0 B13R1.3 CC(=O)CSc1ccc(cc1)OC A2Z00096137 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.3 CCc1ccc(cc1)OCC(=O)O A2Z00062497 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.3 COc1ccc(cc1)CNC(=O)N A2Z00085519 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O A2Z00033662 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.21 CC(=O)CCc1ccc(cc1)Br A2Z00049942 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.21 Cc1cc[n+](cc1)CCC(=O)O A2Z00069168 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.21 Cc1ccc(cc1)CCC(=O)O A2Z00082764 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.21 Cc1ccc(cc1)OCC(=O)Cl A2Z00038613 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.21 Cc1ccc(cc1)OCC(=O)O A2Z00097825 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A2Z00036119 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.21 c1cc(ccc1CCC(=O)O)Cl A2Z00038303 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.21 c1cc(ccc1CCC(=O)O)F A2Z00039157 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.21 c1cc(ccc1CCC(=O)O)O A2Z00096742 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.71 CNCCc1ccc(cc1)OC A2Z00045070 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.71 COc1ccc(cc1)CCCN A2Z00046194 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.71 COc1ccc(cc1)CN=[N+]=[N-] A2Z00096609 [1,0,0,0,0,0|3,0,0]=4 16 B14R1.2 CC(CC(=O)O)c1ccc(cc1)OC A2Z00094015 [0,1,0,0,0,0|2,0,0]=3 17 B14R1.2 CCc1ccc(cc1)C(C)CC(=O)Cl A2Z00046305 [0,1,0,0,0,0|3,0,0]=4 18 B14R1.2 CCc1ccc(cc1)C(C)CC(=O)O A2Z00094014 [0,1,0,0,0,0|3,0,0]=4 19 B14R1.2 C\C(=C/C(=O)O)\c1ccc(cc1)OC A2Z00046262 [0,1,0,0,0,0|2,0,1]=4 20 B14R1.142 CCOc1ccc(cc1)\C=C\C(=O)O A2Z00078823 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.4 CC(=O)Nc1ccc(cc1)C#N A2Z00050196 [0,0,0,0,1,0|3,0,0]=4 22 B12R1.4 CNc1ccc(cc1)CC(=O)O A2Z00049371 [0,0,0,0,1,0|2,0,0]=3 23 B12R1.4 COc1ccc(cc1)CC(=O)Cl A2Z00094314 [0,0,0,0,1,0|1,0,0]=2 24 B12R1.4 COc1ccc(cc1)CC(=O)O A2Z00093941 [0,0,0,0,1,0|1,0,0]=2 25 B12R1.4 COc1ccc(cc1)CC(=S)N A2Z00097997 [0,0,0,0,1,0|1,1,0]=3 26 B14R1.4 COc1ccc(cc1)OCCC(=O)O A2Z00095436 [0,0,0,0,0,1|2,0,0]=3 27 B11R1.91 CC(=O)NCc1ccccn1 A2Z00094956 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.83 COc1ccc(cc1)CC#N A2Z00038624 [2,0,0,0,0,0|1,0,1]=4 29 B11R1.83 COc1ccc(cc1)CCN A2Z00038582 [2,0,0,0,0,0|1,0,1]=4 30 B13R1.14 COC(=O)\C=C\c1ccc(cc1)O A2Z00098111 [1,1,0,0,0,0|1,0,1]=4 31 B13R1.14 Cc1ccc(cc1)CCC(=O)OC A2Z00096852 [1,1,0,0,0,0|1,0,0]=3 32 B13R1.14 c1cc(ccc1CNC(=O)CN)Cl A2Z00044973 [1,1,0,0,0,0|2,0,0]=4 33 B13R1.511 Cc1ccc(cc1C)CCC(=O)O A2Z00096813 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.371 COc1ccc(cc1)CCCCN A2Z00046206 [1,1,0,0,0,0|1,0,1]=4 35 B13R1.452 CNCC(c1ccc(cc1)OC)O A2Z00046550 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.36 CC(C)C(c1ccc(cc1)OC)N A2Z00087586 [0,1,0,0,1,0|1,0,1]=4 37 B15R1.5 COc1ccc(cc1)C(=O)CCC(=O)O A2Z00046345 [0,1,0,0,0,1|2,0,0]=4 38 B15R1.17 CCOc1ccc(cc1)CCCC(=O)O A2Z00094499 [0,1,0,0,0,1|2,0,0]=4 39 B15R1.206 COc1ccc(cc1)CCNC(=O)CCl A2Z00098633 [0,1,0,0,0,1|1,0,0]=3 40 B15R1.6 COc1ccc(cc1)C(C(C(=O)O)N)O A2Z00050163 [0,2,0,0,0,0|2,0,0]=4 41 B13R2.669 CCc1ccc2c(c1)C(=O)CC2 A2Z00047933 [1,0,0,1,0,0|2,0,0]=4 42 B13R2.669 COc1ccc2c(c1)C(=O)CC2 A2Z00094228 [1,0,0,1,0,0|1,0,0]=3 43 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC A2Z00095928 [0,0,0,1,1,0|2,0,0]=4 44 B13R2.2121 Cc1nc2ccc(cc2s1)OC A2Z00097537 [0,0,0,1,1,0|1,1,0]=4 45 B15R2.89396 COc1ccc2c(c1)[nH]c(=O)oc2=O A2Z00096624 [0,1,0,1,0,0|1,0,1]=4 46 B15R2.4834 CC(=O)c1cc2cc(ccc2o1)OC A2Z00097865 [0,1,0,1,0,0|2,0,0]=4 47 B15R2.7688 c1cc2c(cc1CCC(=O)N)OCO2 A2Z00049445 [0,1,0,1,0,0|2,0,0]=4 48 B15R2.7688 c1cc2c(cc1CCC(=O)O)CCO2 A2Z00087185 [0,1,0,1,0,0|2,0,0]=4 49 B15R2.7688 c1cc2c(cc1CCC(=O)O)OCO2 A2Z00094524 [0,1,0,1,0,0|2,0,0]=4 50 B11R1.20 CC(=O)Cc1ccc(cc1)Br A2Z00095994 [1,0,0,0,1,0|1,0,0]=3 51 B11R1.20 c1cc(ccc1CC(=O)O)O A2Z00062185 [1,0,0,0,1,0|1,0,0]=3 52 B11R1.3 CC(C)c1ccc(cc1)OC A2Z00094996 [0,0,0,0,2,0|1,0,1]=4 53 B11R1.3 CC(c1ccc(cc1)OC)Cl A2Z00048085 [0,0,0,0,2,0|1,0,1]=4 54 B11R1.3 CC(c1ccc(cc1)OC)N A2Z00038484 [0,0,0,0,2,0|1,0,1]=4 55 B11R1.3 CC(c1ccc(cc1)OC)O A2Z00094294 [0,0,0,0,2,0|0,0,2]=4 56 B11R1.3 CCc1ccc(cc1)C(=O)O A2Z00083092 [0,0,0,0,2,0|2,0,0]=4 57 B11R1.3 COc1ccc(cc1)C(=O)O A2Z00038625 [0,0,0,0,2,0|1,0,0]=3 58 B11R1.3 COc1ccc(cc1)C(=S)N A2Z00038402 [0,0,0,0,2,0|1,1,0]=4 59 B13R1.513 Cc1ccc(cc1)CCCC(=O)Cl A2Z00046336 [1,0,0,0,0,1|2,0,0]=4 60 B13R1.513 Cc1ccc(cc1)CCCC(=O)O A2Z00046329 [1,0,0,0,0,1|2,0,0]=4 61 B13R1.513 Cc1ccc(cc1)OCCC(=O)O A2Z00070855 [1,0,0,0,0,1|2,0,0]=4 62 B15R1.4 COc1ccc(cc1)CCCCC(=O)Cl A2Z00046342 [0,0,0,0,0,2|2,0,0]=4 63 B15R1.4 COc1ccc(cc1)CCCCC(=O)O A2Z00094029 [0,0,0,0,0,2|2,0,0]=4 64 B15R1.4 COc1ccc(cc1)OCCCC(=O)O A2Z00033651 [0,0,0,0,0,2|2,0,0]=4