0 B7R0.1 CCCCOCCN BB53-1642 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 CCCSCCN BB53-1582 [1,0,0,0,0,0|1,1,0]=3 3 B6R0.6 CCSCCNC BB12-0971 [1,0,0,0,0,0|1,1,0]=3 4 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.2 CNC1CCCCC1 BB53-1677 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.2 COC1CCCNC1 BB12-3161 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.2 NCC1COCCO1 BB01-4608 [0,0,0,1,0,0|1,0,0]=2 8 B8R1.2 OCC1CCCCC1 BB20-4574 [0,0,0,1,0,0|1,0,0]=2 9 B8R1.2 OCC1CCCCN1 BB56-1322 [0,0,0,1,0,0|1,0,0]=2 10 B8R1.2 OCC1CCCOC1 BB12-1755 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.2 ON=C1CCCCC1 BB12-1685 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.2 [C-]#[N+]C1CCCCC1 BB56-1202 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.5 O=C1CCOCC1O BB17-2979 [0,0,0,1,0,0|1,0,1]=3 14 B8R1.8 CCCC1CCCN1 BB56-1742 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.8 CNCC1CCCC1 BB12-1620 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.8 COCC1CCCN1 BB56-0037 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.8 CSCC1CCCN1 BB56-0633 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.8 NCCC1CCCC1 BB12-2130 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.8 NCCC1CCCN1 BB20-3166 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.11 CCC1CCCC1=O BB12-2911 [0,0,0,1,0,0|1,0,2]=4 21 B8R1.11 CN1CCCC1CBr BB12-3093 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.11 CN1CCCC1CO BB12-1660 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.22 CC1CCCCCN1 BB12-3099 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.22 CC1CCCNCC1 BB12-1445 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,0,0,1,0,0|2,0,1]=4 26 B5R0.2 CCSCCN BB53-1545 [2,0,0,0,0,0|1,1,0]=4 27 B5R0.2 [C-]#[N+]CCCC BB56-0718 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.2 [C-]#[N+]CCOC BB56-1837 [2,0,0,0,0,0|1,0,1]=4 29 B7R0.3 CCCCC(N)CO BB56-2048 [1,1,0,0,0,0|0,0,0]=2 30 B7R0.3 CCN(C)CCCN BB12-1555 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.3 CCN(C)CCCO BB12-3254 [1,1,0,0,0,0|1,0,0]=3 32 B7R0.3 CSCCC(N)CO BB56-2047 [1,1,0,0,0,0|1,0,0]=3 33 B7R0.4 CC(=O)NCCCO BB12-3384 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.4 CC(C)CCCCO BB12-2305 [1,1,0,0,0,0|0,0,0]=2 35 B7R0.4 CCCSCC(=O)O BB12-3263 [1,1,0,0,0,0|0,1,1]=4 36 B7R0.4 CCSCCC(=O)O BB12-3270 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.7 CCNC(C)CCO BB12-1398 [1,1,0,0,0,0|1,0,0]=3 38 B7R0.7 CCOC(=N)CCCl BB12-2325 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.7 CCOC(=O)CCO BB12-1446 [1,1,0,0,0,0|1,0,1]=4 40 B9R0.45 CCCCCC#CCCO BB12-2262 [0,2,0,0,0,0|1,0,0]=3 41 B7R1.1 CNC1CCCC1 BB53-1678 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.3 NC1CCCOC1 BB12-2177 [1,0,0,1,0,0|1,0,0]=3 43 B7R1.3 OC1CCOCC1 BB12-1171 [1,0,0,1,0,0|1,0,0]=3 44 B7R1.3 OC1CCSCC1 BB53-1540 [1,0,0,1,0,0|1,0,0]=3 45 B7R1.6 CNCC1CCC1 BB12-1623 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.24 C1CNCCNC1 BB12-2760 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.8 CNCC1CCCCO1 BB12-3612 [0,1,0,1,0,0|1,0,0]=3 48 B9R1.8 CNCC1CCCNC1 BB53-1684 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.8 COCC1CCCCN1 BB56-0722 [0,1,0,1,0,0|1,0,0]=3 50 B9R1.8 COCC1CCCNC1 BB53-1686 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.8 CSCC1CCCCN1 BB56-1708 [0,1,0,1,0,0|1,1,0]=4 52 B9R1.8 CSCC1CCCNC1 BB12-1129 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.8 ClCCN1CCNCC1 BB12-1507 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.8 N#CCC1CCCOC1 BB12-1754 [0,1,0,1,0,0|1,0,1]=4 55 B9R1.8 NCCC1CCCNC1 BB12-2059 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.12 CCCCC1CCCN1 BB56-0702 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.12 CCCCC1CCNC1 BB56-1976 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.12 N#CCCN1CCCC1 BB12-1292 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.12 [C-]#[N+]CCN1CCCC1 BB56-1671 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.15 CC1CCCC\C1=N\O BB12-1622 [0,1,0,1,0,0|1,0,1]=4 61 B9R1.15 CN1CCCCC1CBr BB12-3106 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.15 CN1CCCCC1CN BB53-1653 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.50 O=C1CCCCCCC1 BB12-2910 [0,1,0,1,0,0|1,0,1]=4 64 B9R1.14 CCN1CCCC1CBr BB12-2883 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.14 CCN1CCCC1CO BB12-1536 [0,1,0,1,0,0|1,0,0]=3 66 B9R1.89 CCC1CCCNCC1 BB12-1654 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.89 [C-]#[N+]C1CCCCCC1 BB56-1665 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.1 CN1CCC(CO)CC1 BB12-1540 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.11 CC(CCl)N1CCCC1 BB12-3604 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.11 CC(CN)N1CCCC1 BB53-1894 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.11 CCC(C)C1CCCN1 BB56-0692 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.6 CC(C)C1CCCCN1 BB56-1716 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.13 CC(C)CC1CCCN1 BB56-0309 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.13 O=C(O)CN1CCCC1 BB12-2458 [0,1,0,1,0,0|1,0,1]=4 75 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [0,1,0,1,0,0|1,0,1]=4 76 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [0,1,0,1,0,0|0,1,1]=4