0 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.2 CCC(N)CC(=O)O BB31-5235 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.7 CCOC(=O)\C=C\I BB32-1414 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.34 CCOC(=O)CC(=N)NO BB31-6339 [0,1,0,0,0,0|1,0,1]=3 7 B9R0.53 CC(Cl)OC(=O)OC(C)Cl BB31-6097 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.7 CCCC1=NNC(=O)C1 BB52-7288 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.13 CC(=O)OC1CCCO1 BB31-3264 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.22 CCC1NC(=O)NC1=O BB31-6009 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.48 O=C1CCCNC(=O)C1 BB31-4559 [0,0,0,1,0,0|1,0,0]=2 12 B9R1.75 CCOC(=O)C=C1CC1 BB31-6895 [0,0,0,1,0,0|1,0,1]=3 13 B9R0.48 CCOC(=O)OCC(C)C BB31-5205 [0,0,0,0,0,1|1,0,1]=3 14 B9R0.48 CCOC(=O)\C=C\C(C)=O BB31-0204 [0,0,0,0,0,1|0,0,1]=2 15 B6R0.1 C#CCC(=O)OC BB32-1580 [2,0,0,0,0,0|0,0,2]=4 16 B6R0.1 CCCC(=O)CCl BB31-4027 [2,0,0,0,0,0|1,0,1]=4 17 B6R0.4 CC(=O)CCCBr BB31-6000 [2,0,0,0,0,0|1,0,1]=4 18 B6R0.4 COCOC(C)=O BB32-2824 [2,0,0,0,0,0|1,0,1]=4 19 B8R0.2 COC(=O)C(C)C(C)=O BB32-0377 [1,1,0,0,0,0|0,0,0]=2 20 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O BB31-5226 [1,1,0,0,0,0|0,0,2]=4 21 B8R0.19 CC[C@H](O)CC(=O)OC BB31-5331 [1,1,0,0,0,0|0,0,2]=4 22 B8R0.24 CNC(=O)CS(C)(=O)=O BB31-1770 [1,1,0,0,0,0|2,0,0]=4 23 B8R0.24 COC(=O)CC(C)(C)O BB32-3552 [1,1,0,0,0,0|0,0,2]=4 24 B8R0.6 CCNCCC(=O)OC BB31-6215 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [1,1,0,0,0,0|1,0,1]=4 26 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [1,1,0,0,0,0|0,0,2]=4 27 B8R0.3 CCOC(=O)[C@@H](C)OC BB31-7778 [1,1,0,0,0,0|1,0,0]=3 28 B10R0.18 C#CCCC(=O)CC(=O)OC BB31-0074 [0,2,0,0,0,0|1,0,1]=4 29 B10R0.18 CCOCC(=O)CC(=O)OC BB32-1709 [0,2,0,0,0,0|0,0,0]=2 30 B10R0.100 CCOC(=O)C(C)S(C)(=O)=O BB32-3832 [0,2,0,0,0,0|1,0,0]=3 31 B10R0.101 CCOC(=O)\C(C#N)=C(\C)O BB32-3938 [0,2,0,0,0,0|0,0,2]=4 32 B10R0.2 CCOC(=O)NC(=O)OCC BB32-0619 [0,2,0,0,0,0|1,0,0]=3 33 B10R0.31 CC(=O)CC(=O)SC(C)(C)C BB31-3056 [0,2,0,0,0,0|0,1,0]=3 34 B10R0.31 CN(N)CC(=O)OC(C)(C)C BB31-6296 [0,2,0,0,0,0|2,0,0]=4 35 B8R1.1 COC1=CC(=O)CC1 BB31-5801 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [1,0,0,1,0,0|0,0,2]=4 39 B8R1.40 COC(=O)CC1CC1 BB32-1998 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.51 CC1(C)COC(=O)C1 BB31-2397 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.22 O=C1CCCCNC1 BB32-3316 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.22 O=C1CCCOCC1 BB32-3102 [1,0,0,1,0,0|0,0,1]=3 44 B10R1.64 O=C(O)CN1CCCC1=O BB52-8573 [0,0,0,1,0,1|2,0,0]=4 45 B10R1.113 CC(=O)N1CCNC(=O)C1 BB31-3650 [0,0,0,1,0,1|1,0,0]=3 46 B10R1.211 O=C(O)CNC(=O)C1CC1 BB32-3441 [0,0,0,1,0,1|2,0,0]=4 47 B10R1.400 CCOC(=O)C1NC1(C)C BB31-8618 [0,0,0,1,0,1|1,0,1]=4 48 B10R1.61 CC(=O)N1CCCCC1=O BB32-1384 [0,1,0,1,0,0|2,0,0]=4 49 B10R1.135 CCOC(=O)C1CC1C#N BB32-3111 [0,1,0,1,0,0|1,0,1]=4 50 B10R1.137 CCOC(=O)C=C1CSC1 BB32-0291 [0,1,0,1,0,0|0,1,1]=4 51 B10R1.137 CCOC(=O)CC1CCC1 BB32-1564 [0,1,0,1,0,0|1,0,1]=4 52 B10R1.137 CCOC(=O)CC1COC1 BB31-9281 [0,1,0,1,0,0|0,0,2]=4 53 B10R1.149 COC(=O)C1OCCC1=O BB31-7530 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.329 CC1(C)CC(=O)CC(=O)N1 BB31-5053 [0,1,0,1,0,0|1,0,0]=3 55 B10R0.3 C=C(C)CCCC(=O)OCC BB32-1627 [0,0,0,0,0,2|1,0,0]=3 56 B10R0.3 CCCC(=O)CCCC(=O)O BB31-4914 [0,0,0,0,0,2|2,0,0]=4 57 B10R0.3 CCOC(=O)\C=C\CN(C)C BB31-9011 [0,0,0,0,0,2|2,0,0]=4