0 B8R0.8 C=C(C)C(=O)OCCF 8148AE [0,0,0,0,0,0|3,0,0]=3 1 B8R0.8 CCCOC(C)C(=O)O 5764AE [0,0,0,0,0,0|3,0,1]=4 2 B8R0.8 CSCCC(O)C(=O)O 5652AL [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 C=CC(=O)NCCC 3769AL [1,0,0,0,0,0|1,0,1]=3 4 B7R0.3 CCCCC(=O)CCl 6831AD [1,0,0,0,0,0|1,0,1]=3 5 B7R0.3 CCO\C=C(/C)C=O 3175AE [1,0,0,0,0,0|2,0,1]=4 6 B7R0.3 CNC(=O)CCCO 2742AL [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 CCCCC[C@@H](C)N Z2122 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.4 C\C=C\C=C\C(C)=O 5332AL [1,0,0,0,0,0|0,0,3]=4 9 B7R0.5 CCCC(C)C(C)=O 2081AB [1,0,0,0,0,0|1,0,1]=3 10 B7R0.5 CCC[C@H](Cl)C(=O)O Z6042 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.6 CCOC(=O)C(=O)C(C)=O 8867AA [0,1,0,0,0,0|1,0,1]=3 12 B9R0.13 CCCCC(CO)C(C)=O 0020AC [0,1,0,0,0,0|0,0,2]=3 13 B9R0.13 CCCC[C@@H](CO)C(=O)O 9137AH [0,1,0,0,0,0|1,0,2]=4 14 B9R0.47 NC(CCCCO)C(=O)O 3217AB [0,1,0,0,0,0|2,0,1]=4 15 B9R0.47 N[C@@H](CCCCO)C(=O)O 8990AB [0,1,0,0,0,0|2,0,1]=4 16 B9R0.47 O=C(O)C(Br)CCCCBr 5812AA [0,1,0,0,0,0|2,0,1]=4 17 B9R1.5 CN1CCCNCC1=O 8136AE [0,0,0,1,0,0|3,0,0]=4 18 B9R1.6 CC(=O)C1CNCCO1 9531AH [0,0,0,1,0,0|1,0,2]=4 19 B9R1.6 CC(=O)N1CCNCC1 Y1341 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.6 CC(C)=C1CCNCC1 0782AF [0,0,0,1,0,0|3,0,0]=4 21 B9R1.6 O=C(O)C1=CCCNC1 Y1163 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.6 O=C(O)C1=CCNCC1 7359AE [0,0,0,1,0,0|3,0,0]=4 23 B9R1.6 O=C([O-])C1CCCCC1 6421AA [0,0,0,1,0,0|2,0,1]=4 24 B9R1.35 CC(=O)N1CCC(N)C1 Z2206 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.40 CC1(C)CCCCC1=O X4695 [0,0,0,1,0,0|1,0,1]=3 26 B9R1.40 CC1(C)CNCCC1=O 7548AA [0,0,0,1,0,0|2,0,1]=4 27 B9R1.69 C[C@H]1CN(C)C(=O)CN1 1465AA [0,0,0,1,0,0|3,0,0]=4 28 B9R1.95 CCC1CC(C(=O)O)C1 2418AL [0,0,0,1,0,0|2,0,1]=4 29 B9R1.110 O=C(O)C(=O)C1CCC1 W3036 [0,0,0,1,0,0|1,0,0]=2 30 B9R1.163 CC(=O)C1(O)CCCC1 8824AA [0,0,0,1,0,0|0,0,2]=3 31 B9R0.4 CCCCC(C)CC(=O)O 7656AB [0,0,0,0,0,1|2,0,1]=4 32 B6R0.1 CCCC(=O)OC 8838AJ [2,0,0,0,0,0|1,0,0]=3 33 B6R0.4 CC(C)=CCCO 1893AC [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 CCCC[Sn](=O)O 8518AL [2,0,0,0,0,0|1,0,1]=4 35 B6R0.6 COCCCC=O Y8222 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.1 CCOC(=O)CCCCl X7914 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.1 CCOCC(=O)OCC X4417 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.3 COC(=O)[C@@H](N)CCBr 3496AL [1,1,0,0,0,0|2,0,0]=4 39 B8R0.9 COC(=O)CCN(C)C 4989AB [1,1,0,0,0,0|2,0,0]=4 40 B8R0.19 COC(=O)CC(O)CCl 1082AA [1,1,0,0,0,0|2,0,0]=4 41 B8R0.7 CC(=O)OCCOCCl 5472AB [1,1,0,0,0,0|2,0,0]=4 42 B8R0.7 CCCCC#CC(=O)O 5639AL [1,1,0,0,0,0|1,0,1]=4 43 B8R0.28 C=C(C)CCCC(C)C 5416AL [1,1,0,0,0,0|1,0,1]=4 44 B8R0.28 C\C(Br)=C/CCC(C)C 4781AJ [1,1,0,0,0,0|1,0,0]=3 45 B8R0.2 CCC(Br)C(=O)N(C)C 2371AE [1,1,0,0,0,0|2,0,0]=4 46 B8R0.23 CC(C)CC(=O)C(C)C 5375AL [1,1,0,0,0,0|1,0,1]=4 47 B10R0.44 COC(=O)CC(=O)CC(C)=O 3050AB [0,1,0,0,0,1|1,0,1]=4 48 B10R0.19 CCOC(=O)C(=O)CCC#N 4746AD [0,2,0,0,0,0|1,0,1]=4 49 B10R0.124 CCCCC(F)(F)C(=O)OC 7040AB [0,2,0,0,0,0|1,0,1]=4 50 B10R0.98 O=C(O)CCCC(=O)C(=O)O 0052AQ [0,2,0,0,0,0|1,0,1]=4 51 B8R1.1 CCN1CCC(=O)C1 0571AA [1,0,0,1,0,0|1,0,1]=4 52 B8R1.2 BrC=C1CCCCC1 0651AQ [1,0,0,1,0,0|2,0,0]=4 53 B8R1.3 CC1COC(=O)OC1 3991AC [1,0,0,1,0,0|2,0,0]=4 54 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [1,0,0,1,0,0|2,0,0]=4 55 B8R1.5 NC1CCCCC1=O Y8332 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.5 O=C1CCCC=C1I 2099AL [1,0,0,1,0,0|1,0,1]=4 57 B8R1.5 O=C1CCCCC1F Z5041 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.5 O=C1NCCOC1=O 3605AL [1,0,0,1,0,0|2,0,0]=4 59 B8R1.22 O=C1COCCCN1 1535AL [1,0,0,1,0,0|2,0,0]=4 60 B8R1.38 CNC(=O)C1CCC1 4798AA [1,0,0,1,0,0|1,0,0]=3 61 B8R1.4 CC1CCCC(=O)N1 6454AJ [1,0,0,1,0,0|1,0,1]=4 62 B8R1.4 CC1CCNC(=O)N1 V4468 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.4 CN1CCC=C(Br)C1 1699AE [1,0,0,1,0,0|2,0,0]=4 64 B8R1.4 NC1CCNC(=O)C1 X9664 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.7 CC(=O)[C@@H]1CCCO1 5805AA [1,0,0,1,0,0|1,0,1]=4 66 B8R1.7 CC(=O)[C@H]1CCCO1 0229AC [1,0,0,1,0,0|1,0,1]=4 67 B8R1.7 NC(=O)N1CCCC1 4081AE [1,0,0,1,0,0|2,0,0]=4 68 B8R1.31 CC1CCC1C(=O)O 5817AB [1,0,0,1,0,0|1,0,1]=4 69 B8R1.34 CC(=O)C=C1CCC1 0333AC [1,0,0,1,0,0|0,0,1]=3 70 B10R1.61 CC(=O)N1CCCCC1=O W5499 [0,0,0,1,0,1|0,0,0]=2 71 B10R1.61 NC(=O)C1CCCCC1=O 1458AB [0,0,0,1,0,1|1,0,0]=3 72 B10R1.61 NC(=O)C1CNCCC1=O 7989AD [0,0,0,1,0,1|2,0,0]=4 73 B10R1.61 O=C(O)C1CNCCC1=O 1103AB [0,0,0,1,0,1|2,0,0]=4 74 B10R1.23 C[C@H](O)C(=O)N1CCCC1 4218AA [0,1,0,1,0,0|0,0,2]=4 75 B10R1.147 CC1=CC(C)(C)CCC1=O 1885AL [0,1,0,1,0,0|1,0,0]=3 76 B10R1.14 COC(=O)C1=CC(Br)CC1 6388AC [0,1,0,1,0,0|2,0,0]=4 77 B10R1.15 COC(=O)[C@@H]1CCCCN1 5103AC [0,1,0,1,0,0|1,0,1]=4 78 B10R1.15 O=C(CBr)N1CCCCC1 9420AA [0,1,0,1,0,0|2,0,0]=4 79 B10R1.182 COC(=O)[C@@H](N)C1CCC1 4095AA [0,1,0,1,0,0|1,0,1]=4 80 B10R1.182 COC(=O)[C@H](N)C1CCC1 4748AA [0,1,0,1,0,0|1,0,1]=4 81 B10R1.411 COC(=O)C1(C)CCCC1 4021AE [0,1,0,1,0,0|1,0,1]=4 82 B10R1.348 CC(=O)N1CCCNCC1 0843AD [0,1,0,1,0,0|2,0,0]=4 83 B10R2.15 O=C1CCCCC12CC2 4501AJ [0,0,0,2,0,0|1,0,1]=4