0 B13R2.10 Cc1csc(n1)c2ccccc2 CSC000169097 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.10 Cc1nc(no1)c2ccccc2 CSC000015794 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.10 Cc1nc(no1)c2ccccn2 CSC000019907 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.10 Cc1nc(no1)c2ccncc2 CSC000019906 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.10 Cc1noc(n1)c2ccccc2 CSC000073341 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.2 c1c[nH]c(n1)c2ccccc2 CSC000211779 [1,0,0,0,0,0|2,0,1]=4 6 B12R2.2 c1csc(n1)c2ccccc2 CSC011996109 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.2 c1nc(n[nH]1)c2ccccc2 CSC000757066 [1,0,0,0,0,0|2,0,1]=4 8 B14R2.20 Cc1nc(no1)c2ccc(cc2)Br CSC000756730 [0,1,0,0,0,0|2,0,1]=4 9 B14R2.20 Cc1nc(no1)c2ccc(cc2)C CSC000014549 [0,1,0,0,0,0|2,0,1]=4 10 B14R2.20 Cc1nc(no1)c2ccc(cc2)F CSC000071048 [0,1,0,0,0,0|2,0,1]=4 11 B14R2.22 Cc1nc(no1)c2cccc(c2)Br CSC000756728 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.22 Cc1nc(no1)c2cccc(c2)N CSC000742751 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.256 Cc1nc(no1)c2ccccc2Br CSC000756727 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.3 CCN[C@H](CO)c1ccccc1 CSC012017371 [0,0,1,0,0,0|1,0,2]=4 15 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [0,0,1,0,0,0|3,0,0]=4 17 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [0,0,1,0,0,0|3,0,0]=4 18 B12R1.27 CNC(=O)NCc1ccccc1 CSC000222791 [0,0,1,0,0,0|2,0,1]=4 19 B12R1.27 COC(=O)C#Cc1ccccc1 CSC011216089 [0,0,1,0,0,0|2,0,1]=4 20 B12R1.27 COC(=O)COc1ccccc1 CSC000148705 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.27 COC(=O)CSc1ccccc1 CSC000151200 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.27 COC(=O)NCc1ccccc1 CSC000235978 [0,0,1,0,0,0|1,0,1]=3 23 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [0,0,1,0,0,0|1,0,2]=4 24 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [0,0,1,0,0,0|2,0,1]=4 25 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [0,0,1,0,0,0|1,0,2]=4 26 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [0,0,1,0,0,0|1,0,2]=4 27 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [0,0,1,0,0,0|2,0,0]=3 29 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [0,0,1,0,0,0|2,0,0]=3 30 B12R1.252 NC(=O)CSCc1ccccc1 CSC000149389 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.252 NC(=O)NCCc1ccccc1 CSC000238938 [0,0,1,0,0,0|2,0,0]=3 32 B14R2.68 Nc1ccc(cn1)c2ccccc2 CSC000743117 [0,0,0,0,0,1|1,0,2]=4 33 B14R2.68 O=C1CCC(=NN1)c2ccccc2 CSC000005677 [0,0,0,0,0,1|2,0,1]=4 34 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [1,0,1,0,0,0|2,0,0]=4 35 B13R1.713 CC(=O)N[C@@H](CO)c1ccccc1 CSC011995718 [0,1,1,0,0,0|1,0,1]=4 36 B13R1.11 COC(=O)CC(C)c1ccccc1 CSC000000072 [0,1,1,0,0,0|2,0,0]=4 37 B13R1.11 COC(=O)NC(C)c1ccccc1 CSC000235971 [0,1,1,0,0,0|1,0,1]=4 38 B13R1.14 COC(=O)CCc1ccc(cc1)Br CSC012357364 [0,1,1,0,0,0|2,0,0]=4 39 B13R1.14 COC(=O)CCc1ccc(cc1)Cl CSC000240969 [0,1,1,0,0,0|2,0,0]=4 40 B13R1.14 COC(=O)CCc1ccc(cc1)F CSC000198246 [0,1,1,0,0,0|2,0,0]=4 41 B13R1.14 COC(=O)NCc1ccc(cc1)Br CSC011472957 [0,1,1,0,0,0|1,0,1]=4 42 B13R1.14 COC(=O)NCc1ccc(cc1)Cl CSC000235972 [0,1,1,0,0,0|1,0,1]=4 43 B13R1.15 COC(=O)CCc1cccc(c1)Br CSC000151591 [0,1,1,0,0,0|2,0,0]=4 44 B13R1.15 COC(=O)CCc1cccc(c1)Cl CSC000024355 [0,1,1,0,0,0|2,0,0]=4 45 B13R1.15 COC(=O)NCc1cccc(c1)Br CSC011256846 [0,1,1,0,0,0|1,0,1]=4 46 B13R1.15 COC(=O)NCc1cccc(c1)Cl CSC000236059 [0,1,1,0,0,0|1,0,1]=4 47 B13R1.42 CCOC(=O)CCc1ccccc1 CSC000170145 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.135 COC(=O)[C@@H](O)Cc1ccccc1 CSC009816323 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.528 COC(=O)CCc1ccccc1Br CSC009815308 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.528 COC(=O)CCc1ccccc1Cl CSC000151590 [0,1,1,0,0,0|2,0,0]=4 51 B13R1.528 COC(=O)CCc1ccccc1F CSC000016591 [0,1,1,0,0,0|2,0,0]=4 52 B13R1.528 COC(=O)NCc1ccccc1Cl CSC000236058 [0,1,1,0,0,0|1,0,1]=4 53 B13R1.132 CC(NC(=O)N)c1ccc(cc1)Br CSC000238882 [0,1,1,0,0,0|0,0,2]=4 54 B13R1.149 CC(=O)OCCc1cccc(c1)C CSC009866697 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.513 CC(=O)OCCc1ccc(cc1)C CSC009829655 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.513 CC(=O)OCCc1ccc(cc1)Cl CSC009851009 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.513 CC(=O)OCCc1ccc(cc1)F CSC000071711 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.513 NC(=O)NCCc1ccc(cc1)Cl CSC000238947 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.718 CCC(=O)OCCc1ccccc1 CSC000024285 [0,1,1,0,0,0|2,0,0]=4 60 B13R1.718 CNC(=O)NCCc1ccccc1 CSC000235216 [0,1,1,0,0,0|2,0,0]=4 61 B15R2.14 NCc1nc(no1)c2cccc(c2)Br CSC000723207 [0,2,0,0,0,0|1,0,1]=4 62 B15R2.66 CCNc1nc(no1)c2ccccc2 CSC011708943 [0,2,0,0,0,0|1,0,1]=4 63 B15R2.275 Cc1ccc(cc1)c2noc(n2)CN CSC000213969 [0,2,0,0,0,0|1,0,1]=4 64 B15R2.275 NCc1nc(no1)c2ccc(cc2)F CSC000213953 [0,2,0,0,0,0|1,0,1]=4 65 B15R2.2243 NCc1nc(no1)c2ccccc2Cl CSC000199345 [0,2,0,0,0,0|1,0,1]=4 66 B13R2.72 NC(=O)N1CCc2c1cccc2 CSC000238899 [0,0,1,1,0,0|2,0,0]=4 67 B11R1.40 COC(=O)Oc1ccccc1 CSC000020726 [0,0,1,0,1,0|2,0,0]=4 68 B11R1.36 NC(=O)C(O)c1ccccc1 CSC011200849 [0,0,1,0,1,0|1,0,1]=4 69 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 CSC009816934 [0,0,1,0,1,0|1,0,1]=4 70 B13R1.337 CC(=O)OCCCc1ccccc1 CSC000006332 [0,0,1,0,0,1|2,0,0]=4 71 B13R1.337 CC(=O)OCCOc1ccccc1 CSC000000575 [0,0,1,0,0,1|2,0,0]=4 72 B13R1.337 CC(=O)OCCSc1ccccc1 CSC009876666 [0,0,1,0,0,1|2,0,0]=4 73 B13R1.337 NC(=O)NCCOc1ccccc1 CSC000189186 [0,0,1,0,0,1|2,0,0]=4