0 B7R0.4 CC(=O)NCCCO BB12-3384 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.4 CC(C)CCCCO BB12-2305 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 CCCSCC(=O)O BB12-3263 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.4 CCSCCC(=O)O BB12-3270 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.4 NC(=O)CSCCO BB53-1357 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.4 CCNCC(C)O BB12-1676 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 CCSCC(=O)O BB12-3264 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.4 CNCCC(=O)O BB12-1452 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 COCCC(=O)Cl BB20-1617 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.4 CSCCC(=N)N BB12-3715 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.6 CCSCCNC BB12-0971 [1,0,0,0,0,0|1,1,1]=4 11 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.6 CCNCCC(=O)NN BB12-1383 [0,1,0,0,0,0|3,0,0]=4 13 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.21 CS(=O)(=O)NCCCN BB12-2137 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,1,0,0,0,0|3,0,0]=4 18 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.22 CC1CCCCCN1 BB12-3099 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,0,0,1,0,0|2,0,0]=3 21 B5R0.1 CCOC(C)=N BB12-3674 [2,0,0,0,0,0|1,0,0]=3 22 B5R0.1 CNCC(C)=O BB12-3010 [2,0,0,0,0,0|1,0,0]=3 23 B5R0.2 [C-]#[N+]CCCC BB56-0718 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.2 [C-]#[N+]CCOC BB56-1837 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.2 CCN(C)CC(=O)O BB12-1321 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.2 CCN(C)CC(C)=O BB12-2316 [1,1,0,0,0,0|1,0,0]=3 27 B7R0.2 CNC(C)CC(=O)O BB12-1285 [1,1,0,0,0,0|2,0,0]=4 28 B7R0.3 CCC(=O)NCCN BB12-2323 [1,1,0,0,0,0|2,0,0]=4 29 B7R0.3 CCCCC(=O)NN BB12-2550 [1,1,0,0,0,0|1,0,0]=3 30 B7R0.3 CCCCC(N)CO BB56-2048 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.3 CNCCC(=O)NC BB12-1428 [1,1,0,0,0,0|1,0,0]=3 33 B7R0.3 COCCC(=O)NN BB20-4502 [1,1,0,0,0,0|2,0,0]=4 34 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.6 C=C(C)COC(C)=O BB12-2984 [1,1,0,0,0,0|0,0,1]=3 37 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.6 CC(C)SCC(=O)O BB12-3365 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.1 CCCCOCCN BB53-1642 [1,1,0,0,0,0|0,0,1]=3 40 B9R0.34 COCC(C)NC(=O)CCl BB17-2020 [0,2,0,0,0,0|2,0,0]=4 41 B9R0.5 CCNCCC(=O)OCC BB12-1650 [0,2,0,0,0,0|2,0,0]=4 42 B9R0.5 N#CCC(=O)NCCCO BB17-1789 [0,2,0,0,0,0|2,0,0]=4 43 B9R0.46 CCCCCCC(=O)NN BB12-1542 [0,2,0,0,0,0|2,0,0]=4 44 B9R0.55 CC(=O)NCCNC(C)=O BB20-3038 [0,2,0,0,0,0|1,0,1]=4 45 B7R1.18 NC(=O)C1CCC1 BB12-3033 [1,0,0,1,0,0|1,0,0]=3 46 B7R1.1 CNC1CCCC1 BB53-1678 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.4 NC1CCNC1=O BB12-2184 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.6 CNCC1CCC1 BB12-1623 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.13 O=C(O)CN1CCCC1 BB12-2458 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.41 CN1CCCC1C(=O)O BB12-1652 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.137 CC(=O)CC(=O)C1CC1 BB12-3707 [0,1,0,1,0,0|1,0,1]=4 53 B9R1.11 CNC(=O)C1CCCC1 BB12-1626 [0,1,0,1,0,0|1,0,0]=3 54 B9R1.11 COC(=O)C1CCCC1 BB12-2996 [0,1,0,1,0,0|1,0,0]=3 55 B9R1.11 NNC(=O)C1CCCC1 BB12-2640 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.49 CN1CCCC(=O)CC1 BB12-1456 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.50 O=C1CCCCCCC1 BB12-2910 [0,1,0,1,0,0|1,0,0]=3 58 B9R1.6 CC(C)=C1CCNCC1 BB12-2924 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.6 NC(=O)C1CCCOC1 BB12-2057 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.6 O=C(O)C1CCNCC1 BB12-3027 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [0,1,0,1,0,0|1,1,0]=4 63 B9R1.163 NC1(C(=O)O)CCCC1 BB56-0255 [0,1,0,1,0,0|2,0,0]=4