0 B13R2.57 c1cc2c(cc1CN)nccn2 A2Z00049543 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.57 c1cc2cc(ccc2nc1)C=O A2Z00097499 [1,0,0,0,0,0|2,0,1]=4 2 B13R2.57 c1ccc2c(c1)ccc(n2)C=O A2Z00097491 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.57 c1ccc2c(c1)ccc(n2)NN A2Z00070574 [1,0,0,0,0,0|3,0,0]=4 4 B15R2.352 c1ccc2cc(ccc2c1)OCC#N A2Z00035350 [0,1,0,0,0,0|0,0,1]=2 5 B15R2.888 c1ccc2c(c1)cc(c(=O)[nH]2)CCN A2Z00046467 [0,1,0,0,0,0|3,0,0]=4 6 B15R2.1290 CCOc1ccc2c(c1)c(ccn2)O A2Z00057853 [0,1,0,0,0,0|1,0,0]=2 7 B15R2.1601 COC(=O)c1ccc2cnccc2c1 A2Z00097670 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.42 CCOC(=O)\C=C\c1ccncc1 A2Z00095018 [0,0,1,0,0,0|2,0,0]=3 9 B15R3.4266 c1ccc2c(c1)cc3c(n2)NCC3 A2Z00041407 [0,0,0,1,0,0|2,0,0]=3 10 B15R3.4266 c1ccc2c(c1)cc3c(n2)OCC3 A2Z00047009 [0,0,0,1,0,0|1,0,0]=2 11 B13R2.1 c1ccc2c(c1)c(co2)CCN A2Z00095956 [0,0,0,0,1,0|3,0,0]=4 12 B13R2.26 CCSc1[nH]c2ccccc2n1 A2Z00054393 [0,0,0,0,1,0|2,1,0]=4 13 B13R2.26 c1ccc2c(c1)cc(o2)CCN A2Z00095920 [0,0,0,0,1,0|3,0,0]=4 14 B13R2.449 c1cc(cc2c1cc[nH]2)CCN A2Z00050322 [0,0,0,0,1,0|3,0,0]=4 15 B13R2.449 c1cc2c(cc[nH]2)cc1CCN A2Z00096204 [0,0,0,0,1,0|3,0,0]=4 16 B12R1.270 COc1ccc(c(c1)CC=C)O A2Z00074122 [1,0,1,0,0,0|1,0,1]=4 17 B12R2.24 Cc1ccc2c(c1)nccn2 A2Z00096306 [2,0,0,0,0,0|2,0,0]=4 18 B12R2.24 c1cc2cc(ccc2nc1)Br A2Z00062458 [2,0,0,0,0,0|2,0,0]=4 19 B12R2.24 c1cc2cc(ccc2nc1)Br A2Z00074308 [2,0,0,0,0,0|2,0,0]=4 20 B12R2.24 c1cc2cc(ccc2nc1)O A2Z00094828 [2,0,0,0,0,0|1,0,0]=3 21 B14R1.502 CCOC(=O)\C=C\c1ccc(nc1)N A2Z00097667 [0,1,1,0,0,0|2,0,0]=4 22 B14R1.142 CCOc1ccc(cc1)\C=C\C(=O)O A2Z00078823 [0,1,1,0,0,0|1,0,0]=3 23 B14R2.142 CCc1ccc2c(c1)c(ccn2)O A2Z00057861 [1,1,0,0,0,0|1,0,0]=3 24 B14R2.781 CC(=O)c1ccc2ccccc2c1 A2Z00093569 [1,1,0,0,0,0|0,0,1]=3 25 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O A2Z00097506 [1,1,0,0,0,0|1,0,1]=4 26 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)CN A2Z00046462 [1,1,0,0,0,0|2,0,0]=4 27 B14R2.1801 COc1ccc2c(c1)cc[nH]c2=O A2Z00069903 [1,1,0,0,0,0|1,0,0]=3 28 B14R2.2 CC(=O)Oc1c[nH]c2c1cccc2 A2Z00094534 [0,1,0,0,1,0|1,0,1]=4 29 B14R2.6400 CCOc1ccc2c(c1)sc(n2)N A2Z00070570 [0,1,0,0,1,0|2,0,0]=4 30 B16R2.477 c1ccc2cc(ccc2c1)OCC(=S)N A2Z00083371 [0,2,0,0,0,0|0,0,1]=3 31 B16R2.767 CCOC(=O)c1cc2ccccc2nn1 A2Z00095474 [0,2,0,0,0,0|2,0,0]=4 32 B16R2.107862 CCOc1ccc2c(c1)c(cc(n2)C)C A2Z00062341 [0,2,0,0,0,0|1,0,0]=3 33 B16R2.107862 CCOc1ccc2c(c1)c(cc(n2)C)Cl A2Z00097736 [0,2,0,0,0,0|1,0,0]=3 34 B16R2.22859 CC(C)Oc1ccc2c(c1)cc[nH]c2=O A2Z00069904 [0,2,0,0,0,0|1,0,0]=3 35 B16R2.28256 CCOc1ccc2ccccc2c1C=O A2Z00036492 [0,2,0,0,0,0|0,0,0]=2 36 B16R3.2754 c1ccc2c(c1)c(c3c(n2)CCC3)O A2Z00057280 [0,1,0,1,0,0|2,0,0]=4 37 B16R3.10840 Cc1ccc2c(c1)cc3c(n2)NCC3 A2Z00041408 [0,1,0,1,0,0|2,0,0]=4 38 B16R3.10840 Cc1ccc2cc3c(nc2c1)NCC3 A2Z00041409 [0,1,0,1,0,0|2,0,0]=4 39 B16R3.10840 c1cc(cc2c1cc3c(n2)NCC3)F A2Z00049583 [0,1,0,1,0,0|2,0,0]=4 40 B16R3.27813 Cc1cccc2c1nc3c(c2)CCN3 A2Z00041410 [0,1,0,1,0,0|2,0,0]=4 41 B12R1.308 CCOC(=O)c1ccccc1C A2Z00098049 [0,0,1,0,1,0|1,0,1]=4 42 B12R1.308 CCOC(=O)c1ccccc1N A2Z00093475 [0,0,1,0,1,0|2,0,0]=4 43 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN A2Z00044917 [1,0,0,0,1,0|2,0,0]=4 44 B12R2.32 c1ccc2c(c1)cc(o2)CCl A2Z00096052 [1,0,0,0,1,0|2,0,0]=4 45 B12R2.32 c1ccc2c(c1)cc(o2)CN A2Z00096017 [1,0,0,0,1,0|2,0,0]=4 46 B12R2.32 c1ccc2c(c1)cc(o2)CO A2Z00096099 [1,0,0,0,1,0|2,0,0]=4 47 B12R2.44 COc1ccc2c(c1)[nH]cn2 A2Z00097328 [1,0,0,0,1,0|2,0,0]=4 48 B12R2.44 COc1ccc2c(c1)cc[nH]2 A2Z00047975 [1,0,0,0,1,0|1,0,0]=3 49 B12R2.44 COc1ccc2c(c1)nc[nH]2 A2Z00062449 [1,0,0,0,1,0|2,0,0]=4 50 B12R2.44 COc1ccc2c(c1)ncs2 A2Z00062352 [1,0,0,0,1,0|2,0,0]=4 51 B12R2.44 COc1ccc2c(n1)cc[nH]2 A2Z00096359 [1,0,0,0,1,0|2,0,0]=4