0 B22R4.1716 c1ccc2c(c1)CCCC2OC3Cc4c3cccc4 7a_100000183665_100009813401 [0,0,0,0,1,0|2,0,1]=4 1 B22R4.4503 c1ccc2c(c1)CC(C2)NC3CCc4c3cccc4 2230a_100000753258_200000721974 [0,0,0,0,1,0|2,0,1]=4 2 B22R4.4503 c1ccc2c(c1)CC(C2)NC3CCc4c3cccc4 269862a_100000753258_100000212051 [0,0,0,0,1,0|2,0,1]=4 3 B22R4.4503 c1ccc2c(c1)CC(C2)N[C@H]3CCc4c3cccc4 34a_100016989578_100000753484 [0,0,0,0,1,0|2,0,1]=4 4 B22R4.4503 c1ccc2c(c1)CCC2Sc3nc4cccnc4s3 62a_100010188088_200000721974 [0,0,0,0,1,0|3,0,0]=4 5 B22R4.4503 c1ccc2c(c1)CC[C@@H]2Nc3nc4ccccc4[nH]3 27a_100016989578_100009814255 [0,0,0,0,1,0|0,0,0]=1 6 B22R4.4503 c1ccc2c(c1)CC[C@@H]2Nc3nc4ccccc4s3 27a_100016989578_100000751744 [0,0,0,0,1,0|1,0,0]=2 7 B22R4.4503 c1ccc2c(c1)CC[C@@H]2Nc3nc4cccnc4s3 27a_100016989578_100010188088 [0,0,0,0,1,0|2,0,0]=3 8 B22R4.4503 c1ccc2c(c1)CC[C@@H]2Nc3nc4cnccn4n3 27a_100016989578_100010748104 [0,0,0,0,1,0|2,0,1]=4 9 B22R4.4503 c1ccc2c(c1)OCC2Nc3nc4ccccc4[nH]3 27a_100000747519_100009814255 [0,0,0,0,1,0|1,0,0]=2 10 B22R4.4503 c1ccc2c(c1)OCC2Nc3nc4ccccc4s3 27a_100000747519_100000751744 [0,0,0,0,1,0|2,0,0]=3 11 B22R4.4503 c1ccc2c(c1)OCC2Nc3nc4cccnc4s3 27a_100000747519_100010188088 [0,0,0,0,1,0|3,0,0]=4 12 B22R4.4561 c1ccc2c(c1)CCC[C@@H]2Nc3nn4ccnc4s3 27a_100020654734_100011333511 [0,0,0,0,1,0|3,0,0]=4 13 B21R3.3124 C(=NNC1CCCc2c1cccc2)c3ccccc3 4a_100159326319_100015611070 [1,0,1,0,0,0|2,0,0]=4 14 B21R3.3124 c1ccc(cc1)CCNC2CCCc3c2cccc3 269862a_100000106460_100000210882 [1,0,1,0,0,0|1,0,1]=4 15 B21R3.3124 c1ccc(cc1)CCN[C@H]2CCCc3c2cccc3 34a_100020654734_100000765856 [1,0,1,0,0,0|1,0,1]=4 16 B21R3.2502 CCC(Nc1nc2ccccc2[nH]1)c3ccccc3 27a_100000737752_100009814255 [1,0,1,0,0,0|0,0,0]=2 17 B21R3.2502 CCC(Nc1nc2ccccc2[nH]1)c3ccccn3 27a_100015186561_100009814255 [1,0,1,0,0,0|1,0,0]=3 18 B21R3.2502 CCC(Nc1nc2ccccc2[nH]1)c3cccnc3 27a_100000246009_100009814255 [1,0,1,0,0,0|1,0,0]=3 19 B21R3.2502 CCC(Nc1nc2ccccc2[nH]1)c3ccncc3 27a_100000246010_100009814255 [1,0,1,0,0,0|1,0,0]=3 20 B21R3.2502 CCC(Nc1nc2ccccc2[nH]1)c3cnccn3 27a_200016994365_100009814255 [1,0,1,0,0,0|2,0,0]=4 21 B21R3.2502 CCC(Nc1nc2ccccc2s1)c3ccccc3 27a_100000737752_100000751744 [1,0,1,0,0,0|1,0,0]=3 22 B21R3.2502 CCC(Nc1nc2ccccc2s1)c3ccccn3 27a_100015186561_100000751744 [1,0,1,0,0,0|2,0,0]=4 23 B21R3.2502 CCC(Nc1nc2ccccc2s1)c3cccnc3 27a_100000246009_100000751744 [1,0,1,0,0,0|2,0,0]=4 24 B21R3.2502 CCC(Nc1nc2ccccc2s1)c3ccncc3 27a_100000246010_100000751744 [1,0,1,0,0,0|2,0,0]=4 25 B21R3.2502 CCC(Nc1nc2cccnc2s1)c3ccccc3 27a_100000737752_100010188088 [1,0,1,0,0,0|2,0,0]=4 26 B21R3.2502 CCN(Cc1nc2ccccc2[nH]1)c3ccccc3 2230a_100000210013_100000737899 [1,0,1,0,0,0|2,0,0]=4 27 B21R3.2502 CCN(Cc1nc2ccccc2[nH]1)c3ccccc3 269982a_100000210013_100000737899 [1,0,1,0,0,0|2,0,0]=4 28 B21R3.2502 OCC(Nc1nc2ccccc2[nH]1)c3ccccn3 27a_100015196888_100009814255 [1,0,1,0,0,0|2,0,0]=4 29 B21R3.2502 OC[C@@H](Nc1nc2ccccc2[nH]1)c3ccccc3 27a_100000751927_100009814255 [1,0,1,0,0,0|1,0,0]=3 30 B21R3.2502 OC[C@@H](Nc1nc2ccccc2[nH]1)c3ccncc3 27a_100138412524_100009814255 [1,0,1,0,0,0|2,0,0]=4 31 B21R3.2502 OC[C@@H](Nc1nc2ccccc2s1)c3ccccc3 27a_100000751927_100000751744 [1,0,1,0,0,0|2,0,0]=4 32 B21R3.75855 C#Cc1ccccc1CNc2nc3ccccc3[nH]2 27a_100020634229_100009814255 [1,0,1,0,0,0|0,0,2]=4 33 B21R3.75855 CCc1ccccc1NCc2nc3ccccc3[nH]2 207a_100000212081_100000185668 [1,0,1,0,0,0|2,0,0]=4 34 B21R3.75855 CCc1ccccc1NCc2nc3ccccc3[nH]2 2230a_100000212081_100000737899 [1,0,1,0,0,0|2,0,0]=4 35 B21R3.75855 CCc1ccccc1NCc2nc3ccccc3[nH]2 7a_100000212081_100000737899 [1,0,1,0,0,0|2,0,0]=4 36 B21R3.75855 CCc1ccccc1OCc2nc3ccccc3[nH]2 7a_100000210936_100000737899 [1,0,1,0,0,0|2,0,0]=4 37 B21R3.75855 CCc1ccccc1SCc2nc3ccccc3[nH]2 62a_100011215823_100000737899 [1,0,1,0,0,0|2,0,0]=4 38 B21R3.75855 COc1ccccc1CNc2nc3ccccc3[nH]2 27a_100000188900_100009814255 [1,0,1,0,0,0|1,0,0]=3 39 B21R3.75855 COc1ccccc1CNc2nc3ccccc3s2 27a_100000188900_100000751744 [1,0,1,0,0,0|2,0,0]=4 40 B21R3.75855 COc1ccccc1CSc2nc3ccccc3[nH]2 62a_100000210004_100009814255 [1,0,1,0,0,0|2,0,0]=4 41 B21R3.75855 COc1ncccc1CNc2nc3ccccc3[nH]2 27a_100102524934_100009814255 [1,0,1,0,0,0|2,0,0]=4 42 B21R3.75855 CSc1ccccc1CNc2nc3ccccc3[nH]2 27a_102495365025_100009814255 [1,0,1,0,0,0|1,0,0]=3 43 B21R3.75855 CSc1ccccc1CNc2nc3ccccc3s2 27a_102495365025_100000751744 [1,0,1,0,0,0|2,0,0]=4 44 B21R3.75855 CSc1ccccc1CSc2nc3ccccc3[nH]2 62a_100000699184_100009814255 [1,0,1,0,0,0|2,0,0]=4 45 B21R3.75855 N#Cc1ccccc1CNc2nc3ccccc3[nH]2 27a_100016989011_100009814255 [1,0,1,0,0,0|1,0,1]=4 46 B21R3.75855 OCc1ccccc1CNc2nc3ccccc3[nH]2 27a_100000743596_100009814255 [1,0,1,0,0,0|1,0,0]=3 47 B21R3.75855 OCc1ccccc1CNc2nc3ccccc3s2 27a_100000743596_100000751744 [1,0,1,0,0,0|2,0,0]=4 48 B21R3.75855 OCc1ccccc1CSc2nc3ccccc3[nH]2 62a_100009816955_100009814255 [1,0,1,0,0,0|2,0,0]=4 49 B21R3.3965166 CC(Nc1nc2ccccc2[nH]1)c3ccccc3Br 27a_100000181357_100009814255 [1,0,1,0,0,0|1,0,0]=3 50 B21R3.3965166 CC(Nc1nc2ccccc2[nH]1)c3ccccc3Cl 27a_100000174978_100009814255 [1,0,1,0,0,0|1,0,0]=3 51 B21R3.3965166 CC(Nc1nc2ccccc2[nH]1)c3ccccc3F 27a_100000181408_100009814255 [1,0,1,0,0,0|1,0,0]=3 52 B21R3.3965166 CC(Nc1nc2ccccc2[nH]1)c3cccnc3O 27a_100159269580_100009814255 [1,0,1,0,0,0|2,0,0]=4 53 B21R3.3965166 CC(Nc1nc2ccccc2[nH]1)c3ncccc3Br 27a_100159271932_100009814255 [1,0,1,0,0,0|2,0,0]=4 54 B21R3.3965166 CC(Nc1nc2ccccc2s1)c3ccccc3F 27a_100000181408_100000751744 [1,0,1,0,0,0|2,0,0]=4 55 B21R3.3965166 CC(Sc1nc2ccccc2[nH]1)c3ccccc3F 62a_200000741388_100009814255 [1,0,1,0,0,0|2,0,0]=4 56 B21R3.3965166 C[C@@H](Nc1nc2ccccc2[nH]1)c3ccccc3O 27a_100025703389_100009814255 [1,0,1,0,0,0|1,0,0]=3 57 B21R3.3965166 C[C@@H](Nc1nc2ccccc2s1)c3ccccc3O 27a_100025703389_100000751744 [1,0,1,0,0,0|2,0,0]=4 58 B21R3.3965166 Cc1ccccc1C(C)Nc2nc3ccccc3[nH]2 27a_100000181355_100009814255 [1,0,1,0,0,0|0,0,0]=2 59 B21R3.3965166 Cc1ccccc1C(C)Nc2nc3ccccc3s2 27a_100000181355_100000751744 [1,0,1,0,0,0|1,0,0]=3 60 B21R3.3965166 Cc1ccccc1C(C)Nc2nc3cccnc3s2 27a_100000181355_100010188088 [1,0,1,0,0,0|2,0,0]=4 61 B21R3.3965166 Cc1ccccc1N(C)Cc2nc3ccccc3[nH]2 2230a_100000219699_100000737899 [1,0,1,0,0,0|2,0,0]=4 62 B21R3.3965166 Cc1ccccc1N(C)Cc2nc3ccccc3[nH]2 269982a_100000219699_100000737899 [1,0,1,0,0,0|2,0,0]=4 63 B21R3.3965166 Cc1cccnc1C(C)Nc2nc3ccccc3[nH]2 27a_100011536111_100009814255 [1,0,1,0,0,0|1,0,0]=3 64 B21R3.3965166 Cc1cccnc1C(C)Nc2nc3ccccc3s2 27a_100011536111_100000751744 [1,0,1,0,0,0|2,0,0]=4 65 B21R3.24493 O=C(Cc1ccccc1)C2CCCc3c2cccc3 1458a_100011198263_100015291786 [0,0,1,0,1,0|2,0,0]=4 66 B21R3.24493 O=C(Nc1ccccc1)C2CCCc3c2cccc3 11a_100000106764_100011198263 [0,0,1,0,1,0|1,0,0]=3 67 B21R3.24493 O=C(Nc1ccccc1)C2CCCc3c2cccc3 1626a_100000106764_100011198263 [0,0,1,0,1,0|1,0,0]=3 68 B21R3.24493 O=C(Nc1ccccc1)C2CCCc3c2cccc3 22a_100000106764_100011198263 [0,0,1,0,1,0|1,0,0]=3 69 B21R3.24493 O=C(Nc1ccccc1)C2CCCc3c2cccc3 527a_100000106764_100011198263 [0,0,1,0,1,0|1,0,0]=3 70 B21R3.24493 O=C(Nc1ccccc1)C2OCCc3c2cccc3 11a_100000106764_100000026751 [0,0,1,0,1,0|2,0,0]=4 71 B21R3.24493 O=C(Nc1ccccc1)C2OCCc3c2cccc3 1626a_100000106764_100000026751 [0,0,1,0,1,0|2,0,0]=4 72 B21R3.24493 O=C(Nc1ccccc1)C2OCCc3c2cccc3 22a_100000106764_100000026751 [0,0,1,0,1,0|2,0,0]=4 73 B21R3.24493 O=C(Nc1ccccc1)C2OCCc3c2cccc3 527a_100000106764_100000026751 [0,0,1,0,1,0|2,0,0]=4 74 B21R3.24497 O=C(CC1CCc2c1cccc2)Nc3ccccc3 11a_100000106764_100000756587 [0,0,1,0,1,0|2,0,0]=4 75 B21R3.24497 O=C(CC1CCc2c1cccc2)Nc3ccccc3 1626a_100000106764_100000756587 [0,0,1,0,1,0|2,0,0]=4 76 B21R3.24497 O=C(CC1CCc2c1cccc2)Nc3ccccc3 22a_100000106764_100000756587 [0,0,1,0,1,0|2,0,0]=4 77 B21R3.24497 O=C(CC1CCc2c1cccc2)Nc3ccccc3 527a_100000106764_100000756587 [0,0,1,0,1,0|2,0,0]=4 78 B21R3.24497 O=C(Nc1ccccc1)NC2COc3c2cccc3 2430a_100000106764_100000747519 [0,0,1,0,1,0|2,0,0]=4 79 B21R3.24497 O=C(Nc1ccccc1)N[C@H]2CCc3c2cccc3 2430a_100000106764_100016989578 [0,0,1,0,1,0|1,0,0]=3 80 B21R3.521193 CC(N[C@H]1CCCc2c1cccc2)c3ccccc3 269862a_100020654734_100000185851 [0,0,1,0,1,0|1,0,1]=4 81 B21R3.521193 CC(N[C@H]1CCCc2c1cccc2)c3ccccc3 34a_100020654734_100000211855 [0,0,1,0,1,0|1,0,1]=4 82 B21R3.521193 C[C@@H](NC1CCCc2c1cccc2)c3ccccc3 269862a_100000751104_100000210882 [0,0,1,0,1,0|1,0,1]=4 83 B21R3.521193 O=C(NC1CCCc2c1ccnc2)c3ccccc3 11a_100020634316_100000185807 [0,0,1,0,1,0|2,0,0]=4 84 B21R3.521193 O=C(NC1CCCc2c1ccnc2)c3ccccc3 1626a_100020634316_100000185807 [0,0,1,0,1,0|2,0,0]=4 85 B21R3.521193 O=C(NC1CCCc2c1ccnc2)c3ccccc3 240690a_100020634316_100000185807 [0,0,1,0,1,0|2,0,0]=4 86 B21R3.521193 O=C(NC1CCCc2c1ccnc2)c3ccccc3 527a_100020634316_100000185807 [0,0,1,0,1,0|2,0,0]=4 87 B21R3.521193 O=C(NC1CCCc2c1nccc2)c3ccccc3 11a_100011259139_100000185807 [0,0,1,0,1,0|2,0,0]=4 88 B21R3.521193 O=C(NC1CCCc2c1nccc2)c3ccccc3 1626a_100011259139_100000185807 [0,0,1,0,1,0|2,0,0]=4 89 B21R3.521193 O=C(NC1CCCc2c1nccc2)c3ccccc3 240690a_100011259139_100000185807 [0,0,1,0,1,0|2,0,0]=4 90 B21R3.521193 O=C(NC1CCCc2c1nccc2)c3ccccc3 527a_100011259139_100000185807 [0,0,1,0,1,0|2,0,0]=4 91 B21R3.521193 O=C(NC1CCOc2c1cccc2)c3ccccc3 11a_100015190321_100000185807 [0,0,1,0,1,0|2,0,0]=4 92 B21R3.521193 O=C(NC1CCOc2c1cccc2)c3ccccc3 1626a_100015190321_100000185807 [0,0,1,0,1,0|2,0,0]=4 93 B21R3.521193 O=C(NC1CCOc2c1cccc2)c3ccccc3 240690a_100015190321_100000185807 [0,0,1,0,1,0|2,0,0]=4 94 B21R3.521193 O=C(NC1CCOc2c1cccc2)c3ccccc3 527a_100015190321_100000185807 [0,0,1,0,1,0|2,0,0]=4 95 B21R3.521193 O=C(N[C@H]1CCCc2c1cccc2)c3ccccc3 11a_100020654734_100000185807 [0,0,1,0,1,0|1,0,0]=3 96 B21R3.521193 O=C(N[C@H]1CCCc2c1cccc2)c3ccccc3 1626a_100020654734_100000185807 [0,0,1,0,1,0|1,0,0]=3 97 B21R3.521193 O=C(N[C@H]1CCCc2c1cccc2)c3ccccc3 240690a_100020654734_100000185807 [0,0,1,0,1,0|1,0,0]=3 98 B21R3.521193 O=C(N[C@H]1CCCc2c1cccc2)c3ccccc3 527a_100020654734_100000185807 [0,0,1,0,1,0|1,0,0]=3 99 B21R3.525 Brc1ccccc1CNC2CCCc3c2cccc3 269862a_100000689332_100000210882 [0,0,1,0,1,0|1,0,1]=4 100 B21R3.525 Brc1ccccc1CN[C@H]2CCCc3c2cccc3 207a_100020654734_100000211189 [0,0,1,0,1,0|1,0,1]=4 101 B21R3.525 Brc1ccccc1CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100000211189 [0,0,1,0,1,0|1,0,1]=4 102 B21R3.525 Brc1ccccc1CN[C@H]2CCCc3c2cccc3 34a_100020654734_100000184730 [0,0,1,0,1,0|1,0,1]=4 103 B21R3.525 Cc1ccccc1CNC2CCCc3c2cccc3 269862a_100000174972_100000210882 [0,0,1,0,1,0|1,0,1]=4 104 B21R3.525 Cc1ccccc1CN[C@H]2CCCc3c2cccc3 207a_100020654734_100000211143 [0,0,1,0,1,0|1,0,1]=4 105 B21R3.525 Cc1ccccc1CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100000211143 [0,0,1,0,1,0|1,0,1]=4 106 B21R3.525 Cc1ccccc1CN[C@H]2CCCc3c2cccc3 34a_100020654734_100000211839 [0,0,1,0,1,0|1,0,1]=4 107 B21R3.525 Clc1ccccc1CNC2CCCc3c2cccc3 269862a_100000174879_100000210882 [0,0,1,0,1,0|1,0,1]=4 108 B21R3.525 Clc1ccccc1CN[C@H]2CCCc3c2cccc3 207a_100020654734_100000210073 [0,0,1,0,1,0|1,0,1]=4 109 B21R3.525 Clc1ccccc1CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100000210073 [0,0,1,0,1,0|1,0,1]=4 110 B21R3.525 Clc1ccccc1CN[C@H]2CCCc3c2cccc3 34a_100020654734_100000187162 [0,0,1,0,1,0|1,0,1]=4 111 B21R3.525 Fc1ccccc1CNC2CCCc3c2cccc3 269862a_100000174869_100000210882 [0,0,1,0,1,0|1,0,1]=4 112 B21R3.525 Fc1ccccc1CN[C@H]2CCCc3c2cccc3 207a_100020654734_100000210811 [0,0,1,0,1,0|1,0,1]=4 113 B21R3.525 Fc1ccccc1CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100000210811 [0,0,1,0,1,0|1,0,1]=4 114 B21R3.525 Fc1ccccc1CN[C@H]2CCCc3c2cccc3 34a_100020654734_100000211605 [0,0,1,0,1,0|1,0,1]=4 115 B21R3.525 Ic1ccccc1CNC2CCCc3c2cccc3 269862a_100015347259_100000210882 [0,0,1,0,1,0|1,0,1]=4 116 B21R3.525 Ic1ccccc1CN[C@H]2CCCc3c2cccc3 207a_100020654734_100000010305 [0,0,1,0,1,0|1,0,1]=4 117 B21R3.525 Ic1ccccc1CN[C@H]2CCCc3c2cccc3 270004a_100020654734_100000010305 [0,0,1,0,1,0|1,0,1]=4 118 B21R3.525 Ic1ccccc1CN[C@H]2CCCc3c2cccc3 34a_100020654734_100011215278 [0,0,1,0,1,0|1,0,1]=4 119 B21R3.525 Oc1ccccc1CNC2CCCc3c2cccc3 269862a_100000185550_100000210882 [0,0,1,0,1,0|1,0,1]=4 120 B21R3.25611 CCCC(Nc1nc2ccccc2[nH]1)c3cccs3 27a_200015187693_100009814255 [0,0,1,0,1,0|1,0,0]=3 121 B21R3.544527 CCCN(c1ccccc1)c2nc3ccccc3[nH]2 27a_200011218496_100009814255 [0,0,1,0,1,0|1,0,0]=3 122 B21R3.544527 CCCN(c1ccccc1)c2nc3ccccc3s2 27a_200011218496_100000751744 [0,0,1,0,1,0|2,0,0]=4 123 B21R3.544527 CCNC(c1ccccc1)c2nc3ccccc3[nH]2 2230a_103437231834_100000210202 [0,0,1,0,1,0|1,0,0]=3 124 B21R3.544527 CCNC(c1ccccc1)c2nc3ccccc3[nH]2 270004a_100015525214_100020600520 [0,0,1,0,1,0|1,0,0]=3 125 B21R3.901793 CCC(Nc1nc2ccccc2[nH]1)c3ccnn3C 27a_100011935024_100009814255 [0,0,1,0,1,0|2,0,0]=4 126 B21R3.2211533 CCN(c1nc2ccccc2[nH]1)c3ccccc3C 27a_100000211084_100009814255 [0,0,1,0,1,0|1,0,0]=3 127 B21R3.2211533 CCN(c1nc2ccccc2[nH]1)c3ccccc3F 27a_100000220365_100009814255 [0,0,1,0,1,0|2,0,0]=4 128 B21R3.2211533 CCN(c1nc2ccccc2[nH]1)c3ccccc3O 27a_103624766699_100009814255 [0,0,1,0,1,0|2,0,0]=4 129 B21R3.2211533 CCN(c1nc2ccccc2s1)c3ccccc3C 27a_100000211084_100000751744 [0,0,1,0,1,0|2,0,0]=4 130 B21R3.2429731 c1coc(c1)CSCCNc2nc3ccccc3[nH]2 27a_100000184675_100009814255 [0,0,1,0,1,0|2,0,0]=4 131 B21R3.2429969 C(=C/c1ccccc1)\CNc2nc3ccccc3[nH]2 27a_100020603302_100009814255 [0,0,1,0,1,0|0,0,2]=4 132 B21R3.2429969 C(=NNc1nc2ccccc2[nH]1)Cc3ccccc3 4a_100000188875_100000209964 [0,0,1,0,1,0|1,0,1]=4 133 B21R3.2429969 c1ccc(cc1)CCCNc2nc3ccccc3[nH]2 27a_100000211184_100009814255 [0,0,1,0,1,0|0,0,0]=2 134 B21R3.2429969 c1ccc(cc1)CCCNc2nc3ccccc3s2 27a_100000211184_100000751744 [0,0,1,0,1,0|1,0,0]=3 135 B21R3.2429969 c1ccc(cc1)CCCNc2nc3cccnc3s2 27a_100000211184_100010188088 [0,0,1,0,1,0|2,0,0]=4 136 B21R3.2429969 c1ccc(cc1)CCCSc2cc3ccccc3[nH]2 62a_100000211621_100010232065 [0,0,1,0,1,0|2,0,0]=4 137 B21R3.2429969 c1ccc(cc1)CCCSc2nc3ccccc3[nH]2 62a_100000211621_100009814255 [0,0,1,0,1,0|1,0,0]=3 138 B21R3.2429969 c1ccc(cc1)CCNCc2cc3ccccc3[nH]2 270004a_100000106460_100000051030 [0,0,1,0,1,0|2,0,0]=4 139 B21R3.2429969 c1ccc(cc1)CCNCc2nc3ccccc3[nH]2 207a_100000106460_100000185668 [0,0,1,0,1,0|1,0,0]=3 140 B21R3.2429969 c1ccc(cc1)CCNCc2nc3ccccc3[nH]2 2230a_100000106460_100000737899 [0,0,1,0,1,0|1,0,0]=3 141 B21R3.2429969 c1ccc(cc1)CCNCc2nc3ccccc3[nH]2 270004a_100000106460_100000185668 [0,0,1,0,1,0|1,0,0]=3 142 B21R3.2429969 c1ccc(cc1)CCNCc2nc3ccccc3o2 2230a_100000106460_100000195508 [0,0,1,0,1,0|2,0,0]=4 143 B21R3.2429969 c1ccc(cc1)CCNCc2nc3ccccc3o2 34a_100000106460_200012361514 [0,0,1,0,1,0|2,0,0]=4 144 B21R3.2429969 c1ccc(cc1)CCNCc2nc3ccccc3s2 2230a_100000106460_100000766747 [0,0,1,0,1,0|2,0,0]=4 145 B21R3.2429969 c1ccc(cc1)CCNCc2nc3ccccc3s2 270004a_100000106460_100011204187 [0,0,1,0,1,0|2,0,0]=4 146 B21R3.2429969 c1ccc(cc1)CCNCc2nc3ccccc3s2 34a_100000106460_100011217541 [0,0,1,0,1,0|2,0,0]=4 147 B21R3.2429969 c1ccc(cc1)CCNCc2nc3cccnc3[nH]2 2230a_100000106460_100011549802 [0,0,1,0,1,0|2,0,0]=4 148 B21R3.2429969 c1ccc(cc1)CCOCc2nc3ccccc3[nH]2 7a_100000210268_100000737899 [0,0,1,0,1,0|1,0,0]=3 149 B21R3.2429969 c1ccc(cc1)CCOCc2nc3ccccc3o2 34a_100000210268_200012361514 [0,0,1,0,1,0|2,0,0]=4 150 B21R3.2429969 c1ccc(cc1)CCOCc2nc3ccccc3o2 7a_100000210268_100000195508 [0,0,1,0,1,0|2,0,0]=4 151 B21R3.2429969 c1ccc(cc1)CCOCc2nc3ccccc3s2 34a_100000210268_100011217541 [0,0,1,0,1,0|2,0,0]=4 152 B21R3.2429969 c1ccc(cc1)CCOCc2nc3ccccc3s2 7a_100000210268_100011217541 [0,0,1,0,1,0|2,0,0]=4 153 B21R3.2429969 c1ccc(cc1)CCOCc2nc3cccnc3[nH]2 7a_100000210268_100011549802 [0,0,1,0,1,0|2,0,0]=4 154 B21R3.2429969 c1ccc(cc1)CCSCc2nc3ccccc3[nH]2 62a_100000765856_100000737899 [0,0,1,0,1,0|1,0,0]=3 155 B21R3.2429969 c1ccc(cc1)CCSCc2nc3ccccc3o2 62a_100000765856_100000195508 [0,0,1,0,1,0|2,0,0]=4 156 B21R3.2429969 c1ccc(cc1)CCSCc2nc3ccccc3s2 62a_100000765856_100000766747 [0,0,1,0,1,0|2,0,0]=4 157 B21R3.2429969 c1ccc(cc1)CCSCc2nc3ccccc3s2 62a_100011217541_100011218657 [0,0,1,0,1,0|2,0,0]=4 158 B21R3.2429969 c1ccc(cc1)CCSCc2nc3cccnc3[nH]2 62a_100011549802_100011218657 [0,0,1,0,1,0|2,0,0]=4 159 B21R3.2429969 c1ccc(cc1)CNCCc2nc3ccccc3[nH]2 270004a_100015184290_100015611070 [0,0,1,0,1,0|1,0,0]=3 160 B21R3.2429969 c1ccc(cc1)CNCCc2nc3ccccc3s2 207a_200000203819_100015611070 [0,0,1,0,1,0|2,0,0]=4 161 B21R3.2429969 c1ccc(cc1)CNCCc2nc3ccccc3s2 270004a_200000203819_100015611070 [0,0,1,0,1,0|2,0,0]=4 162 B21R3.2429969 c1ccc(cc1)COCCc2nc3ccccc3[nH]2 7a_100000210790_100015206048 [0,0,1,0,1,0|1,0,0]=3 163 B21R3.2429969 c1ccc(cc1)COCSc2nc3ccccc3[nH]2 62a_100000763385_100009814255 [0,0,1,0,1,0|2,0,0]=4 164 B21R3.2429969 c1ccc(cc1)CSCCc2nc3ccccc3[nH]2 62a_100000211182_100015206048 [0,0,1,0,1,0|1,0,0]=3 165 B21R3.2429969 c1ccc(cc1)CSCSc2nc3ccccc3[nH]2 62a_200011217039_100009814255 [0,0,1,0,1,0|2,0,0]=4 166 B21R3.2429969 c1ccc(cc1)OCCNc2nc3ccccc3[nH]2 27a_100000174943_100009814255 [0,0,1,0,1,0|1,0,0]=3 167 B21R3.2429969 c1ccc(cc1)OCCNc2nc3ccccc3s2 27a_100000174943_100000751744 [0,0,1,0,1,0|2,0,0]=4 168 B21R3.2429969 c1ccc(cc1)OCCSc2nc3ccccc3[nH]2 62a_100000184471_100009814255 [0,0,1,0,1,0|2,0,0]=4 169 B21R3.2429969 c1ccc(cc1)SCCNc2nc3ccccc3[nH]2 27a_100000189519_100009814255 [0,0,1,0,1,0|1,0,0]=3 170 B21R3.2429969 c1ccc(cc1)SCCNc2nc3ccccc3s2 27a_100000189519_100000751744 [0,0,1,0,1,0|2,0,0]=4 171 B21R3.2429969 c1ccc(cc1)SCCSc2nc3ccccc3[nH]2 62a_100000246102_100009814255 [0,0,1,0,1,0|2,0,0]=4 172 B21R3.2429969 c1ccc(cc1)SCSCc2nc3ccccc3[nH]2 62a_100011218342_100000737899 [0,0,1,0,1,0|2,0,0]=4 173 B21R3.2429969 c1ccc(nc1)CCCNc2nc3ccccc3[nH]2 27a_100000689020_100009814255 [0,0,1,0,1,0|1,0,0]=3 174 B21R3.2429969 c1ccc(nc1)CCCNc2nc3ccccc3s2 27a_100000689020_100000751744 [0,0,1,0,1,0|2,0,0]=4 175 B21R3.2429969 c1ccc(nc1)CCNCc2nc3ccccc3[nH]2 207a_100000211156_100000185668 [0,0,1,0,1,0|2,0,0]=4 176 B21R3.2429969 c1ccc(nc1)CCNCc2nc3ccccc3[nH]2 270004a_100000211156_100000185668 [0,0,1,0,1,0|2,0,0]=4 177 B21R3.2429969 c1ccc(nc1)CCSCc2nc3ccccc3[nH]2 62a_100015183660_100000737899 [0,0,1,0,1,0|2,0,0]=4 178 B21R3.2429969 c1ccc(nc1)CNCCc2nc3ccccc3[nH]2 270004a_100015184290_100000209966 [0,0,1,0,1,0|2,0,0]=4 179 B21R3.2429969 c1ccc(nc1)CSCCc2nc3ccccc3[nH]2 62a_100000721315_100015206048 [0,0,1,0,1,0|2,0,0]=4 180 B21R3.2429969 c1ccc(nc1)OCCNc2nc3ccccc3[nH]2 27a_106741647558_100009814255 [0,0,1,0,1,0|2,0,0]=4 181 B21R3.2429969 c1ccc2[nH]c(nc2c1)CCSCc3ccncc3 62a_100015193705_100015206048 [0,0,1,0,1,0|2,0,0]=4 182 B21R3.2429969 c1ccc2[nH]c(nc2c1)CNCCc3ccncc3 207a_100000742849_100000185668 [0,0,1,0,1,0|2,0,0]=4 183 B21R3.2429969 c1ccc2[nH]c(nc2c1)CNCCc3ccncc3 270004a_100000742849_100000185668 [0,0,1,0,1,0|2,0,0]=4 184 B21R3.2429969 c1ccc2[nH]c(nc2c1)CSCCc3ccncc3 62a_100000723409_100000737899 [0,0,1,0,1,0|2,0,0]=4 185 B21R3.2429969 c1ccc2[nH]c(nc2c1)NCCCc3ccncc3 27a_100011275580_100009814255 [0,0,1,0,1,0|1,0,0]=3 186 B21R3.2429969 c1ccc2[nH]c(nc2c1)NCCOc3ccncc3 27a_100025717301_100009814255 [0,0,1,0,1,0|2,0,0]=4 187 B21R3.2429969 c1ccc2sc(nc2c1)NCCCc3ccncc3 27a_100011275580_100000751744 [0,0,1,0,1,0|2,0,0]=4 188 B21R3.2429969 c1cncc(c1)CCCNc2nc3ccccc3[nH]2 27a_100011532358_100009814255 [0,0,1,0,1,0|1,0,0]=3 189 B21R3.2429969 c1cncc(c1)CCCNc2nc3ccccc3s2 27a_100011532358_100000751744 [0,0,1,0,1,0|2,0,0]=4 190 B21R3.2429969 c1cncc(c1)CCNCc2nc3ccccc3[nH]2 207a_100000736294_100000185668 [0,0,1,0,1,0|2,0,0]=4 191 B21R3.2429969 c1cncc(c1)CCNCc2nc3ccccc3[nH]2 2230a_100000736294_100000737899 [0,0,1,0,1,0|2,0,0]=4 192 B21R3.2429969 c1cncc(c1)CCNCc2nc3ccccc3[nH]2 270004a_100000736294_100000185668 [0,0,1,0,1,0|2,0,0]=4 193 B21R3.2429969 c1cncc(c1)CCSCc2nc3ccccc3[nH]2 62a_200011713674_100000737899 [0,0,1,0,1,0|2,0,0]=4 194 B21R3.2429969 c1cncc(c1)CNCCc2nc3ccccc3[nH]2 270004a_100015184290_100000209961 [0,0,1,0,1,0|2,0,0]=4 195 B21R3.2429969 c1cncc(c1)CSCCc2nc3ccccc3[nH]2 62a_100000741622_100015206048 [0,0,1,0,1,0|2,0,0]=4 196 B21R3.2429969 c1cncc(c1)OCCNc2nc3ccccc3[nH]2 27a_100000754688_100009814255 [0,0,1,0,1,0|2,0,0]=4 197 B21R4.922922 c1ccc2c(c1)CC2Sc3cc4ccccc4[nH]3 62a_100009813401_100010232065 [0,0,0,0,2,0|2,0,0]=4 198 B21R4.922922 c1ccc2c(c1)CC2Sc3nc4ccccc4[nH]3 62a_100009813401_100009814255 [0,0,0,0,2,0|1,0,0]=3 199 B21R4.922922 c1ccc2c(c1)CC2Sc3nc4ccccc4s3 62a_100009813401_100000751744 [0,0,0,0,2,0|2,0,0]=4