0 B14R2.22 Cc1cccc(c1)c2cc(on2)N TS45793 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.22 Cc1cccc(c1)c2csc(n2)N TS17144 [0,0,0,0,0,0|1,1,2]=4 2 B14R2.22 Cc1nc(no1)c2cccc(c2)N TS45950 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.22 c1cc(cc(c1)Br)c2csc(n2)N TS28749 [0,0,0,0,0,0|0,2,2]=4 4 B14R2.22 c1cc(cc(c1)Cl)c2csc(n2)N TS21043 [0,0,0,0,0,0|0,2,2]=4 5 B14R2.22 c1cc(cc(c1)F)c2cc([nH]n2)N TS14008 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.22 c1cc(cc(c1)F)c2csc(n2)Br TS29157 [0,0,0,0,0,0|1,1,2]=4 7 B14R2.22 c1cc(cc(c1)F)c2csc(n2)N TS17875 [0,0,0,0,0,0|0,1,2]=3 8 B14R2.22 c1cc(cc(c1)N)c2csc(n2)N TS51338 [0,0,0,0,0,0|1,1,2]=4 9 B13R2.10 Cc1nc(no1)c2ccccc2 TS11244 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 TS09765 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 TS42185 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.10 c1ccc(cc1)C2CCC(=O)O2 TS42441 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.10 c1ccc(cc1)C2CN=C(O2)N TS11560 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.10 c1ccc(cc1)C2CNC(=O)O2 TS11695 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.10 c1ccc(cc1)C2COC(=O)N2 TS42555 [1,0,0,0,0,0|1,0,1]=3 16 B13R2.10 c1ccc(cc1)N2CCC(=N2)N TS42328 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.10 c1ccc(cc1)[C@@H]2COC(=O)N2 TS00304 [1,0,0,0,0,0|1,0,1]=3 18 B13R2.10 c1ccc(cc1)[C@@H]2COC(=S)N2 TS47770 [1,0,0,0,0,0|1,0,1]=3 19 B13R2.10 c1ccc(cc1)[C@H]2COC(=O)N2 TS32849 [1,0,0,0,0,0|1,0,1]=3 20 B13R2.10 c1ccc(cc1)[C@H]2COC(=S)N2 TS60184 [1,0,0,0,0,0|1,0,1]=3 21 B13R2.10 c1ccc(cc1)c2[nH]nc(n2)N TS09151 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.10 c1ccc(cc1)c2cc(on2)N TS42156 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.10 c1ccc(cc1)c2nc(no2)N TS42290 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.10 c1ccc(cc1)c2nc(ns2)N TS01176 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.10 c1ccc(cc1)c2nc(sn2)N TS02043 [1,0,0,0,0,0|1,1,1]=4 26 B13R2.10 c1ccc(cc1)n2ccc(n2)N TS42054 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.13 c1cc(cc(c1)F)C2CCCN2 TS47054 [1,0,0,0,0,0|1,0,2]=4 28 B13R2.13 c1cc(cc(c1)F)C2CCNC2 TS12047 [1,0,0,0,0,0|2,0,1]=4 29 B15R2.14 CNc1coc(n1)c2cccc(c2)F TS17448 [0,1,0,0,0,0|2,0,1]=4 30 B15R2.299 c1cc(c(cc1c2csc(n2)N)F)F TS44155 [0,1,0,0,0,0|0,1,2]=4 31 B13R1.15 COC(=O)CCc1cccc(c1)O TS14613 [0,0,1,0,0,0|3,0,0]=4 32 B13R1.147 c1cc(cc(c1)F)C(CC(=O)O)N TS48418 [0,0,1,0,0,0|3,0,0]=4 33 B13R1.147 c1cc(cc(c1)F)[C@@H](CC(=O)O)N TS15117 [0,0,1,0,0,0|3,0,0]=4 34 B13R1.147 c1cc(cc(c1)F)[C@H](CC(=O)O)N TS48410 [0,0,1,0,0,0|3,0,0]=4 35 B13R2.151 c1cc(cc(c1)Br)C2CC(=O)C2 TS23953 [0,0,0,0,1,0|2,1,0]=4 36 B15R2.28 c1cc(cc(c1)F)C2CCC(=O)CC2 TS17481 [0,0,0,0,0,1|3,0,0]=4 37 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.226 c1cc(cc(c1)F)CCC(=O)O TS44844 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.107 CC(CC(=O)O)c1ccccc1 TS42755 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 TS42738 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.107 C[C@H](CC(=O)O)c1ccccc1 TS42736 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.252 CC(=O)OCCc1ccccc1 TS11854 [1,0,1,0,0,0|2,0,0]=4 43 B14R1.135 COC(=O)[C@@H](Cc1cccc(c1)F)N TS25450 [0,1,1,0,0,0|2,0,0]=4 44 B14R2.598 C[C@@H]1[C@@H](OC(=N1)N)c2ccccc2 TS46137 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.50 COC(=O)Cc1cccc(c1)Cl TS32710 [0,0,1,0,1,0|1,1,0]=4 46 B12R1.50 COC(=O)Cc1cccc(c1)F TS12507 [0,0,1,0,1,0|1,0,0]=3 47 B12R1.50 COC(=O)Cc1cccc(c1)N TS65476 [0,0,1,0,1,0|2,0,0]=4 48 B12R1.50 COC(=O)Cc1cccc(c1)O TS60013 [0,0,1,0,1,0|2,0,0]=4 49 B12R1.50 Cc1cccc(c1)CC(=O)OC TS42759 [0,0,1,0,1,0|2,0,0]=4 50 B12R1.225 CC(c1cccc(c1)Br)C(=O)O TS47050 [0,0,1,0,1,0|1,1,0]=4 51 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O TS48658 [0,0,1,0,1,0|1,1,0]=4 52 B12R1.225 c1cc(cc(c1)F)C(C(=O)O)N TS12657 [0,0,1,0,1,0|2,0,0]=4 53 B12R1.225 c1cc(cc(c1)F)[C@@H](C(=O)O)N TS12662 [0,0,1,0,1,0|2,0,0]=4 54 B12R2.22 c1ccc(cc1)C2CC(=O)C2 TS89513 [1,0,0,0,1,0|2,0,0]=4 55 B12R2.22 c1ccc(cc1)C2CC(=O)N2 TS40527 [1,0,0,0,1,0|1,0,1]=4 56 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N TS92833 [1,0,0,0,1,0|1,0,1]=4 57 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS87812 [1,0,0,0,1,0|1,0,1]=4 58 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS92597 [1,0,0,0,1,0|1,0,1]=4 59 B12R2.2313 c1cc(cc(c1)Br)C2COC2 TS91734 [1,0,0,0,1,0|0,1,1]=4 60 B14R2.19 c1ccc(cc1)C[C@@H]2COC(=S)N2 TS51691 [1,0,0,0,0,1|1,0,1]=4 61 B14R2.19 c1ccc(cc1)C[C@H]2COC(=O)N2 TS94228 [1,0,0,0,0,1|1,0,1]=4 62 B14R2.19 c1ccc(cc1)C[C@H]2COC(=S)N2 TS51695 [1,0,0,0,0,1|1,0,1]=4 63 B14R2.68 c1ccc(cc1)C2=NN=C(SC2)N TS51335 [1,0,0,0,0,1|0,1,1]=4 64 B14R2.68 c1ccc(cc1)[C@@H]2COC(=O)CN2 TS14025 [1,0,0,0,0,1|1,0,1]=4 65 B14R2.68 c1ccc(cc1)[C@H]2COC(=O)CN2 TS14026 [1,0,0,0,0,1|1,0,1]=4