0 B6R1.1 C1=CCONC1 BB12-1719 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 NC1CCCOC1 BB12-2177 [0,1,0,0,0,0|2,0,0]=3 2 B7R1.3 OC1CCOCC1 BB12-1171 [0,1,0,0,0,0|2,0,0]=3 3 B7R1.3 OC1CCSCC1 BB53-1540 [0,1,0,0,0,0|2,0,0]=3 4 B5R0.2 CCSCCN BB53-1545 [0,0,1,0,0,0|1,0,0]=2 5 B5R0.2 CSCCC#N BB12-3714 [0,0,1,0,0,0|3,0,0]=4 6 B5R0.2 [C-]#[N+]CCCC BB56-0718 [0,0,1,0,0,0|1,0,2]=4 7 B5R0.2 [C-]#[N+]CCOC BB56-1837 [0,0,1,0,0,0|1,0,2]=4 8 B7R1.24 C1CNCCNC1 BB12-2760 [0,0,0,0,0,1|0,0,0]=1 9 B4R0.2 CSCCCl BB53-1396 [1,0,1,0,0,0|2,0,0]=4 10 B4R0.2 CSCCN BB12-0970 [1,0,1,0,0,0|1,0,0]=3 11 B6R0.1 CC(CN)CCN BB12-1906 [0,1,1,0,0,0|2,0,0]=4 12 B6R0.1 CCNC(=S)NN BB12-3098 [0,1,1,0,0,0|1,0,1]=4 13 B6R0.1 CCNC(C)CO BB12-1659 [0,1,1,0,0,0|1,0,0]=3 14 B6R0.1 CC[C@H](N)COC BB20-3253 [0,1,1,0,0,0|2,0,0]=4 15 B6R0.1 CNC(=O)CCN BB12-1715 [0,1,1,0,0,0|2,0,0]=4 16 B6R0.1 CNC(C)CCO BB12-1373 [0,1,1,0,0,0|2,0,0]=4 17 B6R0.1 CNCC(=O)NN BB12-1497 [0,1,1,0,0,0|1,0,1]=4 18 B6R0.1 COC(=O)CCN BB12-2761 [0,1,1,0,0,0|2,0,0]=4 19 B6R0.4 C=CCNC(C)C BB12-1319 [0,1,1,0,0,0|1,0,1]=4 20 B6R0.4 CC(C)SCCCl BB53-1373 [0,1,1,0,0,0|2,0,0]=4 21 B6R0.4 CC(C)SCCN BB53-1544 [0,1,1,0,0,0|1,0,0]=3 22 B6R0.4 CC(C)SCCO BB53-1392 [0,1,1,0,0,0|2,0,0]=4 23 B6R0.4 CCNCC(C)O BB12-1676 [0,1,1,0,0,0|1,0,0]=3 24 B6R0.4 CNCCC(=O)O BB12-1452 [0,1,1,0,0,0|2,0,0]=4 25 B6R0.4 [C-]#[N+]CCN(C)C BB56-1617 [0,1,1,0,0,0|0,0,2]=4 26 B6R0.6 CCCSCCN BB53-1582 [0,1,1,0,0,0|1,0,0]=3 27 B6R0.6 CCSCCNC BB12-0971 [0,1,1,0,0,0|1,0,0]=3 28 B6R1.2 OC1CNOC1 BB12-1709 [0,1,0,0,1,0|1,0,0]=3 29 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,1,0,0,1,0|0,0,0]=2 30 B8R1.22 CC1CCCCCN1 BB12-3099 [0,1,0,0,0,1|1,0,0]=3 31 B8R1.22 CC1CCCNCC1 BB12-1445 [0,1,0,0,0,1|1,0,0]=3 32 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,1,0,0,0,1|1,0,0]=3 33 B8R1.2 CNC1CCCCC1 BB53-1677 [0,2,0,0,0,0|2,0,0]=4 34 B8R1.2 CNC1CCOCC1 BB53-1688 [0,2,0,0,0,0|2,0,0]=4 35 B8R1.2 CNC1CCSCC1 BB53-1643 [0,2,0,0,0,0|2,0,0]=4 36 B8R1.2 COC1CCCNC1 BB12-3161 [0,2,0,0,0,0|1,0,0]=3 37 B8R1.2 COC1CCNCC1 BB12-3162 [0,2,0,0,0,0|1,0,0]=3 38 B8R1.2 NCC1COCCO1 BB01-4608 [0,2,0,0,0,0|2,0,0]=4 39 B8R1.2 OCC1CCCCC1 BB20-4574 [0,2,0,0,0,0|2,0,0]=4 40 B8R1.2 OCC1CCCCN1 BB56-1322 [0,2,0,0,0,0|1,0,0]=3 41 B8R1.2 OCC1CCCOC1 BB12-1755 [0,2,0,0,0,0|2,0,0]=4 42 B8R1.2 ON=C1CCCCC1 BB12-1685 [0,2,0,0,0,0|2,0,0]=4 43 B8R1.2 [C-]#[N+]C1CCCCC1 BB56-1202 [0,2,0,0,0,0|2,0,0]=4 44 B8R1.3 O=C1CCS(=O)CC1 BB53-1536 [0,2,0,0,0,0|2,0,0]=4 45 B8R1.4 CC1CNCC(C)N1 BB20-4583 [0,2,0,0,0,0|0,0,0]=2 46 B8R1.5 O=C1CCOCC1O BB17-2979 [0,2,0,0,0,0|2,0,0]=4 47 B8R1.72 CC1(C)CCCNC1 BB12-1606 [0,2,0,0,0,0|1,0,0]=3 48 B8R1.72 O=S1(=O)CCNCC1 BB12-1778 [0,2,0,0,0,0|1,0,0]=3 49 B6R1.6 NCC1CCC1 BB12-1679 [0,0,1,1,0,0|1,0,0]=3