0 B8R0.6 C=CC(=O)OCCCC 21089 [1,0,0,0,0,0|0,0,2]=3 1 B8R0.6 CCCSCC(=O)OC 28955 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.6 COC(=O)CCCCN 31883 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.7 CCCCCCC(C)O 21480 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.7 CCCCCC[C@@H](C)N 6754 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.7 CCCCCC[C@@H](C)O 6072 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.7 CCCCCC[C@H](C)N 6748 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.7 CCCCCC[C@H](C)O 17259 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.7 CCCCCC[C@H](C)O 6073 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.28 CC(=O)CCC=C(C)C 35423 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.28 CC(C)CCCC(=O)O 36049 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.28 CN(C)CCCC(=O)O 35953 [1,0,0,0,0,0|3,0,0]=4 12 B10R0.3 CCOC(=O)CCCC(C)=O 27277 [0,1,0,0,0,0|2,0,1]=4 13 B10R0.65 CCC(C)(O)CCCC(C)C 35062 [0,1,0,0,0,0|1,0,2]=4 14 B10R1.13 CC(C)N1CCC(=O)CC1 8897 [0,0,0,1,0,0|2,0,0]=3 15 B7R0.1 CCCC\C=C\CO 18918 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.4 CC(=O)CCCCCl 29051 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.4 CC(C)CCCCBr 35107 [2,0,0,0,0,0|1,0,1]=4 18 B7R0.4 CCCCCC(=O)Cl 21359 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.4 CCCCCC(C)O 3094 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.4 CCCCC[C@@H](C)O 6739 [2,0,0,0,0,0|1,0,1]=4 21 B7R0.4 CCCCC[C@H](C)O 6736 [2,0,0,0,0,0|1,0,1]=4 22 B7R0.4 CCC\C=C\C(C)=O 18920 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.4 COCCOC(=O)Cl 12774 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.5 CCCCCC(=O)OCC 15737 [1,1,0,0,0,0|1,0,0]=3 25 B9R0.5 CCOC(=O)CCCCBr 3955 [1,1,0,0,0,0|2,0,0]=4 26 B9R0.5 CCOC(=O)CCCCN 31885 [1,1,0,0,0,0|2,0,0]=4 27 B9R0.46 COC(=O)CCCCCBr 16910 [1,1,0,0,0,0|2,0,0]=4 28 B9R0.47 C=C(F)C(=O)OCCCC 32379 [1,1,0,0,0,0|0,0,2]=4 29 B9R0.2 CC(C)CCCCCCBr 18956 [1,1,0,0,0,0|1,0,1]=4 30 B9R0.7 CC(C)CC[C@@H](N)C(=O)O 29929 [1,1,0,0,0,0|2,0,0]=4 31 B9R0.7 CC(C)CC[C@H](N)C(=O)O 29928 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.53 CC(C)C[C@H](N)CC(=O)O 25245 [1,1,0,0,0,0|2,0,0]=4 33 B9R0.53 CC(C)C[C@H](N)CC(=O)O 30107 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.56 CC(=O)OCC[N+](C)(C)C 30313 [1,1,0,0,0,0|1,0,0]=3 35 B9R0.23 CCC(=O)C(C)CN(C)C 44881 [0,1,0,0,1,0|1,0,0]=3 36 B9R0.23 COC(=O)[C@@H](N)CC(C)C 10892 [0,1,0,0,1,0|1,0,0]=3 37 B9R0.23 COC(=O)[C@H](N)CC(C)C 10893 [0,1,0,0,1,0|1,0,0]=3 38 B9R1.1 CCN1CCC(=O)CC1 6784 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.1 O=C1CCC(CO)CC1 20341 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.5 CN1CCCCCC1=O 36383 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.5 NC1CCCCNC1=O 20137 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.5 N[C@@H]1CCCCNC1=O 30434 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.5 N[C@H]1CCCCNC1=O 14097 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.11 NCC(=O)N1CCCC1 26419 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.49 CN1CCCC(=O)CC1 2442 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.49 CN1CCCC(=O)CC1 2443 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.6 CC(C)[C@@H]1COCCN1 11415 [1,0,0,1,0,0|1,0,1]=4 48 B9R1.6 CC(C)[C@@H]1COCCN1 21103 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.6 CC(C)[C@H]1COCCN1 11416 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.35 CC(C)[C@@H]1COC(=O)N1 8176 [1,0,0,1,0,0|1,0,0]=3 51 B9R1.35 CC(C)[C@H]1COC(=O)N1 2450 [1,0,0,1,0,0|1,0,0]=3 52 B9R1.66 CC1(C)CC(=O)CCO1 24423 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.66 CC1(C)CCCC(=O)C1 27316 [1,0,0,1,0,0|1,0,0]=3 54 B9R1.10 CC1(C)C=CC(=O)CC1 17152 [0,0,0,1,1,0|0,0,2]=4 55 B9R1.10 CC1(C)CCC(=O)CC1 30356 [0,0,0,1,1,0|0,0,0]=2 56 B9R1.10 CC1(C)CCC(N)CC1 17658 [0,0,0,1,1,0|1,0,1]=4 57 B9R1.10 O=C1CCC(F)(F)CC1 29382 [0,0,0,1,1,0|2,0,0]=4 58 B9R1.69 CC1CN(C)CCC1=O 14069 [0,0,0,1,1,0|1,0,0]=3 59 B9R1.138 CC1(C)COC(=O)C1=O 36010 [0,0,0,1,1,0|1,0,1]=4 60 B9R1.138 CC1(C)COC(=O)[C@@H]1O 35059 [0,0,0,1,1,0|1,0,0]=3 61 B9R1.138 CC1(C)COC(=O)[C@H]1O 15870 [0,0,0,1,1,0|1,0,0]=3 62 B11R1.19 CC(C)(C)C1CCC(=O)CC1 26440 [0,1,0,1,0,0|1,0,0]=3 63 B11R2.533 CC1=CCC2C[C@H]1C2(C)C 18155 [0,0,0,2,0,0|2,0,0]=4 64 B7R0.6 C=C(C)CCC(C)=O 25282 [1,0,0,0,1,0|0,0,2]=4 65 B7R0.6 CC(C)CCC(=O)Cl 20015 [1,0,0,0,1,0|1,0,0]=3 66 B7R0.6 CC(C)CO[N+](=O)[O-] 28953 [1,0,0,0,1,0|2,0,0]=4 67 B7R0.6 C[S+](C)CCC(=O)O 35248 [1,0,0,0,1,0|2,0,0]=4 68 B7R0.2 CC(C)NC(=O)CBr 17628 [0,0,0,0,2,0|2,0,0]=4 69 B7R0.2 CCC(=O)CC(C)=O 24813 [0,0,0,0,2,0|1,0,1]=4 70 B7R0.2 COC(=O)C[C@@H](C)O 13967 [0,0,0,0,2,0|2,0,0]=4 71 B7R0.2 COC(=O)C[C@H](C)O 13965 [0,0,0,0,2,0|2,0,0]=4