0 B5R0.2 CCSCCN BB53-1545 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 CSCCC#N BB12-3714 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 [C-]#[N+]CCCC BB56-0718 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 [C-]#[N+]CCOC BB56-1837 [0,0,0,0,0,0|2,1,1]=4 4 B4R0.2 CSCCCl BB53-1396 [1,0,0,0,0,0|1,0,0]=2 5 B4R0.2 CSCCN BB12-0970 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.1 CCC\C(N)=N\O BB10-0037 [0,1,0,0,0,0|3,0,0]=4 7 B6R0.1 CCNC(C)CO BB12-1659 [0,1,0,0,0,0|3,0,0]=4 8 B6R0.1 CC[C@H](N)COC BB20-3253 [0,1,0,0,0,0|1,1,0]=3 9 B6R0.1 CNC(=O)CCCl BB12-1619 [0,1,0,0,0,0|3,0,0]=4 10 B6R0.1 CNC(=O)CCN BB12-1715 [0,1,0,0,0,0|3,0,0]=4 11 B6R0.1 CNC(=O)CCO BB12-3660 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.1 CNC(C)CCO BB12-1373 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.1 COC(=O)CCN BB12-2761 [0,1,0,0,0,0|2,1,0]=4 14 B6R0.1 COC(=O)CCO BB12-1300 [0,1,0,0,0,0|2,1,0]=4 15 B6R0.4 CC(C)CN=C=O BB01-8145 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.4 CC(C)SCCCl BB53-1373 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.4 CC(C)SCCN BB53-1544 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.4 CC(C)SCCO BB53-1392 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.4 CCNCC(C)O BB12-1676 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.4 CCSCC(=O)O BB12-3264 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.4 CSCCC(=N)N BB12-3715 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.6 CCCSCCN BB53-1582 [0,1,0,0,0,0|1,0,0]=2 23 B6R0.6 CCSCCNC BB12-0971 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.6 COCCN=C=S BB53-1315 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [0,1,0,0,0,0|1,1,1]=4 26 B6R1.2 OC1CNOC1 BB12-1709 [0,0,0,1,0,0|2,1,0]=4 27 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.3 CC#CC1CC1 BB12-2979 [0,0,0,1,0,0|2,0,0]=3 29 B6R1.3 S=C=NC1CC1 BB53-1314 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.6 NCC1CCC1 BB12-1679 [0,0,0,1,0,0|3,0,0]=4 31 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.1 CCOC(C)=N BB12-3674 [1,1,0,0,0,0|1,1,0]=4 33 B5R0.1 CNCC(C)=O BB12-3010 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.1 CNCC(C)O BB12-1288 [1,1,0,0,0,0|1,0,0]=3 35 B5R0.3 CCC(C)NC BB53-1672 [1,1,0,0,0,0|1,0,0]=3 36 B5R0.3 CNC(C)CO BB12-1570 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.2 CNC(=O)CC(C)N BB12-1658 [0,2,0,0,0,0|2,0,0]=4 39 B7R0.3 CCCCC(N)CO BB56-2048 [0,2,0,0,0,0|2,0,0]=4 40 B7R0.3 CCN(C)CCCN BB12-1555 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.3 CCN(C)CCCO BB12-3254 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.3 CNCCC(=O)NC BB12-1428 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.3 CSCCC(N)CO BB56-2047 [0,2,0,0,0,0|1,0,0]=3 44 B7R0.7 CCNC(C)CCO BB12-1398 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.7 CNCC(O)COC BB17-0811 [0,2,0,0,0,0|1,1,0]=4 46 B7R0.12 CCOC(CC)CBr BB12-3730 [0,2,0,0,0,0|1,1,0]=4 47 B7R0.4 CC(=O)NCCCO BB12-3384 [0,2,0,0,0,0|2,0,0]=4 48 B7R0.4 CC(C)CCCCO BB12-2305 [0,2,0,0,0,0|2,0,0]=4 49 B7R0.4 CCCSCC(=O)O BB12-3263 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.4 CCSCCC(=O)O BB12-3270 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.6 CC(C)CNC(C)C BB12-1371 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.1 CCCCOCCN BB53-1642 [0,2,0,0,0,0|1,1,0]=4 53 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [0,2,0,0,0,0|2,0,0]=4 54 B7R1.1 CNC1CCCC1 BB53-1678 [0,1,0,1,0,0|2,0,0]=4 55 B7R1.3 NC1CCCOC1 BB12-2177 [0,1,0,1,0,0|1,1,0]=4 56 B7R1.3 OC1CCOCC1 BB12-1171 [0,1,0,1,0,0|1,1,0]=4 57 B7R1.3 OC1CCSCC1 BB53-1540 [0,1,0,1,0,0|1,0,0]=3 58 B7R1.6 CNCC1CCC1 BB12-1623 [0,1,0,1,0,0|2,0,0]=4 59 B7R1.24 C1CNCCNC1 BB12-2760 [0,1,0,1,0,0|2,0,0]=4