0 B11R1.28 BrCCCOC1=CC=CC=C1 CS-0030579 [1,0,0,0,0,0|2,0,1]=4 1 B11R1.28 BrCCOCC1=CC=CC=C1 CS-W007388 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.28 NCCOCC1=CC=CC=C1 CS-W018620 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 OCCCCC1=CC=CC=C1 CS-W018137 [1,0,0,0,0,0|0,0,1]=2 4 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 CS-W014999 [0,1,0,0,0,0|1,0,1]=3 5 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 CS-0040775 [0,1,0,0,0,0|0,0,3]=4 6 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 CS-W021989 [0,1,0,0,0,0|0,0,0]=1 7 B13R1.158 O=C(O)C\C=C\C1=CC=CC=C1F CS-M0695 [0,1,0,0,0,0|0,0,2]=3 8 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O CS-M0172 [0,1,0,0,0,0|1,0,0]=2 9 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 CS-M0889 [0,1,0,0,0,0|0,0,0]=1 10 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 CS-0030811 [0,1,0,0,0,0|0,0,0]=1 11 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 CS-W017265 [0,1,0,0,0,0|0,0,0]=1 12 B13R1.718 [C@H](O)(CO)COCC1=CC=CC=C1 CS-W017108 [0,1,0,0,0,0|1,0,2]=4 13 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 CS-0031471 [0,0,0,1,0,0|2,0,0]=3 14 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 CS-W018638 [0,0,0,1,0,0|0,0,0]=1 15 B13R2.163 O=C1CCCC2=CC=CC=C2N1 CS-D0727 [0,0,0,1,0,0|1,0,0]=2 16 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 CS-W021743 [0,0,0,1,0,0|0,0,0]=1 17 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 CS-B1359 [0,0,0,1,0,0|2,0,1]=4 18 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [0,0,0,0,1,0|1,0,2]=4 19 B11R1.91 N=C(O)OCC1=CC=CC=C1 CS-W004984 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [0,0,0,0,1,0|1,0,0]=2 21 B11R1.91 O=C(O)CSC1=CC=NC=C1 CS-W016033 [0,0,0,0,1,0|2,0,0]=3 22 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [0,0,0,0,1,0|1,0,2]=4 23 B10R1.17 BrCCOC1=CC=CC=C1 CS-W015572 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.17 ClCCSC1=CC=CC=C1 CS-M0048 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 O=C\C=C\C1=CC=CC=C1 CS-0009609 [2,0,0,0,0,0|0,0,2]=4 27 B10R1.17 OCCCC1=NC=CC=C1 CS-0079867 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.1 FC1=CC=C(CCCCCl)C=C1 CS-0042392 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.8 NCCCNCC1=CC=CC=C1 CS-W022916 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.30 NC(CCCO)C1=CC=CC=C1 CS-0028348 [1,1,0,0,0,0|0,0,1]=3 31 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS-W023196 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.267 C=CCCOC1=CC=CC=C1Br CS-M0599 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.21 C(C(=O)O)=CC1=CC=C(C)C=C1 CS-W016115 [0,1,0,0,1,0|0,0,2]=4 34 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS-W007646 [0,1,0,0,1,0|0,0,0]=2 35 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 CS-0035436 [0,1,0,0,1,0|1,0,0]=3 36 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O CS-W005088 [0,1,0,0,1,0|0,0,1]=3 37 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W007567 [0,1,0,0,1,0|1,0,0]=3 38 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O CS-0015951 [0,1,0,0,1,0|1,0,0]=3 39 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS-W014323 [0,1,0,0,1,0|1,0,1]=4 40 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CS-W017905 [0,1,0,0,1,0|0,0,0]=2 41 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 CS-M0651 [0,1,0,0,1,0|2,0,0]=4 42 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 CS-M0652 [0,1,0,0,1,0|2,0,0]=4 43 B12R1.125 O=C(O)CSC1=CC=CC=C1Cl CS-B1577 [0,1,0,0,1,0|1,0,0]=3 44 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 CS-M2097 [0,1,0,0,1,0|0,0,0]=2 45 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 CS-M2096 [0,1,0,0,1,0|0,0,2]=4 46 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 CS-0102086 [0,1,0,0,1,0|1,0,0]=3 47 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 CS-W015848 [0,1,0,0,0,1|1,0,1]=4 48 B14R1.818 O=C(O)CC(=O)OCC1=CC=CC=C1 CS-0091017 [0,1,0,0,0,1|0,0,1]=3 49 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 CS-W010603 [0,2,0,0,0,0|0,0,1]=3 50 B14R1.756 COC(=O)C(=O)CCC1=CC=CC=C1 CS-0067775 [0,2,0,0,0,0|0,0,1]=3 51 B14R1.756 COC(=O)[C@@H](C)OCC1=CC=CC=C1 CS-M3386 [0,2,0,0,0,0|1,0,0]=3 52 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 CS-W022000 [0,2,0,0,0,0|0,0,0]=2 53 B14R1.4 COC1=CC=C(COCC(=O)O)C=C1 CS-W018970 [0,2,0,0,0,0|1,0,0]=3 54 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 CS-W005992 [0,2,0,0,0,0|0,0,0]=2 55 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 CS-M2454 [0,2,0,0,0,0|2,0,0]=4 56 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS-M0975 [0,2,0,0,0,0|1,0,0]=3 57 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS-W010686 [0,2,0,0,0,0|1,0,0]=3 58 B12R2.1 O\N=C1/CCC2=C1C=CC=C2 CS-0036537 [1,0,0,1,0,0|1,0,1]=4 59 B12R2.2 C1=CC=C(C2CCNC2)C=C1 CS-0046245 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 CS-0038202 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 CS-W006442 [1,0,0,1,0,0|1,0,1]=4 62 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 CS-W007717 [1,0,0,1,0,0|1,0,1]=4 63 B12R2.1081 O=C1CCCC2=C1C=CN=C2 CS-W022523 [1,0,0,1,0,0|1,0,0]=3 64 B12R2.1081 O=C1CCCC2=C1N=CC=C2 CS-D1458 [1,0,0,1,0,0|1,0,0]=3 65 B12R2.1081 O=C1CCNC2=C1C=CC=C2 CS-W021492 [1,0,0,1,0,0|1,0,0]=3 66 B12R2.1081 O=C1CSCC2=CC=CC=C12 CS-0063869 [1,0,0,1,0,0|1,0,0]=3 67 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [0,0,0,1,1,0|2,0,0]=4 68 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 CS-0046843 [0,0,0,1,1,0|2,0,0]=4 69 B12R2.24 O=C1COC2=CC=CC=C2O1 CS-0062232 [0,0,0,1,1,0|1,0,0]=3 70 B14R2.2 O=C(O)CN1C=NC2=C1C=CC=C2 CS-0045375 [0,0,0,1,0,1|1,0,1]=4 71 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 CS-D1768 [0,0,0,1,0,1|1,0,0]=3 72 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 CS-0005330 [0,0,0,1,0,1|0,0,0]=2 73 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 CS-W020725 [0,0,0,1,0,1|0,0,0]=2 74 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 CS-W008596 [0,1,0,1,0,0|1,0,0]=3 75 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 CS-M3477 [0,1,0,1,0,0|1,0,1]=4 76 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(F)=C2 CS-0044563 [0,1,0,1,0,0|0,0,0]=2 77 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 CS-W004987 [0,1,0,1,0,0|1,0,0]=3 78 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 CS-0038563 [0,1,0,1,0,0|0,0,0]=2 79 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 CS-D1187 [0,1,0,1,0,0|1,0,0]=3 80 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2Br CS-0044564 [0,1,0,1,0,0|0,0,0]=2 81 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2F CS-0047730 [0,1,0,1,0,0|0,0,0]=2 82 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 CS-0108148 [0,1,0,1,0,0|2,0,0]=4 83 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 CS-0101081 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 CS-0046841 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.5816 O=C(O)C1CCC2=C1C=C(Br)C=C2 CS-W022454 [0,1,0,1,0,0|0,0,0]=2 86 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [0,0,0,0,2,0|1,0,0]=3 87 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [0,0,0,0,2,0|2,0,0]=4 88 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [0,0,0,0,2,0|1,0,0]=3 89 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 CS-W022004 [0,0,0,0,0,2|0,0,0]=2