0 B7R0.7 CCCC(=S)OCC R545 [0,0,0,0,0,0|1,1,0]=2 1 B7R0.7 CCCS(=O)CCC 7566AF [0,0,0,0,0,0|3,0,0]=3 2 B7R0.7 CCNC(=O)OCC 7331AF [0,0,0,0,0,0|2,0,0]=2 3 B7R0.7 CCOC(=O)CCN 5625AC [0,0,0,0,0,0|1,0,0]=1 4 B7R0.7 CCOC(=O)N=C=O X3467 [0,0,0,0,0,0|1,1,1]=3 5 B7R0.7 CCOP(C)OCC R038 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.7 O=C(CCBr)CCBr 6817AA [0,0,0,0,0,0|3,0,0]=3 7 B7R0.7 O=C(CCCl)CCCl R711 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.7 O=C=NC(=O)CCBr Y8100 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CCCC(N)CC 7574AF [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CCN(C)CCO Z5820 [1,0,0,0,0,0|2,1,0]=4 11 B6R0.1 CCOC(=O)CF C411 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.1 CCOC(Br)CBr V0731 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 COC(=O)CCN 5700AB [1,0,0,0,0,0|1,0,0]=2 14 B6R0.1 COC(=O)NC#N S843 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 CCCCCCF 7535AF [1,0,0,0,0,0|2,0,1]=4 16 B6R0.6 OCCOCCS 5680AL [1,0,0,0,0,0|3,0,0]=4 17 B8R0.1 C=CCOC(=O)CCC 7766AF [0,1,0,0,0,0|1,0,1]=3 18 B8R0.1 CCC#CC(=O)OCC X3933 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.1 CCCC(=O)OCSC Y1950 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.3 CCOC(=O)C(N)C#N 3670AB [0,1,0,0,0,0|1,0,1]=3 21 B8R0.3 C\C=C\C(=O)C(C)CC Z6103 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.5 CCCC(=O)CC(C)=O 3453AL [0,1,0,0,0,0|1,1,1]=4 23 B8R0.5 CCOC(=O)OC(C)I 9891AH [0,1,0,0,0,0|2,0,0]=3 24 B8R0.5 C\C=C\C(=O)OC(C)C 8103AL [0,1,0,0,0,0|1,0,2]=4 25 B8R1.4 CC1CCOC(=O)C1 2149AA [0,0,0,1,0,0|1,0,0]=2 26 B8R1.4 C[C@H]1CNCC(=O)N1 7823AA [0,0,0,1,0,0|3,0,0]=4 27 B8R1.4 NC1CCCC(=O)C1 7456AA [0,0,0,1,0,0|2,0,0]=3 28 B8R1.4 NC1CCCC(=O)C1 V9436 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.4 NC1CCNC(=O)C1 V1291 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.22 O=C1CCCCCN1 X5632 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.22 O=S1CCCNCC1 1742AA [0,0,0,1,0,0|3,0,0]=4 32 B5R0.1 CC(=O)CCS U742 [2,0,0,0,0,0|0,0,0]=2 33 B5R0.1 CCCC(=O)[O-] M135 [2,0,0,0,0,0|1,0,1]=4 34 B5R0.1 CCO[PH](C)=O 8330AA [2,0,0,0,0,0|1,0,0]=3 35 B5R0.2 CCO\C=C/Br 7961AD [2,0,0,0,0,0|1,0,1]=4 36 B5R0.3 CCC(=O)CN 2095AC [2,0,0,0,0,0|1,0,0]=3 37 B5R0.3 COC(=O)C=O Y1686 [2,0,0,0,0,0|0,1,1]=4 38 B5R0.3 COC(=O)CN W7382 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.3 O=C(CF)CF 3891AE [2,0,0,0,0,0|2,0,0]=4 40 B5R0.3 O=C(CO)CBr 0236AP [2,0,0,0,0,0|1,1,0]=4 41 B7R0.2 CC(C)CC(=O)CBr Y8593 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.2 CCC(=O)C[N+](=O)[O-] 1451AB [1,1,0,0,0,0|1,1,0]=4 43 B7R0.3 C=CCOC(=O)CC 7475AF [1,1,0,0,0,0|0,0,1]=3 44 B7R0.3 C=CCOC(=S)CC U627 [1,1,0,0,0,0|0,1,1]=4 45 B7R0.3 CCC(C)OCCO 1705AL [1,1,0,0,0,0|1,0,1]=4 46 B7R0.3 CCCOC(=O)CCl U589 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.3 CCCOC(=O)CN 3440AL [1,1,0,0,0,0|1,0,0]=3 48 B7R0.3 CC\C=C\C(=O)OC Y2122 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.3 COC(=O)CCCO 3568AL [1,1,0,0,0,0|0,1,0]=3 50 B7R0.5 C=C(Cl)C(=O)OCC 7371AF [1,1,0,0,0,0|0,0,2]=4 51 B7R0.5 CCOC(=O)N(Cl)Cl P945 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.5 CCOC(=O)[C@H](C)Cl 9674AJ [1,1,0,0,0,0|0,0,0]=2 53 B7R0.10 CCC(C)C(=O)SC U625 [1,1,0,0,0,0|1,1,0]=4 54 B7R0.10 COC(=O)C(Br)CF 4787AD [1,1,0,0,0,0|1,0,0]=3 55 B7R0.10 COC(=O)C(C)C=O Z3080 [1,1,0,0,0,0|0,1,1]=4 56 B7R0.10 COC(=O)C(C)CN X3684 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.10 COC(=O)C(N)CO 0759AB [1,1,0,0,0,0|0,1,0]=3 58 B7R0.10 COC(=O)C(O)OC 0175AB [1,1,0,0,0,0|2,0,0]=4 59 B7R0.11 CCS(=O)(=O)CCO 4648AE [1,1,0,0,0,0|1,1,0]=4 60 B7R0.1 CCCCOCCBr 7502AE [1,1,0,0,0,0|1,0,1]=4 61 B7R0.1 CCCOCCCO 9024AJ [1,1,0,0,0,0|0,1,1]=4 62 B7R0.4 CCC\C=C\C(C)C 7959AF [1,1,0,0,0,0|2,0,0]=4 63 B9R0.4 CC(=O)CC(=O)OCCCl 7886AB [0,2,0,0,0,0|0,1,1]=4 64 B9R0.18 CCCOC(=O)OCCC 7800AF [0,2,0,0,0,0|1,0,0]=3 65 B9R0.35 CCCC(O)C(=O)OCC 7801AF [0,2,0,0,0,0|1,0,0]=3 66 B9R0.35 CCOC(=O)C(C)N=C=O 4062AD [0,2,0,0,0,0|0,1,1]=4 67 B9R0.35 CCOC(=O)C(C)N=C=S Y8985 [0,2,0,0,0,0|0,0,2]=4 68 B9R0.35 CCOC(=O)C(C)NC=O Z3188 [0,2,0,0,0,0|0,1,1]=4 69 B9R0.6 CCOC(=O)C(C)C(C)C 5234AE [0,2,0,0,0,0|1,0,0]=3 70 B9R0.19 C=CC(C)(C)C(=O)OCC 4027AJ [0,2,0,0,0,0|1,0,1]=4 71 B9R0.19 CCOC(=O)C(C)(Br)CBr 8548AE [0,2,0,0,0,0|1,0,0]=3 72 B9R0.19 CCOC(=O)C(C)(Br)CC 7736AB [0,2,0,0,0,0|1,0,0]=3 73 B7R1.2 CC1CCC(=O)C1 7470AF [1,0,0,1,0,0|1,0,0]=3 74 B7R1.3 C=C1CCCCC1 3293AA [1,0,0,1,0,0|2,0,0]=4 75 B7R1.3 NC1=NCCSC1 8863AE [1,0,0,1,0,0|2,0,0]=4 76 B7R1.3 NC1CCSCC1 V4406 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.3 O=C1CCCNC1 7001AB [1,0,0,1,0,0|2,0,0]=4 78 B7R1.3 O=S1CCCCC1 V2389 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.4 CC1=C(S)CCO1 R544 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.4 NC1CCNC1=O W4818 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.4 N[C@@H]1CCNC1=O 1294AB [1,0,0,1,0,0|2,0,0]=4 82 B7R1.4 N[C@H]1CCNC1=O 5681AB [1,0,0,1,0,0|2,0,0]=4 83 B7R1.22 COC(=O)[C@@H]1CN1 1314AL [1,0,0,1,0,0|1,0,0]=3 84 B7R1.24 C1CNOCCN1 9264AH [1,0,0,1,0,0|2,0,0]=4 85 B9R1.69 CN1CCC(N)CC1=O 2791AF [0,1,0,1,0,0|2,0,0]=4 86 B9R1.73 CCOC(=O)C1CNC1 2387AC [0,1,0,1,0,0|1,0,0]=3 87 B9R1.183 CCOC(=O)[C@@H]1O[C@@H]1C O019 [0,1,0,1,0,0|0,1,0]=3 88 B9R1.3 O=C1NCCC(O)C1Cl 9133AF [0,1,0,1,0,0|1,1,0]=4 89 B9R1.5 O=C1CCCCCC1Br 9448AE [0,1,0,1,0,0|2,0,0]=4 90 B9R1.34 C[C@H]1CC(=O)C[C@H](C)N1 4678AJ [0,1,0,1,0,0|2,0,0]=4