0 B14R2.112 CCOc1ccc2ncccc2c1 CSC000055991 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.112 CCSc1ccc2ccccc2c1 CSC000000182 [0,0,0,0,0,0|0,1,0]=1 2 B14R2.112 CSCc1ccc2ccccc2c1 CSC000053063 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.57 COc1ccc2nccnc2c1 CSC000041819 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.57 COc1cnc2ccccc2c1 CSC012187421 [1,0,0,0,0,0|1,0,0]=2 5 B13R2.57 CSc1ccc2ccccc2c1 CSC000000181 [1,0,0,0,0,0|0,1,0]=2 6 B13R2.57 CSc1ccc2ccccc2n1 CSC015436161 [1,0,0,0,0,0|1,1,0]=3 7 B15R2.352 CCCOc1ccc2ccccc2c1 CSC000005839 [0,1,0,0,0,0|0,0,0]=1 8 B15R2.352 CCCSc1ccc2ccccc2c1 CSC048195454 [0,1,0,0,0,0|0,1,0]=2 9 B15R2.352 N#CCSc1ccc2ccccc2c1 CSC000148427 [0,1,0,0,0,0|0,1,1]=3 10 B15R2.352 OCCOc1ccc2ccccc2c1 CSC011219602 [0,1,0,0,0,0|0,0,0]=1 11 B15R2.352 OCCSc1ccc2ccccc2c1 CSC000193269 [0,1,0,0,0,0|0,1,0]=2 12 B15R2.886 CCCc1nc2ccccc2c(=O)[nH]1 CSC000052127 [0,1,0,0,0,0|3,0,0]=4 13 B15R2.1282 CCOc1ccc2ccc(=O)oc2c1 CSC000005965 [0,1,0,0,0,0|1,0,0]=2 14 B15R2.1601 COC(=O)c1ccc2ccccc2n1 CSC000150341 [0,1,0,0,0,0|3,0,0]=4 15 B15R2.1601 COC(=O)c1ccc2ncccc2c1 CSC011217999 [0,1,0,0,0,0|3,0,0]=4 16 B15R2.1601 NNC(=O)c1ccc2ccccc2c1 CSC000189791 [0,1,0,0,0,0|3,0,0]=4 17 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 CSC000154015 [0,1,0,0,0,0|1,0,1]=3 18 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 CSC000185984 [0,1,0,0,0,0|2,0,1]=4 19 B15R2.1668 CC(=O)Nc1cnc2ccccc2c1 CSC011195435 [0,1,0,0,0,0|2,0,1]=4 20 B15R2.1668 CC(=O)Nc1cnc2ccccc2c1 CSC011195435 [0,1,0,0,0,0|2,0,1]=4 21 B15R2.1668 CC(=O)Oc1ccc2ccccc2c1 CSC000002291 [0,1,0,0,0,0|0,0,1]=2 22 B15R2.1668 CC(=O)Oc1ccc2nccnc2c1 CSC015473003 [0,1,0,0,0,0|2,0,1]=4 23 B15R2.1668 CC(C)Sc1ccc2ccccc2c1 CSC048362076 [0,1,0,0,0,0|0,1,0]=2 24 B15R2.1668 NC(=O)Cc1ccc2ccccc2c1 CSC000162105 [0,1,0,0,0,0|2,0,1]=4 25 B15R2.1668 NC(=O)Nc1ccc2ccccc2c1 CSC000239035 [0,1,0,0,0,0|2,0,1]=4 26 B15R2.2220 CCCn1cnc2ccccc2c1=O CSC000021511 [0,1,0,0,0,0|3,0,0]=4 27 B15R2.10252 CCOc1ccc2cc(ccc2c1)Br CSC000170440 [0,1,0,0,0,0|0,0,0]=1 28 B13R1.42 CCOC(=O)C#Cc1ccccc1 CSC011216521 [0,0,1,0,0,0|1,0,2]=4 29 B13R1.42 CCOC(=O)CCc1ccccc1 CSC000170145 [0,0,1,0,0,0|1,0,2]=4 30 B13R1.42 CCOC(=O)CNc1ccccc1 CSC000219562 [0,0,1,0,0,0|2,0,1]=4 31 B13R1.42 CCOC(=O)COc1ccccc1 CSC000170178 [0,0,1,0,0,0|2,0,1]=4 32 B13R1.42 CCOC(=O)CSc1ccccc1 CSC000170991 [0,0,1,0,0,0|2,0,1]=4 33 B13R1.470 CCOC(=O)Cc1ccccc1Br CSC011218996 [0,0,1,0,0,0|2,0,1]=4 34 B13R1.470 CCOC(=O)Cc1ccccc1C CSC011212630 [0,0,1,0,0,0|1,0,2]=4 35 B13R1.470 CCOC(=O)Cc1ccccc1Cl CSC000171482 [0,0,1,0,0,0|2,0,1]=4 36 B13R2.26 CCSc1nc2ccccc2o1 CSC015611995 [0,0,0,0,1,0|2,1,0]=4 37 B13R2.449 CCOc1ccc2[nH]ccc2c1 CSC012017212 [0,0,0,0,1,0|1,0,0]=2 38 B14R1.29 CCOC(=O)C=C(C)c1ccccc1 CSC046261641 [0,1,1,0,0,0|1,0,0]=3 39 B14R1.156 O=C(OCC#N)C=Cc1ccccc1 CSC043593763 [0,1,1,0,0,0|1,0,1]=4 40 B14R2.92 COc1ccc2ccccc2c1Br CSC000173347 [1,1,0,0,0,0|0,0,0]=2 41 B14R2.781 CS(=O)c1ccc2ccccc2c1 CSC000064364 [1,1,0,0,0,0|0,1,0]=3 42 B14R2.1019 CCc1nc2ccccc2c(=O)[nH]1 CSC011386804 [1,1,0,0,0,0|2,0,0]=4 43 B14R2.2332 COc1ccc2cc(ccc2c1)Br CSC000170439 [1,1,0,0,0,0|0,0,0]=2 44 B14R2.6412 CCOc1ccc2c(c1)OCC2=O CSC011309150 [0,1,0,0,1,0|1,0,1]=4 45 B16R2.477 CC(=O)OCc1ccc2ccccc2n1 CSC000018421 [0,2,0,0,0,0|1,0,1]=4 46 B16R2.477 NC(=O)COc1ccc2ccccc2c1 CSC000150859 [0,2,0,0,0,0|0,0,1]=3 47 B16R2.477 NC(=O)CSc1ccc2ccccc2c1 CSC000148426 [0,2,0,0,0,0|0,1,1]=4 48 B16R2.767 CCOC(=O)c1ccc2ccccc2c1 CSC000171408 [0,2,0,0,0,0|0,0,0]=2 49 B16R2.767 CCOC(=O)c1ccc2ccccc2n1 CSC000169932 [0,2,0,0,0,0|1,0,0]=3 50 B16R2.767 CCOC(=O)c1ccc2ncccc2c1 CSC011581696 [0,2,0,0,0,0|1,0,0]=3 51 B16R2.767 CCOC(=O)c1ccc2nccnc2c1 CSC000172577 [0,2,0,0,0,0|2,0,0]=4 52 B16R2.1056 CCNCc1cc2ccccc2nc1O CSC011234414 [0,2,0,0,0,0|2,0,0]=4 53 B16R2.1285 C=CCOc1ccc2ccc(=O)oc2c1 CSC000006484 [0,2,0,0,0,0|1,0,1]=4 54 B16R2.2441 CCCCOc1ccc2ccccc2c1 CSC000014088 [0,2,0,0,0,0|0,0,0]=2 55 B16R2.2441 OCCCSc1ccc2ccccc2c1 CSC000148425 [0,2,0,0,0,0|0,1,0]=3 56 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 CSC000154016 [0,2,0,0,0,0|1,0,0]=3 57 B16R2.5347 CCC(=O)Oc1ccc2ccccc2c1 CSC000002294 [0,2,0,0,0,0|0,0,0]=2 58 B16R2.5347 CNC(=O)Nc1ccc2ccccc2c1 CSC000235001 [0,2,0,0,0,0|1,0,1]=4 59 B16R2.5347 NCC(=O)Nc1ccc2ccccc2c1 CSC000168428 [0,2,0,0,0,0|1,0,1]=4 60 B16R2.11975 CC(=O)Oc1ccc2ccc(=O)oc2c1 CSC000002116 [0,2,0,0,0,0|1,0,1]=4 61 B16R2.11975 CC(C)Oc1ccc2ccc(=O)oc2c1 CSC032829714 [0,2,0,0,0,0|1,0,0]=3 62 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Br CSC012354409 [0,2,0,0,0,0|2,0,0]=4 63 B16R2.33799 COC(=O)c1ccc2cc(ccc2c1)Br CSC011218122 [0,2,0,0,0,0|2,0,0]=4 64 B16R2.33799 COC(=O)c1ccc2cc(ccc2c1)O CSC000026998 [0,2,0,0,0,0|2,0,0]=4 65 B16R2.82802 CS(=O)(=O)Nc1ccc2ccccc2c1 CSC000165663 [0,2,0,0,0,0|2,0,0]=4 66 B14R2.7150 CCNc1cccc2c1cccc2 CSC000185437 [0,0,1,1,0,0|1,0,0]=3 67 B14R2.7150 CCOc1cccc2c1nccc2 CSC000169811 [0,0,1,1,0,0|1,0,0]=3 68 B14R2.7150 CCSc1cccc2c1nccc2 CSC000016721 [0,0,1,1,0,0|1,1,0]=4 69 B12R1.308 CCOC(=O)c1ccccc1Br CSC000169876 [0,0,1,0,1,0|2,0,0]=4 70 B12R1.308 CCOC(=O)c1ccccc1C CSC000170245 [0,0,1,0,1,0|1,0,1]=4 71 B12R1.308 CCOC(=O)c1ccccc1Cl CSC000169879 [0,0,1,0,1,0|2,0,0]=4 72 B12R1.308 CCOC(=O)c1ccccc1F CSC000170099 [0,0,1,0,1,0|2,0,0]=4 73 B12R1.308 CCOC(=O)c1ccccc1I CSC000170190 [0,0,1,0,1,0|2,0,0]=4 74 B12R1.308 CCOC(=O)c1ccccc1O CSC000169922 [0,0,1,0,1,0|2,0,0]=4