0 B4R0.2 CSCCCl BB53-1396 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 CSCCN BB12-0970 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.1 [C-]#[N+]CC BB56-1802 [1,0,0,0,0,0|1,0,1]=3 3 B5R0.1 CCOC(C)=N BB12-3674 [0,1,0,0,0,0|2,0,1]=4 4 B5R0.1 CNCC(C)=O BB12-3010 [0,1,0,0,0,0|1,1,1]=4 5 B5R0.1 CNCC(C)O BB12-1288 [0,1,0,0,0,0|1,1,0]=3 6 B5R0.2 CCSCCN BB53-1545 [0,1,0,0,0,0|1,0,0]=2 7 B5R0.2 CSCCC#N BB12-3714 [0,1,0,0,0,0|1,0,1]=3 8 B5R0.2 [C-]#[N+]CCCC BB56-0718 [0,1,0,0,0,0|1,0,0]=2 9 B5R0.2 [C-]#[N+]CCOC BB56-1837 [0,1,0,0,0,0|2,0,0]=3 10 B5R0.3 CCC(C)NC BB53-1672 [0,1,0,0,0,0|2,0,0]=3 11 B5R0.3 CC\C(N)=N\O BB12-3467 [0,1,0,0,0,0|1,1,1]=4 12 B5R0.3 CNC(C)CO BB12-1570 [0,1,0,0,0,0|1,1,0]=3 13 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [0,1,0,0,0,0|2,0,0]=3 14 B5R1.2 O=C1CNC1 BB20-3400 [0,0,0,1,0,0|1,1,1]=4 15 B6R0.1 CC(CN)CCN BB12-1906 [0,2,0,0,0,0|1,0,0]=3 16 B6R0.1 CCC\C(N)=N\O BB10-0037 [0,2,0,0,0,0|0,1,1]=4 17 B6R0.1 CCNC(C)CO BB12-1659 [0,2,0,0,0,0|0,1,0]=3 18 B6R0.1 CC[C@H](N)COC BB20-3253 [0,2,0,0,0,0|0,1,0]=3 19 B6R0.1 CNC(=O)CCCl BB12-1619 [0,2,0,0,0,0|1,0,1]=4 20 B6R0.1 CNC(=O)CCN BB12-1715 [0,2,0,0,0,0|1,0,1]=4 21 B6R0.1 CNC(=O)CCO BB12-3660 [0,2,0,0,0,0|0,1,1]=4 22 B6R0.1 CNC(C)CCO BB12-1373 [0,2,0,0,0,0|0,1,0]=3 23 B6R0.1 COC(=O)CCN BB12-2761 [0,2,0,0,0,0|1,0,1]=4 24 B6R0.1 COC(=O)CCO BB12-1300 [0,2,0,0,0,0|0,1,1]=4 25 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,2,0,0,0,0|0,1,1]=4 26 B6R0.3 CC(CN)N(C)C BB12-3256 [0,2,0,0,0,0|2,0,0]=4 27 B6R0.4 C=CCNC(C)C BB12-1319 [0,2,0,0,0,0|1,0,1]=4 28 B6R0.4 CC(C)CN=C=O BB01-8145 [0,2,0,0,0,0|0,1,1]=4 29 B6R0.4 CC(C)SCCCl BB53-1373 [0,2,0,0,0,0|1,0,0]=3 30 B6R0.4 CC(C)SCCN BB53-1544 [0,2,0,0,0,0|1,0,0]=3 31 B6R0.4 CC(C)SCCO BB53-1392 [0,2,0,0,0,0|0,1,0]=3 32 B6R0.4 CCNCC(C)O BB12-1676 [0,2,0,0,0,0|0,1,0]=3 33 B6R0.4 CCSCC(=O)O BB12-3264 [0,2,0,0,0,0|0,1,1]=4 34 B6R0.4 CNCCC(=O)O BB12-1452 [0,2,0,0,0,0|0,1,1]=4 35 B6R0.4 COCCC(=O)Cl BB20-1617 [0,2,0,0,0,0|0,1,1]=4 36 B6R0.4 CSCCC(=N)N BB12-3715 [0,2,0,0,0,0|1,0,1]=4 37 B6R0.4 [C-]#[N+]CCN(C)C BB56-1617 [0,2,0,0,0,0|2,0,0]=4 38 B6R0.5 COCC(C)(C)N BB53-1697 [0,2,0,0,0,0|2,0,0]=4 39 B6R0.5 CS(=O)(=O)CCN BB53-1620 [0,2,0,0,0,0|2,0,0]=4 40 B6R0.5 CS(=O)(=O)CCO BB53-1360 [0,2,0,0,0,0|1,1,0]=4 41 B6R0.6 C=CCCCC#N BB12-2224 [0,2,0,0,0,0|1,0,1]=4 42 B6R0.6 CCCSCCN BB53-1582 [0,2,0,0,0,0|1,0,0]=3 43 B6R0.6 CCSCCNC BB12-0971 [0,2,0,0,0,0|1,0,0]=3 44 B6R0.6 COCCN=C=S BB53-1315 [0,2,0,0,0,0|0,0,2]=4 45 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [0,2,0,0,0,0|1,0,0]=3 46 B6R0.8 CCC(C)(N)CO BB56-2220 [0,2,0,0,0,0|0,1,0]=3 47 B6R0.9 CCC(C#N)NC BB12-1702 [0,2,0,0,0,0|1,0,1]=4 48 B6R1.2 OC1CNOC1 BB12-1709 [0,1,0,1,0,0|1,1,0]=4 49 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,1,0,1,0,0|0,1,0]=3 50 B6R1.3 CC#CC1CC1 BB12-2979 [0,1,0,1,0,0|1,0,1]=4 51 B6R1.3 S=C=NC1CC1 BB53-1314 [0,1,0,1,0,0|0,0,2]=4 52 B6R1.11 N=C(N)C1CC1 BB53-1675 [0,1,0,1,0,0|1,0,1]=4 53 B6R1.11 NC(=S)C1CC1 BB12-3485 [0,1,0,1,0,0|0,0,2]=4 54 B6R1.6 NCC1CCC1 BB12-1679 [0,1,0,1,0,0|1,0,0]=3