0 B7R1.3 C=C1CCNCC1 F8888-3171 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 IC1CCCCC1 F2190-0186 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.3 NC1CCOCC1 F0001-1086 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.3 O=C1COCCN1 F8889-4140 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.1 C1=CCNCC1 F8889-0743 [1,0,0,0,0,0|1,0,2]=4 5 B6R1.1 C1CCOCC1 F0001-0499 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.2 BrCC1CCCCO1 F1909-1580 [0,1,0,0,0,0|2,0,0]=3 7 B8R1.2 COC1CCCNC1 F2158-0941 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.2 COC1CCNCC1 F0001-1147 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.2 COC1CCNCC1 F2158-0858 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.2 FCC1CCCNC1 F2148-2174 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.2 N#CC1CCNCC1 F2189-0074 [0,1,0,0,0,0|1,0,1]=3 12 B8R1.2 ON=C1CCCCC1 F1723-0300 [0,1,0,0,0,0|0,0,2]=3 13 B8R1.3 C[C@H]1CC[C@H](N)CC1 F0001-0986 [0,1,0,0,0,0|0,0,0]=1 14 B8R1.4 CC1CCCC(C)N1 F2190-0336 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.4 NC1CCCC(O)C1 F2147-2237 [0,1,0,0,0,0|0,0,0]=1 16 B8R1.5 CC1CCCNC1=O F1913-7611 [0,1,0,0,0,0|2,0,1]=4 17 B8R1.72 CC1(C)CNCCO1 F2148-0112 [0,1,0,0,0,0|3,0,0]=4 18 B8R1.72 CC1(C)COCCN1 F2148-0109 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.72 FC1(F)CCCNC1 F2148-2178 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.72 FC1(F)CCNCC1 F2158-0926 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.72 O=S1(=O)CCCCO1 F0001-0588 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.1 COC(C)CCO F0001-0848 [0,0,1,0,0,0|3,0,0]=4 23 B6R0.4 CC(C)NCCN F2187-0287 [0,0,1,0,0,0|3,0,0]=4 24 B6R0.4 CCCCB(O)O F0001-1206 [0,0,1,0,0,0|3,0,0]=4 25 B6R0.4 CNCCN(C)C F0001-0495 [0,0,1,0,0,0|3,0,0]=4 26 B6R0.4 CSCCC(C)=O F0001-0996 [0,0,1,0,0,0|2,0,1]=4 27 B6R0.6 CCCCCCC F1908-0180 [0,0,1,0,0,0|1,0,0]=2 28 B6R0.6 CCCCN=C=S F1915-0013 [0,0,1,0,0,0|2,0,1]=4 29 B6R0.6 CCNCCNC F2147-1525 [0,0,1,0,0,0|3,0,0]=4 30 B6R0.6 CC\C=C\CCO F0001-2233 [0,0,1,0,0,0|1,0,2]=4 31 B6R0.6 OCCCCCO F0001-0238 [0,0,1,0,0,0|2,0,0]=3 32 B8R2.25 C1CC2OC2CO1 F8889-2237 [0,0,0,1,0,0|2,0,0]=3 33 B6R1.2 CC1CCNC1 F8887-6193 [0,0,0,0,1,0|2,0,0]=3 34 B6R1.2 IC1CCCC1 F0001-0550 [0,0,0,0,1,0|1,0,0]=2 35 B8R1.22 O=C1CCNCCN1 F2158-1556 [0,0,0,0,0,1|2,0,1]=4 36 B8R1.22 O=C1CCNCCN1 F8880-3444 [0,0,0,0,0,1|2,0,1]=4 37 B8R1.22 O=C1CCOCCN1 F8881-7824 [0,0,0,0,0,1|2,0,1]=4 38 B8R1.22 O=C1CCSCCN1 F2147-1376 [0,0,0,0,0,1|2,0,1]=4 39 B5R0.1 COCC(C)N F2190-0371 [1,0,1,0,0,0|1,0,0]=3 40 B5R0.2 CCCCC#N F0001-0220 [1,0,1,0,0,0|0,0,2]=4 41 B5R0.2 CCCCC=O F2190-0583 [1,0,1,0,0,0|1,0,1]=4 42 B5R0.2 CCCCCO F0001-1831 [1,0,1,0,0,0|1,0,0]=3 43 B5R0.2 CCCCNN F2169-0384 [1,0,1,0,0,0|1,0,0]=3 44 B5R0.2 CCOCCCl F0001-1693 [1,0,1,0,0,0|2,0,0]=4 45 B5R0.2 CCSCCN F2147-1017 [1,0,1,0,0,0|1,0,0]=3 46 B5R0.2 CNCCOC F0001-1089 [1,0,1,0,0,0|2,0,0]=4 47 B5R0.2 ICCCCI F0001-1692 [1,0,1,0,0,0|2,0,0]=4 48 B7R0.2 CC(C)C[C@H](N)CO F1564-0029 [0,1,1,0,0,0|1,0,0]=3 49 B7R0.7 CCCC(=O)OCC F0001-0107 [0,1,1,0,0,0|1,0,1]=4 50 B7R0.4 CCCCCC(C)N F0001-0370 [0,1,1,0,0,0|0,0,0]=2 51 B7R0.4 CN(C)CCCCN F2187-2324 [0,1,1,0,0,0|2,0,0]=4 52 B7R0.4 CNCCNC(C)C F2147-1526 [0,1,1,0,0,0|2,0,0]=4 53 B7R0.4 COCCNC(C)C F1911-1783 [0,1,1,0,0,0|2,0,0]=4 54 B7R0.8 CCNCC(C)(C)C F8882-4714 [0,1,1,0,0,0|2,0,0]=4 55 B7R0.1 C=CCCCCCCl F0001-2234 [0,1,1,0,0,0|1,0,1]=4 56 B7R0.1 CCCCCCCC F0001-0244 [0,1,1,0,0,0|1,0,0]=3 57 B7R0.1 CCCCCCCN F9995-1631 [0,1,1,0,0,0|0,0,0]=2 58 B7R0.1 CCCCCCCO F0001-0245 [0,1,1,0,0,0|1,0,0]=3 59 B7R0.1 CCNCCNCC F8889-7850 [0,1,1,0,0,0|2,0,0]=4 60 B7R0.1 ClCCCCCCBr F0001-1706 [0,1,1,0,0,0|1,0,0]=3 61 B7R0.1 ICCCCCCI F0001-1700 [0,1,1,0,0,0|1,0,0]=3 62 B7R0.1 OCCCCCCO F0001-1701 [0,1,1,0,0,0|1,0,0]=3 63 B7R1.1 COC1CCNC1 F8881-0669 [0,1,0,0,1,0|2,0,0]=4 64 B7R1.4 CC1CCCC1=O F9995-1299 [0,1,0,0,1,0|1,0,1]=4 65 B7R1.14 CC1(C)CCCN1 F1905-0628 [0,1,0,0,1,0|2,0,0]=4 66 B9R1.6 CC(=O)C1CCCNC1 F9995-4139 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.6 CC(=O)C1CCNCC1 F2163-0196 [0,2,0,0,0,0|2,0,0]=4 68 B9R1.6 CC(=O)N1CCCCC1 F0808-1080 [0,2,0,0,0,0|2,0,0]=4 69 B9R1.6 CC(C)C1CCNCC1 F1905-0642 [0,2,0,0,0,0|2,0,0]=4 70 B9R1.6 CC(C)C1CCNCC1 F8887-6914 [0,2,0,0,0,0|2,0,0]=4 71 B9R1.6 CC(O)C1CCNCC1 F8880-7650 [0,2,0,0,0,0|2,0,0]=4 72 B9R1.6 CN(C)C1CCNCC1 F2158-0927 [0,2,0,0,0,0|1,0,0]=3 73 B9R1.6 NC(=O)C1CCCNC1 F2158-0898 [0,2,0,0,0,0|1,0,0]=3 74 B9R1.6 O=C(O)C1CCNCC1 F0001-1572 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.6 O=C(O)[C@H]1CCCNC1 F0001-2356 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.8 C#CCC1CCCCC1 F2147-2838 [0,2,0,0,0,0|1,0,0]=3 77 B9R1.8 CCCC1CCCCN1 F8881-6048 [0,2,0,0,0,0|2,0,0]=4 78 B9R1.8 COCC1CCNCC1 F2145-0240 [0,2,0,0,0,0|2,0,0]=4 79 B9R1.8 NCCN1CCCCC1 F2187-2168 [0,2,0,0,0,0|1,0,0]=3 80 B9R1.8 O=CCC1CCOCC1 F8888-1979 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.8 O=CNC1CCCCC1 F1984-0356 [0,2,0,0,0,0|0,0,0]=2 82 B9R1.118 C#CC1(O)CCCCC1 F8883-8239 [0,2,0,0,0,0|1,0,0]=3 83 B9R1.118 NCC1(O)CCCCC1 F2189-0867 [0,2,0,0,0,0|0,0,0]=2 84 B7R1.6 CNCC1CCC1 F2148-2252 [0,0,1,1,0,0|2,0,0]=4 85 B7R1.25 NCC1(O)CCC1 F8880-0858 [0,0,1,1,0,0|2,0,0]=4 86 B7R1.18 CC(=O)C1CCC1 F0001-0928 [0,0,1,1,0,0|1,0,1]=4 87 B7R1.18 NC(=O)C1CCC1 F1913-0022 [0,0,1,1,0,0|1,0,1]=4 88 B7R1.24 C1CNCCOC1 F2148-0116 [0,0,1,1,0,0|1,0,0]=3 89 B7R2.13 C1NCC2CC12 F2197-0058 [1,0,0,1,0,0|1,0,0]=3 90 B9R2.68 C1CC2COCC1N2 F2196-0008 [0,0,0,1,0,1|0,0,0]=2 91 B9R2.174 C1CC2(CCN1)CC2 F1905-0657 [0,1,0,1,0,0|2,0,0]=4 92 B5R1.2 FC1CNC1 F2148-2176 [0,0,0,0,2,0|2,0,0]=4