0 B7R0.3 C=CC(=O)NCCC 3769AL [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 CCCCC(=O)CCl 6831AD [0,0,0,0,0,0|3,0,0]=3 2 B7R0.3 CNC(=O)CCCO 2742AL [0,0,0,0,0,0|3,0,0]=3 3 B7R0.3 CNC(=O)CN=[N+]=[N-] 4587AF [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 CCCC(=O)OC 8838AJ [1,0,0,0,0,0|0,0,0]=1 5 B6R0.1 CCCC(Cl)CC 6028AL [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 COC(=N)CCCl 3040AC [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 COC(=N)CCCl W4440 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.1 COC(=O)NC=O 3236AB [1,0,0,0,0,0|1,1,1]=4 9 B6R0.4 CCCC[Sn](=O)O 8518AL [1,0,0,0,0,0|2,0,0]=3 10 B6R0.4 C\C=C\CC(=O)O 6149AL [1,0,0,0,0,0|1,0,1]=3 11 B6R0.6 COCCCC=O Y8222 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.1 CCOC(=O)CCC=O Y1687 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.1 CCOC(=O)CCCCl X7914 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.1 CCOCC(=O)OCC X4417 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.3 COC(=O)[C@@H](N)CCBr 3496AL [0,1,0,0,0,0|2,0,0]=3 16 B8R0.3 CO\C=C(/I)C(=O)OC 1336AL [0,1,0,0,0,0|0,1,2]=4 17 B8R0.6 COC(=O)CCNC=O 4147AB [0,1,0,0,0,0|1,0,1]=3 18 B8R0.6 COCCOC(=O)CCl 7354AL [0,1,0,0,0,0|2,1,0]=4 19 B8R0.9 COC(=O)CCN(C)C 4989AB [0,1,0,0,0,0|1,0,0]=2 20 B8R0.19 COC(=N)CC(=N)OC 1040AC [0,1,0,0,0,0|1,1,1]=4 21 B8R0.19 COC(=O)CC(O)CCl 1082AA [0,1,0,0,0,0|2,0,0]=3 22 B8R0.25 CCS(=O)(=O)CCNC 3512AD [0,1,0,0,0,0|3,0,0]=4 23 B8R1.1 C=C[C@@H]1COC(=O)C1 4157AA [0,0,0,1,0,0|1,0,1]=3 24 B8R1.1 C=C[C@H]1COC(=O)C1 1309AL [0,0,0,1,0,0|1,0,1]=3 25 B8R1.1 CCN1CCC(=O)C1 0571AA [0,0,0,1,0,0|3,0,0]=4 26 B8R1.1 COC1CCC(=O)N1 W1034 [0,0,0,1,0,0|2,1,0]=4 27 B8R1.2 CNC1CCSCC1 7537AD [0,0,0,1,0,0|2,0,1]=4 28 B8R1.2 COC1=CCOCC1 Y5304 [0,0,0,1,0,0|1,1,0]=3 29 B8R1.3 C=C1CCN(C)CC1 6500AA [0,0,0,1,0,0|3,0,0]=4 30 B8R1.3 CC1COC(=O)OC1 3991AC [0,0,0,1,0,0|2,0,0]=3 31 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [0,0,0,1,0,0|3,0,0]=4 32 B8R1.3 O=C1COC(=O)CN1 3606AL [0,0,0,1,0,0|3,0,0]=4 33 B8R1.5 NC1CCCCC1=O Y8332 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.5 O=C1CCCCC1F Z5041 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.22 O=C1COCCCN1 1535AL [0,0,0,1,0,0|3,0,0]=4 36 B8R1.38 CNC(=O)C1CCC1 4798AA [0,0,0,1,0,0|2,0,0]=3 37 B5R0.1 CCNC(=O)Cl Y1298 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.1 NCCC(N)=O 6432AB [2,0,0,0,0,0|2,0,0]=4 39 B7R0.2 CNC(=O)CC(C)N 5418AE [1,1,0,0,0,0|1,0,0]=3 40 B7R0.2 COC(=O)CC(=N)N 7010AJ [1,1,0,0,0,0|1,0,1]=4 41 B7R0.2 COC(=O)CC(C)N TMBA004 [1,1,0,0,0,0|0,0,0]=2 42 B7R0.7 CCOC(=O)NOC 2240AE [1,1,0,0,0,0|1,0,0]=3 43 B7R0.10 CCC(=O)C(=O)OC W5987 [1,1,0,0,0,0|0,0,1]=3 44 B7R0.10 CNC(=O)C(C)NC 7051AE [1,1,0,0,0,0|2,0,0]=4 45 B7R0.10 CNC(C)C(=O)OC TMA004 [1,1,0,0,0,0|1,0,0]=3 46 B7R0.10 COC(=O)C(Cl)CO 0534AQ [1,1,0,0,0,0|0,1,0]=3 47 B7R0.10 COC(=O)C(O)CN 7006AJ [1,1,0,0,0,0|1,0,0]=3 48 B7R0.4 C=C(C)CC\C=C\C 5695AL [1,1,0,0,0,0|2,0,0]=4 49 B7R0.4 NCCNCC(=O)O W4767 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.6 CC(=O)CC[N+](=O)[O-] 2788AL [1,1,0,0,0,0|2,0,0]=4 51 B7R0.1 CC\C=C/CCCC 7443AL [1,1,0,0,0,0|2,0,0]=4 52 B7R0.1 COCCCCCBr Y7509 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.34 CCOC(=O)C[C@H](O)C#N 6012AA [0,2,0,0,0,0|2,0,0]=4 54 B9R0.34 CCOC(=O)C[C@H](O)CI 1321AL [0,2,0,0,0,0|2,0,0]=4 55 B9R0.35 C=C(CCC)C(=O)OCC 1429AQ [0,2,0,0,0,0|1,0,1]=4 56 B9R0.48 CCOC(=O)CC[N+](=O)[O-] Y8858 [0,2,0,0,0,0|2,0,0]=4 57 B9R0.23 COC(=O)C(C)CN(C)C 0550AA [0,2,0,0,0,0|1,0,0]=3 58 B9R0.23 COC(=O)[C@H](N)CC(=O)O 5515AA [0,2,0,0,0,0|2,0,0]=4 59 B9R0.60 C=CC[C@@](C)(N)C(=O)OC 8968AH [0,2,0,0,0,0|1,0,1]=4 60 B9R0.60 C=CC[C@](C)(N)C(=O)OC 9127AH [0,2,0,0,0,0|1,0,1]=4 61 B9R0.24 CCC(=O)CCC(=O)CC 3019AB [0,2,0,0,0,0|2,0,0]=4 62 B9R0.46 C=CCCCCC(=O)OC 0116AQ [0,2,0,0,0,0|1,0,0]=3 63 B9R0.42 COC(=O)CC(N)C(C)C TMBA012 [0,2,0,0,0,0|1,0,0]=3 64 B9R0.42 COC(=O)CC(O)C(=O)O W1885 [0,2,0,0,0,0|2,0,0]=4 65 B9R0.42 COC(=O)C[C@@H](C)C(=O)O 2589AC [0,2,0,0,0,0|2,0,0]=4 66 B9R0.21 CNC(=O)CCC(C)(C)N 3218AD [0,2,0,0,0,0|2,0,0]=4 67 B7R1.1 CCC1=CCCC1 4839AL [1,0,0,1,0,0|2,0,0]=4 68 B7R1.2 CC1CNC(=O)C1 X7991 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.2 CC1CNC(=O)O1 8398AC [1,0,0,1,0,0|2,0,0]=4 70 B7R1.2 CC1CSC(=O)S1 0954AB [1,0,0,1,0,0|1,1,0]=4 71 B7R1.2 N[C@@H]1CNC(=O)C1 9184AH [1,0,0,1,0,0|2,0,0]=4 72 B7R1.2 N[C@H]1CNC(=O)C1 9015AH [1,0,0,1,0,0|2,0,0]=4 73 B7R1.2 O=C1CCC(F)C1 3909AA [1,0,0,1,0,0|2,0,0]=4 74 B7R1.2 O=C1C[C@@H](S)CN1 1221AL [1,0,0,1,0,0|1,0,0]=3 75 B7R1.3 O=C1CNCCO1 W6328 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.4 CC1CSCC1=O 6972AB [1,0,0,1,0,0|1,0,0]=3 77 B7R1.12 CC1CC1C(N)=O 0078AF [1,0,0,1,0,0|2,0,0]=4 78 B7R1.18 O=C(O)C1CSC1 1921AC [1,0,0,1,0,0|0,0,0]=2 79 B7R1.24 C1=CCCNCC1 X2002 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.24 C1CCCOCC1 8040AL [1,0,0,1,0,0|1,0,1]=4 81 B9R1.2 CCC1CC(=O)CCN1 1709AJ [0,1,0,1,0,0|2,0,0]=4 82 B9R1.15 COC1=CCCCC1=O 1767AJ [0,1,0,1,0,0|1,0,1]=4 83 B9R1.15 COC1CNCCC1=O 2327AJ [0,1,0,1,0,0|1,0,0]=3 84 B9R1.15 O=C1CCCCC1CO 7564AB [0,1,0,1,0,0|2,0,0]=4 85 B9R1.49 CN1CCNC(=O)CC1 3270AC [0,1,0,1,0,0|2,0,0]=4 86 B9R1.49 O=C1CCNC(=O)CC1 3823AJ [0,1,0,1,0,0|2,0,0]=4 87 B9R1.183 CCOC(=O)[C@H]1C[C@H]1F 3219AL [0,1,0,1,0,0|2,0,0]=4 88 B9R1.3 CN1CCCC(N)C1=O 2119AJ [0,1,0,1,0,0|2,0,0]=4 89 B9R1.3 CN1CCC[C@@H](N)C1=O 8989AH [0,1,0,1,0,0|2,0,0]=4 90 B9R1.3 CN1CCC[C@H](N)C1=O 6486AC [0,1,0,1,0,0|2,0,0]=4 91 B9R1.3 CN1CCC[C@H](N)C1=O 9155AH [0,1,0,1,0,0|2,0,0]=4 92 B9R1.5 CN1CCCNCC1=O 8136AE [0,1,0,1,0,0|2,0,0]=4 93 B9R1.5 N[C@H]1CSCCNC1=O 3471AF [0,1,0,1,0,0|1,0,0]=3 94 B9R1.11 COC(=O)C1CSCN1 6568AE [0,1,0,1,0,0|0,0,0]=2 95 B9R1.11 NOC(=O)C1CCOC1 Y5069 [0,1,0,1,0,0|1,1,0]=4 96 B9R1.82 COC(=O)C1CC(N)C1 3593AA [0,1,0,1,0,0|1,0,0]=3 97 B9R1.82 COC(=O)C1CC(N)C1 6340AA [0,1,0,1,0,0|1,0,0]=3 98 B9R1.132 CN1C(=O)CCC1CN X2997 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.1 COC1=CCC(O)CC1 0663AC [0,1,0,1,0,0|2,0,0]=4 100 B9R1.1 NCC1CCC(=O)CC1 5848AC [0,1,0,1,0,0|2,0,0]=4 101 B9R1.79 COC(=O)CC1CCC1 1218AC [0,1,0,1,0,0|1,0,0]=3 102 B9R1.79 COC(=O)CC1COC1 1315AD [0,1,0,1,0,0|0,1,0]=3 103 B9R1.81 COC(=O)[C@H]1CC[C@H]1N 4769AE [0,1,0,1,0,0|1,0,0]=3 104 B9R1.40 CC1(C)CCCCC1=O X4695 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.40 CC1(C)CNCCC1=O 7548AA [0,1,0,1,0,0|2,0,0]=4 106 B9R1.113 COC(=O)CC1(N)CC1 0940AA [0,1,0,1,0,0|1,0,0]=3 107 B9R1.113 COC(=O)CC1(N)CC1 5024AB [0,1,0,1,0,0|1,0,0]=3