0 B6R0.6 CCCCCCC F1908-0180 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 CCCCN=C=S F1915-0013 [0,0,0,0,0,0|2,1,1]=4 2 B6R0.6 CCNCCNC F2147-1525 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 CC\C=C\CCO F0001-2233 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 OCCCCCO F0001-0238 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 C#CCCCI F8885-4128 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.2 CCCCC#N F0001-0220 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.2 CCCCC=O F2190-0583 [1,0,0,0,0,0|0,0,2]=3 8 B5R0.2 CCCCCO F0001-1831 [1,0,0,0,0,0|0,0,0]=1 9 B5R0.2 CCCCNN F2169-0384 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.2 CCOCCCl F0001-1693 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.2 CCSCCN F2147-1017 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.2 CNCCOC F0001-1089 [1,0,0,0,0,0|1,1,0]=3 13 B5R0.2 ICCCCI F0001-1692 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.2 N#CCCCBr F0001-1378 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.1 C=CCCCCCCl F0001-2234 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.1 CCCCCCCC F0001-0244 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.1 CCCCCCCN F9995-1631 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.1 CCCCCCCO F0001-0245 [0,1,0,0,0,0|1,0,0]=2 19 B7R0.1 CCNCCNCC F8889-7850 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.1 ClCCCCCCBr F0001-1706 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.1 ICCCCCCI F0001-1700 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.1 OCCCCCCO F0001-1701 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.4 C=CCCCC(=O)O F1913-3310 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.4 CCCCCB(O)O F0001-1263 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.4 CCCCCC(=O)Cl F0001-0498 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.4 CCCCCC(C)N F0001-0370 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.4 CN(C)CCCCN F2187-2324 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.4 CNCCNC(C)C F2147-1526 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.4 COCCNC(C)C F1911-1783 [0,1,0,0,0,0|2,1,0]=4 30 B7R1.1 COC1CCNC1 F8881-0669 [0,0,0,1,0,0|2,1,0]=4 31 B7R1.3 IC1CCCCC1 F2190-0186 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.3 NC1CCOCC1 F0001-1086 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.4 CC1CCCC1=O F9995-1299 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.6 CNCC1CCC1 F2148-2252 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.24 C1CNCCOC1 F2148-0116 [0,0,0,1,0,0|2,0,0]=3 36 B4R0.2 CCCCCl F0001-0200 [2,0,0,0,0,0|1,0,0]=3 37 B4R0.2 CSCCN F2191-0292 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.1 COC(C)CCO F0001-0848 [1,1,0,0,0,0|0,1,0]=3 39 B6R0.4 CC(C)NCCN F2187-0287 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.4 CCCCB(O)O F0001-1206 [1,1,0,0,0,0|1,0,0]=3 41 B6R0.4 CNCCN(C)C F0001-0495 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.4 CSCCC(C)=O F0001-0996 [1,1,0,0,0,0|0,0,1]=3 43 B8R0.4 CCCCCCCCI F0001-1702 [0,2,0,0,0,0|2,0,0]=4 44 B8R0.7 NCCCCCC(=O)O F2191-0201 [0,2,0,0,0,0|1,0,1]=4 45 B8R0.11 CCCCC(CC)CBr F0001-0679 [0,2,0,0,0,0|2,0,0]=4 46 B8R0.25 CC(C)(CO)CCCN F1913-3077 [0,2,0,0,0,0|2,0,0]=4 47 B6R1.1 C1CCOCC1 F0001-0499 [1,0,0,1,0,0|0,0,0]=2 48 B6R1.2 CC1CCNC1 F8887-6193 [1,0,0,1,0,0|1,0,0]=3 49 B6R1.2 IC1CCCC1 F0001-0550 [1,0,0,1,0,0|1,0,0]=3 50 B6R1.3 CNCC1CC1 F2158-1936 [1,0,0,1,0,0|1,0,0]=3 51 B6R1.6 NNC1CCC1 F2135-1119 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.2 BrCC1CCCCO1 F1909-1580 [0,1,0,1,0,0|1,0,0]=3 53 B8R1.2 COC1CCCNC1 F2158-0941 [0,1,0,1,0,0|1,0,0]=3 54 B8R1.2 COC1CCNCC1 F0001-1147 [0,1,0,1,0,0|1,1,0]=4 55 B8R1.2 COC1CCNCC1 F2158-0858 [0,1,0,1,0,0|1,1,0]=4 56 B8R1.2 CSC1=NCCCN1 F2147-0307 [0,1,0,1,0,0|1,0,1]=4 57 B8R1.2 FCC1CCCNC1 F2148-2174 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.2 ON=C1CCCCC1 F1723-0300 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.8 COCC1CCNC1 F1907-0846 [0,1,0,1,0,0|1,0,0]=3 60 B8R1.8 NCCN1CCCC1 F2187-2176 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.11 CCC1CCCC1=O F8889-4518 [0,1,0,1,0,0|1,0,1]=4 62 B8R1.11 CN1CCCC1CO F8889-8364 [0,1,0,1,0,0|1,0,0]=3 63 B8R1.1 CN1CCC(CO)C1 F2147-0775 [0,1,0,1,0,0|1,0,0]=3 64 B8R1.1 O=C1CC[C@H](CO)N1 F9995-1839 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.3 C[C@H]1CC[C@H](N)CC1 F0001-0986 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.4 CC1CCCC(C)N1 F2190-0336 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.4 NC1CCCC(O)C1 F2147-2237 [0,1,0,1,0,0|1,0,0]=3 68 B8R1.7 O=C(O)C1CCNC1 F0001-1559 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.34 O=C(O)CC1CCC1 F8889-2823 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.72 CC1(C)CNCCO1 F2148-0112 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.72 FC1(F)CCCNC1 F2148-2178 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.72 O=S1(=O)CCCCO1 F0001-0588 [0,1,0,1,0,0|1,0,1]=4 73 B8R2.25 C1CC2OC2CO1 F8889-2237 [0,0,0,2,0,0|0,1,0]=3