0 B7R1.2 C=C1C=CC(=O)O1 1661AA [0,0,0,0,0,0|1,0,2]=3 1 B7R1.2 CC1CCC(=O)C1 7470AF [0,0,0,0,0,0|2,0,1]=3 2 B7R1.2 ClC1=CC=C(Cl)O1 Z5526 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.2 NC1=NC=C(Cl)O1 3170AJ [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 NC1=NNC(=O)N1 2879AL [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 CC1=[C-]CC=C1 Y1619 [1,0,0,0,0,0|2,0,1]=4 6 B6R1.2 IC1=CC=CO1 Z5539 [1,0,0,0,0,0|1,0,2]=4 7 B6R1.2 NC1=CN=CO1 6270AC [1,0,0,0,0,0|2,0,1]=4 8 B6R1.2 O=C1C=CNC1 8696AB [1,0,0,0,0,0|2,0,0]=3 9 B6R1.2 O=C1CC=CN1 2602AB [1,0,0,0,0,0|1,0,1]=3 10 B6R1.2 O=C1CCNC1 R079 [1,0,0,0,0,0|2,0,0]=3 11 B6R1.2 O=C1CS[Ca]O1 7318AL [1,0,0,0,0,0|2,0,0]=3 12 B6R1.2 OC1CCCO1 5572AJ [1,0,0,0,0,0|0,0,3]=4 13 B6R1.2 [Mn]C1=CC=CC1 X6016 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.18 CN1CC(=O)N=C1N 5116AF [0,1,0,0,0,0|3,0,0]=4 15 B8R1.18 CN1CC(=O)N=C1N 7242AF [0,1,0,0,0,0|3,0,0]=4 16 B8R1.18 C[C@H]1NC(=O)NC1=O 2120AH [0,1,0,0,0,0|2,0,0]=3 17 B8R1.18 O=C1O[V](=O)OC1=O 6922AF [0,1,0,0,0,0|2,0,1]=4 18 B8R1.50 CC1=C(O)C(=O)CC1 5650AL [0,1,0,0,0,0|2,0,0]=3 19 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,1,0,0,0,0|2,0,1]=4 20 B8R1.51 O=C1CCC(F)(F)C1 3912AA [0,1,0,0,0,0|2,0,1]=4 21 B8R1.51 O=C1CCS(=O)(=O)O1 7024AF [0,1,0,0,0,0|1,0,0]=2 22 B6R0.1 CCOC(=O)CF C411 [0,0,1,0,0,0|2,0,1]=4 23 B6R0.2 CC(=N)CC(C)=O 7397AF [0,0,1,0,0,0|2,0,0]=3 24 B6R0.2 CC(=O)C[N+](=O)[O-] Z2334 [0,0,1,0,0,0|3,0,0]=4 25 B6R0.2 CC(=O)\C=C(\C)[O-] 7375AF [0,0,1,0,0,0|1,0,1]=3 26 B6R0.2 CC(C)=C=C(C)C 7761AF [0,0,1,0,0,0|3,0,0]=4 27 B6R0.2 C\C(N)=C\C(N)=O 7954AA [0,0,1,0,0,0|3,0,0]=4 28 B6R0.2 O=C(Cl)CC(=O)Cl 8788AJ [0,0,1,0,0,0|3,0,0]=4 29 B6R0.4 CN(C)CCC=O 0848AC [0,0,1,0,0,0|3,0,0]=4 30 B6R0.4 O=CNCC(=O)O Y4936 [0,0,1,0,0,0|1,0,0]=2 31 B6R1.4 O=C1CCC1Br 0705AD [0,0,0,0,1,0|1,0,1]=3 32 B6R1.4 O=C1CCC1Cl 7041AD [0,0,0,0,1,0|1,0,1]=3 33 B8R1.3 NC1CCC(=O)CC1 X7969 [0,0,0,0,0,1|2,0,1]=4 34 B8R1.4 CC1CCOC(=O)C1 2149AA [0,0,0,0,0,1|2,0,1]=4 35 B8R1.4 C[C@H]1CNCC(=O)N1 7823AA [0,0,0,0,0,1|2,0,1]=4 36 B8R1.4 NC1CCCC(=O)C1 7456AA [0,0,0,0,0,1|2,0,1]=4 37 B8R1.4 NC1CCCC(=O)C1 V9436 [0,0,0,0,0,1|2,0,1]=4 38 B8R1.4 NC1CCNC(=O)C1 V1291 [0,0,0,0,0,1|2,0,1]=4 39 B8R1.4 O=C1CC(=O)O[Ca]O1 7003AF [0,0,0,0,0,1|3,0,0]=4 40 B8R1.4 O=C1CC(=O)O[Ca]O1 7004AF [0,0,0,0,0,1|3,0,0]=4 41 B8R1.4 O=C1CNCC(=O)C1 4461AJ [0,0,0,0,0,1|1,0,0]=2 42 B5R0.1 CC(=O)CCS U742 [1,0,1,0,0,0|1,1,0]=4 43 B5R0.1 CC(O)CC=O 7261AF [1,0,1,0,0,0|1,0,1]=4 44 B5R0.1 CCCC(=O)[O-] M135 [1,0,1,0,0,0|0,0,2]=4 45 B5R0.1 CCO[PH](C)=O 8330AA [1,0,1,0,0,0|1,0,1]=4 46 B5R0.1 NC(=O)NC=O 6851AF [1,0,1,0,0,0|2,0,0]=4 47 B5R0.2 C=C\C=C\CC 4582AL [1,0,1,0,0,0|2,0,0]=4 48 B5R0.2 COCCC=O Y8542 [1,0,1,0,0,0|2,0,0]=4 49 B5R0.2 O=CCCC=O N715 [1,0,1,0,0,0|0,0,0]=2 50 B5R0.3 C=CC(=O)CBr V2439 [1,0,1,0,0,0|2,0,0]=4 51 B5R0.3 C=CC(=O)CCl 0235AP [1,0,1,0,0,0|2,0,0]=4 52 B5R0.3 CCC(=O)CN 2095AC [1,0,1,0,0,0|1,0,1]=4 53 B5R0.3 COC(=O)C=O Y1686 [1,0,1,0,0,0|1,0,0]=3 54 B5R0.3 COC(=O)CN W7382 [1,0,1,0,0,0|1,0,1]=4 55 B5R1.1 C1CCOC1 V2332 [2,0,0,0,0,0|0,0,2]=4 56 B5R1.1 C1CNOC1 4176AJ [2,0,0,0,0,0|1,0,1]=4 57 B7R0.2 CCC(=O)C[N+](=O)[O-] 1451AB [0,1,1,0,0,0|2,0,0]=4 58 B7R0.3 C=CCOC(=O)CC 7475AF [0,1,1,0,0,0|1,0,0]=3 59 B7R0.3 C=CCOC(=S)CC U627 [0,1,1,0,0,0|1,1,0]=4 60 B7R0.3 CCC(=O)\C=C\C=O Z6191 [0,1,1,0,0,0|1,0,0]=3 61 B7R0.3 COC(=O)\C=C\C=O 1381AC [0,1,1,0,0,0|2,0,0]=4 62 B7R0.5 CCOC(=O)[C@H](C)Cl 9674AJ [0,1,1,0,0,0|1,0,1]=4 63 B7R0.7 CCNC(=O)OCC 7331AF [0,1,1,0,0,0|1,0,1]=4 64 B7R0.7 CCOC(=O)CCN 5625AC [0,1,1,0,0,0|1,0,1]=4 65 B7R0.7 CCOC(=O)N=C=O X3467 [0,1,1,0,0,0|1,0,1]=4 66 B7R0.7 O=C=NC(=O)CCBr Y8100 [0,1,1,0,0,0|1,0,1]=4 67 B7R0.10 COC(=O)C(C)C=O Z3080 [0,1,1,0,0,0|2,0,0]=4 68 B7R0.4 C=CCCOC(=O)Cl Y4611 [0,1,1,0,0,0|2,0,0]=4 69 B7R0.4 CC(=O)OCCC=O 9702AA [0,1,1,0,0,0|1,0,0]=3 70 B7R0.4 NOCCCC(=O)O V9806 [0,1,1,0,0,0|0,0,2]=4 71 B7R0.6 O=C(O)CCC(=O)O 9603AL [0,1,1,0,0,0|0,0,0]=2 72 B7R0.6 O=C(O)\C=C/C(=O)O O758 [0,1,1,0,0,0|0,0,2]=4 73 B7R0.6 O=C(O)\N=N\C(=O)O 0987AP [0,1,1,0,0,0|2,0,0]=4 74 B7R0.6 O=C([O-])CCC(=O)O 7180AF [0,1,1,0,0,0|0,0,0]=2 75 B7R0.6 O=C([O-])CCC(=O)O V1664 [0,1,1,0,0,0|0,0,0]=2 76 B7R0.6 O=C([O-])CCC(=O)[O-] 7155AF [0,1,1,0,0,0|0,0,1]=3 77 B7R0.6 O=C([O-])CCC(=O)[O-] V1658 [0,1,1,0,0,0|0,0,1]=3 78 B7R0.6 O=C([O-])\C=C\C(=O)O O999 [0,1,1,0,0,0|0,0,2]=4 79 B7R1.4 NC1=CCOC1=O 3957AB [1,1,0,0,0,0|2,0,0]=4 80 B7R1.4 NC1CCNC1=O W4818 [1,1,0,0,0,0|1,0,1]=4 81 B7R1.4 N[C@@H]1CCNC1=O 1294AB [1,1,0,0,0,0|1,0,1]=4 82 B7R1.4 N[C@H]1CCNC1=O 5681AB [1,1,0,0,0,0|1,0,1]=4 83 B7R1.4 O=C1OCC=C1Br 1872AC [1,1,0,0,0,0|2,0,0]=4 84 B7R1.15 O=C1C=C([O-])C1=O 8854AJ [0,1,0,0,1,0|0,0,2]=4 85 B9R1.7 O=C1CC=C(CCO)O1 3979AC [0,2,0,0,0,0|0,0,2]=4 86 B9R1.132 COC1=C(Br)C(=O)CC1 Y6053 [0,2,0,0,0,0|1,0,1]=4 87 B9R1.37 O=C1OC(=O)C(Cl)C1Cl Y8481 [0,2,0,0,0,0|0,0,0]=2 88 B7R1.18 O=C(O)[C@@H]1CCN1 5483AB [0,0,1,1,0,0|1,0,1]=4 89 B5R0.5 CC(=O)C(C)Br V0402 [0,0,1,0,1,0|1,0,1]=4 90 B5R0.5 O=C(O)C(=O)O 6148AH [0,0,1,0,1,0|2,0,0]=4 91 B5R0.5 O=C(O)C(=O)O 9022AJ [0,0,1,0,1,0|2,0,0]=4 92 B5R0.5 O=C([O-])C(=O)O 6896AF [0,0,1,0,1,0|2,0,0]=4 93 B5R0.5 O=C([O-])C(=O)O 6897AF [0,0,1,0,1,0|2,0,0]=4 94 B5R0.5 O=C([O-])C(=O)[O-] 6911AF [0,0,1,0,1,0|2,0,0]=4 95 B5R0.5 O=C([O-])C(=O)[O-] 6912AF [0,0,1,0,1,0|2,0,0]=4 96 B5R0.5 O=C([O-])C(=O)[O-] 6914AF [0,0,1,0,1,0|2,0,0]=4 97 B5R0.5 O=C([O-])C(=O)[O-] 9972AL [0,0,1,0,1,0|2,0,0]=4 98 B5R0.5 O=C([O-])C(=O)[O-] L963 [0,0,1,0,1,0|2,0,0]=4 99 B5R0.5 O=C([O-])C(=O)[O-] X6823 [0,0,1,0,1,0|2,0,0]=4 100 B5R0.5 O=C([O-])C(=O)[O-] Z1768 [0,0,1,0,1,0|2,0,0]=4 101 B9R1.49 O=C1CCC(=O)O[Ca]O1 7142AF [0,0,0,0,0,2|0,0,0]=2