152_100000198972 [0,1,0,1,0,0|1,1,0]=4 569 B19R1.338 C=C(C(=O)CCCCCCCCC)c1ccccc1 1458a_100000065200_100000210670 [0,0,1,0,1,0|2,0,0]=4 570 B19R1.338 CCCCCCCCCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210670 [0,0,1,0,1,0|1,0,1]=4 571 B19R1.338 CCCCCCCCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210670 [0,0,1,0,1,0|1,0,1]=4 572 B19R1.30526 CCCCCCCCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210670 [0,0,1,0,1,0|1,0,1]=4 573 B19R1.30526 CCCCCCCCCC(=O)Cc1cccnc1Br 1458a_100000210558_100010140945 [0,0,1,0,1,0|1,0,1]=4 574 B19R1.30526 CCCCCCCCCC(=O)Cc1cccnc1C 1458a_100000210558_100000732876 [0,0,1,0,1,0|1,0,1]=4 575 B19R1.30526 CCCCCCCCCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210670 [0,0,1,0,1,0|1,0,1]=4 576 B19R1.30526 CCCCCCCCCC(=O)Cc1cccnc1Cl 1458a_100000210558_100000045678 [0,0,1,0,1,0|1,0,1]=4 577 B19R1.30526 CCCCCCCCCC(=O)Cc1cccnc1F 1458a_100000210558_100000099810 [0,0,1,0,1,0|1,0,1]=4 578 B19R1.30526 CCCCCCCCCC(=O)Cc1ncccc1Br 1458a_100000210558_100025702911 [0,0,1,0,1,0|1,0,1]=4 579 B19R1.30526 CCCCCCCCCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210670 [0,0,1,0,1,0|1,0,1]=4 580 B19R1.30526 CCCCCCCCCC(=O)Cc1ncccc1C 1458a_100000210558_100000696600 [0,0,1,0,1,0|1,0,1]=4 581 B19R1.30526 CCCCCCCCCC(=O)Cc1ncccc1C 1458a_200000722269_100000210670 [0,0,1,0,1,0|1,0,1]=4 582 B19R1.30526 CCCCCCCCCC(=O)Cc1ncccc1Cl 1458a_100000210558_100000099807 [0,0,1,0,1,0|1,0,1]=4 583 B19R1.30526 CCCCCCCCCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210670 [0,0,1,0,1,0|1,0,1]=4 584 B19R1.30526 CCCCCCCCCC(=O)Cc1ncccc1F 1458a_100000210558_100000104219 [0,0,1,0,1,0|1,0,1]=4 585 B19R1.30526 CCCCCCCCCC(=O)Cc1ncccc1O 1458a_100000210558_200020655725 [0,0,1,0,1,0|0,0,1]=3 586 B19R1.30526 CCCCCCCCCC(=O)Nc1ccccc1O 22a_100000185747_100000210558 [0,0,1,0,1,0|1,0,1]=4 587 B19R1.30526 CCCCCCCCCC(=O)Nc1ccccc1O 527a_100000185747_100000210558 [0,0,1,0,1,0|1,0,1]=4 588 B21R1.40793 CCCCCCCCCC(=O)CC(=O)Nc1ccccn1 1458a_100000210558_100020662008 [0,0,1,0,0,1|0,0,2]=4 589 B21R1.40793 CCCCCCCCCC(=O)CC(=O)Oc1ccccc1 1458a_100000210558_100009813826 [0,0,1,0,0,1|2,0,0]=4 590 B21R1.78153 CCCCCCCCCC(=O)NN=Cc1ccccc1O 4a_100011221126_100000185834 [0,0,1,0,0,1|2,0,0]=4 591 B21R1.78153 CCCCCCCCCC(=O)NN=Cc1ncccc1Br 4a_100011221126_100011934733 [0,0,1,0,0,1|2,0,0]=4 592 B21R1.78153 CCCCCCCCCC(=O)NN=Cc1ncccc1C 4a_100011221126_100000698913 [0,0,1,0,0,1|2,0,0]=4 593 B21R1.78153 CCCCCCCCCC(=O)NN=Cc1ncccc1Cl 4a_100011221126_100012001307 [0,0,1,0,0,1|2,0,0]=4 594 B21R1.78153 CCCCCCCCCC(=O)NN=Cc1ncccc1F 4a_100011221126_100011934734 [0,0,1,0,0,1|2,0,0]=4 595 B21R1.78153 CCCCCCCCCC(=O)NN=Cc1ncccc1O 4a_100011221126_100000042352 [0,0,1,0,0,1|1,0,0]=3 596 B21R1.78153 CCCCCCCCCC(=O)OCOc1cccnc1Br 34a_100000744436_200010990708 [0,0,1,0,0,1|1,0,1]=4 597 B21R1.78153 CCCCCCCCCC(=O)OCOc1cccnc1Br 7a_100000744436_200010990708 [0,0,1,0,0,1|1,0,1]=4 598 B21R1.78153 CCCCCCCCCC(=O)OCOc1cccnc1C 34a_100000745507_200010990708 [0,0,1,0,0,1|1,0,1]=4 599 B21R1.78153 CCCCCCCCCC(=O)OCOc1cccnc1C 7a_100000745507_200010990708 [0,0,1,0,0,1|1,0,1]=4 600 B21R1.78153 CCCCCCCCCC(=O)OCOc1cccnc1Cl 34a_100000757616_200010990708 [0,0,1,0,0,1|1,0,1]=4 601 B21R1.78153 CCCCCCCCCC(=O)OCOc1cccnc1Cl 7a_100000757616_200010990708 [0,0,1,0,0,1|1,0,1]=4 602 B21R1.78153 CCCCCCCCCC(=O)OCOc1cccnc1F 34a_100000061740_200010990708 [0,0,1,0,0,1|1,0,1]=4 603 B21R1.78153 CCCCCCCCCC(=O)OCOc1cccnc1F 7a_100000061740_200010990708 [0,0,1,0,0,1|1,0,1]=4 604 B21R1.78153 CCCCCCCCCC(=O)OCOc1cccnc1I 34a_100000034122_200010990708 [0,0,1,0,0,1|1,0,1]=4 605 B21R1.78153 CCCCCCCCCC(=O)OCOc1cccnc1I 7a_100000034122_200010990708 [0,0,1,0,0,1|1,0,1]=4 606 B21R1.78153 CCCCCCCCCC(=O)OCOc1cccnc1N 34a_100000211975_200010990708 [0,0,1,0,0,1|0,0,2]=4 607 B21R1.78153 CCCCCCCCCC(=O)OCOc1cccnc1N 7a_100000211975_200010990708 [0,0,1,0,0,1|0,0,2]=4 608 B21R1.78153 CCCCCCCCCC(=O)OCSc1ncccc1O 62a_100000034122_200010990708 [0,0,1,0,0,1|1,0,1]=4 609 B21R2.29549 CCCCCCCCCCc1ccc2cccnc2n1 271570a_100000061613_100009888989 [1,0,0,0,0,1|1,0,1]=4 610 B21R2.29549 CCCCCCCCCCc1cnc2ncccc2n1 271570a_100000061613_100000084304 [1,0,0,0,0,1|1,0,1]=4 611 B21R2.29549 CCCCCCCCCNc1ccc2cccnc2n1 27a_100000212291_100000075685 [1,0,0,0,0,1|2,0,0]=4 612 B21R2.29549 CCCCCCCCCNc1cnc2cccnc2n1 27a_100000212291_200010275043 [1,0,0,0,0,1|2,0,0]=4 613 B21R2.29549 CCCCCCCCCNc1cnc2ncccc2n1 27a_100000212291_100000084304 [1,0,0,0,0,1|2,0,0]=4 614 B21R2.29549 CCCCCCCCCNc1ncc2cccnc2n1 27a_100000212291_100009875485 [1,0,0,0,0,1|2,0,0]=4 615 B21R2.29549 CCCCCCCCCSc1ccc2cccnc2n1 62a_100000075685_100000210670 [1,0,0,0,0,1|2,0,0]=4 616 B21R2.29549 CCCCCCCCCSc1cnc2cccnc2n1 62a_200010275043_100000210670 [1,0,0,0,0,1|2,0,0]=4 617 B21R2.29549 CCCCCCCCCSc1cnc2ncccc2n1 62a_100000084304_100000210670 [1,0,0,0,0,1|2,0,0]=4 618 B21R2.29549 CCCCCCCCCSc1ncc2cccnc2n1 62a_100009875485_100000210670 [1,0,0,0,0,1|2,0,0]=4 619 B21R2.67369 CCCCCCCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210759 [1,0,0,0,0,1|2,0,0]=4 620 B21R2.67369 CCCCCCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210759 [1,0,0,0,0,1|2,0,0]=4 621 B21R2.67369 CCCCCCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210759 [1,0,0,0,0,1|2,0,0]=4 622 B23R2.941499 CCCCCCCCCC(=NNc1nc2ccccc2o1)C 4a_100000182307_100011215753 [0,0,0,0,0,2|2,0,0]=4 623 B23R2.941499 CCCCCCCCCC(=O)C=Cc1nc2ccccc2o1 1458a_100000697878_100000210670 [0,0,0,0,0,2|1,0,0]=3 624 B23R2.941499 CCCCCCCCCC(=O)CCc1nc2ccccc2[nH]1 1458a_100102526157_100000210670 [0,0,0,0,0,2|2,0,0]=4 625 B23R2.941499 CCCCCCCCCC(=O)CCc1nc2ccccc2s1 1458a_100000182949_100000210670 [0,0,0,0,0,2|1,1,0]=4 626 B23R2.941499 CCCCCCCCCC(=O)CSc1nc2ccccc2[nH]1 1458a_100000179484_100000210670 [0,0,0,0,0,2|2,0,0]=4 627 B23R2.941499 CCCCCCCCCC(=O)CSc1nc2ccccc2o1 1458a_200000179485_100000210670 [0,0,0,0,0,2|1,0,0]=3 628 B23R2.941499 CCCCCCCCCC(=O)NCc1cc2ccccc2o1 11a_100011220112_100000210558 [0,0,0,0,0,2|2,0,0]=4 629 B23R2.941499 CCCCCCCCCC(=O)NCc1cc2ccccc2o1 1626a_100011220112_100000210558 [0,0,0,0,0,2|2,0,0]=4 630 B23R2.941499 CCCCCCCCCC(=O)NCc1cc2ccccc2o1 240690a_100011220112_100000210558 [0,0,0,0,0,2|2,0,0]=4 631 B23R2.941499 CCCCCCCCCC(=O)NCc1cc2ccccc2o1 527a_100011220112_100000210558 [0,0,0,0,0,2|2,0,0]=4 632 B23R2.941499 CCCCCCCCCC(=O)NCc1cn2cccnc2n1 11a_100025705072_100000210558 [0,0,0,0,0,2|2,0,0]=4 633 B23R2.941499 CCCCCCCCCC(=O)NCc1cn2cccnc2n1 1626a_100025705072_100000210558 [0,0,0,0,0,2|2,0,0]=4 634 B23R2.941499 CCCCCCCCCC(=O)NCc1cn2cccnc2n1 240690a_100025705072_100000210558 [0,0,0,0,0,2|2,0,0]=4 635 B23R2.941499 CCCCCCCCCC(=O)NCc1cn2cccnc2n1 527a_100025705072_100000210558 [0,0,0,0,0,2|2,0,0]=4 636 B23R2.941499 CCCCCCCCCC(=O)NCc1nc2ccccc2[nH]1 240690a_100000729406_100000210558 [0,0,0,0,0,2|2,0,0]=4 637 B23R2.941499 CCCCCCCCCC(=O)NCc1nc2ccccc2[nH]1 527a_100000729406_100000210558 [0,0,0,0,0,2|2,0,0]=4 638 B23R2.941499 CCCCCCCCCC(=O)NCc1nc2ccccc2o1 11a_100000733820_100000210558 [0,0,0,0,0,2|1,0,0]=3 639 B23R2.941499 CCCCCCCCCC(=O)NCc1nc2ccccc2o1 1626a_100000733820_100000210558 [0,0,0,0,0,2|1,0,0]=3 640 B23R2.941499 CCCCCCCCCC(=O)NCc1nc2ccccc2o1 240690a_100000733820_100000210558 [0,0,0,0,0,2|1,0,0]=3 641 B23R2.941499 CCCCCCCCCC(=O)NCc1nc2ccccc2o1 527a_100000733820_100000210558 [0,0,0,0,0,2|1,0,0]=3 642 B23R2.941499 CCCCCCCCCC(=O)NCc1nc2ccccc2s1 11a_100000174905_100000210558 [0,0,0,0,0,2|1,1,0]=4 643 B23R2.941499 CCCCCCCCCC(=O)NCc1nc2ccccc2s1 1626a_100000174905_100000210558 [0,0,0,0,0,2|1,1,0]=4 644 B23R2.941499 CCCCCCCCCC(=O)NCc1nc2ccccc2s1 240690a_100000174905_100000210558 [0,0,0,0,0,2|1,1,0]=4 645 B23R2.941499 CCCCCCCCCC(=O)NCc1nc2ccccc2s1 527a_100000174905_100000210558 [0,0,0,0,0,2|1,1,0]=4 646 B23R2.941499 CCCCCCCCCC(=O)NNc1nc2ccccc2[nH]1 22a_100000188875_100000210558 [0,0,0,0,0,2|2,0,0]=4 647 B23R2.941499 CCCCCCCCCC(=O)NNc1nc2ccccc2o1 22a_100000182307_100000210558 [0,0,0,0,0,2|1,0,0]=3 648 B23R2.941499 CCCCCCCCCC(=O)NNc1nc2ccccc2s1 22a_100000181811_100000210558 [0,0,0,0,0,2|1,1,0]=4 649 B23R2.941499 CCCCCCCCCC(C)OCc1nc2ncccc2o1 7a_100011218016_100000696355 [0,0,0,0,0,2|1,0,1]=4 650 B23R2.941499 CCCCCCCCNC(=O)C=Cc1nc2ccccc2o1 11a_100000229939_100000697878 [0,0,0,0,0,2|2,0,0]=4 651 B23R2.941499 CCCCCCCCNC(=O)C=Cc1nc2ccccc2o1 240690a_100000229939_100000697878 [0,0,0,0,0,2|2,0,0]=4 652 B23R2.941499 CCCCCCCCNC(=O)CSc1nc2ccccc2o1 527a_100000229939_200000179485 [0,0,0,0,0,2|2,0,0]=4 653 B23R2.941499 CCCCCCCCNC(=O)NCc1nc2ccccc2o1 2708a_100000229939_100000733820 [0,0,0,0,0,2|2,0,0]=4 654 B23R2.941499 CCCCCCCCNC(=O)NCc1nc2ccccc2o1 2708a_100000733820_100000229939 [0,0,0,0,0,2|2,0,0]=4 655 B23R2.941499 CCCCCCCCNC(=O)NCc1nc2ccccc2o1 273464a_100000229939_100000733820 [0,0,0,0,0,2|2,0,0]=4 656 B23R2.941499 CCCCCCCCNC(=O)NCc1nc2ccccc2o1 273464a_100000733820_100000229939 [0,0,0,0,0,2|2,0,0]=4 657 B23R2.941499 CCCCCCCCNC(=O)NCc1nc2ccccc2o1 512a_100000229939_100000733820 [0,0,0,0,0,2|2,0,0]=4 658 B23R2.941499 CCCCCCCCNC(=O)NCc1nc2ccccc2o1 512a_100000733820_100000229939 [0,0,0,0,0,2|2,0,0]=4 659 B23R2.941499 CCCCCCCCNC(=O)NNc1nc2ccccc2o1 273464a_100000229939_100000182307 [0,0,0,0,0,2|2,0,0]=4 660 B23R2.941499 CCCCCCCCNC(=O)NNc1nc2ccccc2o1 512a_100000182307_100000229939 [0,0,0,0,0,2|2,0,0]=4 661 B23R2.941499 CCCCCCCCNC(=O)NNc1nc2ccccc2o1 512a_100000229939_100000182307 [0,0,0,0,0,2|2,0,0]=4 662 B23R2.941499 O=C(C=Cc1nc2ccccc2o1)CCCCCCCCO 1458a_100000697878_100000033203 [0,0,0,0,0,2|2,0,0]=4 663 B23R2.941499 O=C(CCCCCCCCO)CSc1nc2ccccc2o1 1458a_200000179485_100000033203 [0,0,0,0,0,2|2,0,0]=4 664 B23R2.941499 O=C(CCCCCCCCO)NCc1nc2ccccc2o1 240690a_100000733820_100000015970 [0,0,0,0,0,2|2,0,0]=4 665 B23R2.941499 O=C(CCCCCCCCO)NNc1nc2ccccc2o1 22a_100000182307_100000015970 [0,0,0,0,0,2|2,0,0]=4 666 B23R2.941524 CCCCCCCCCC(=O)Cc1cc2ccccc2cn1 1458a_100000210558_100009869231 [0,0,0,0,0,2|2,0,0]=4 667 B23R2.941524 CCCCCCCCCC(=O)Cc1ccc2ccccc2n1 1458a_100000210558_100000737579 [0,0,0,0,0,2|2,0,0]=4 668 B23R2.941524 CCCCCCCCCC(=O)Cc1ccc2ncccc2c1 1458a_100000210558_100000703657 [0,0,0,0,0,2|2,0,0]=4 669 B23R2.941524 CCCCCCCCCC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_100000210670 [0,0,0,0,0,2|2,0,0]=4 670 B23R2.941524 CCCCCCCCCC(=O)Cc1cnc2ccccc2n1 1458a_100000210558_200000751123 [0,0,0,0,0,2|2,0,0]=4 671 B23R2.941524 CCCCCCCCCC(=O)Cc1ncc2ccccc2n1 1458a_100000210558_100009868571 [0,0,0,0,0,2|2,0,0]=4 672 B23R2.941524 CCCCCCCCCC(=O)Nc1ccc2cccnc2c1 11a_100102887122_100000210558 [0,0,0,0,0,2|2,0,0]=4 673 B23R2.941524 CCCCCCCCCC(=O)Nc1ccc2cccnc2c1 1626a_100102887122_100000210558 [0,0,0,0,0,2|2,0,0]=4 674 B23R2.941524 CCCCCCCCCC(=O)Nc1ccc2cccnc2c1 22a_100102887122_100000210558 [0,0,0,0,0,2|2,0,0]=4 675 B23R2.941524 CCCCCCCCCC(=O)Nc1ccc2cccnc2c1 527a_100102887122_100000210558 [0,0,0,0,0,2|2,0,0]=4 676 B23R2.941524 CCCCCCCCCC(=O)Nc1ccc2ncccc2c1 11a_100011198106_100000210558 [0,0,0,0,0,2|2,0,0]=4 677 B23R2.941524 CCCCCCCCCC(=O)Nc1ccc2ncccc2c1 1626a_100011198106_100000210558 [0,0,0,0,0,2|2,0,0]=4 678 B23R2.941524 CCCCCCCCCC(=O)Nc1ccc2ncccc2c1 22a_100011198106_100000210558 [0,0,0,0,0,2|2,0,0]=4 679 B23R2.941524 CCCCCCCCCC(=O)Nc1ccc2ncccc2c1 527a_100011198106_100000210558 [0,0,0,0,0,2|2,0,0]=4 680 B23R2.533970 CCCCCCCCCC(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_100000210670 [0,0,0,0,0,2|2,0,0]=4