0 B6R0.6 CCCSCCN BB53-1582 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 CCSCCN BB53-1545 [1,0,0,0,0,0|2,0,0]=3 2 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.1 CCCCOCCN BB53-1642 [0,1,0,0,0,0|3,0,0]=4 4 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [0,1,0,0,0,0|3,0,0]=4 5 B7R0.3 CCC(=O)NCCN BB12-2323 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.3 CCCCC(N)CO BB56-2048 [0,1,0,0,0,0|2,0,0]=3 7 B7R0.3 CCN(C)CCCO BB12-3254 [0,1,0,0,0,0|3,0,0]=4 8 B7R0.3 CSCCC(N)CO BB56-2047 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.4 CC(C)CCCCO BB12-2305 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.4 CCCSCC(=O)O BB12-3263 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.4 NC(=O)CSCCO BB53-1357 [0,1,0,0,0,0|1,0,2]=4 12 B7R0.7 CCNC(C)CCO BB12-1398 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.7 CCOC(=O)CCO BB12-1446 [0,1,0,0,0,0|3,0,0]=4 14 B7R1.1 ClCC1=NCCN1 BB12-2991 [0,0,0,1,0,0|2,0,1]=4 15 B7R1.3 NC1CCCOC1 BB12-2177 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.3 OC1CCOCC1 BB12-1171 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.3 OC1CCSCC1 BB53-1540 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.24 C1CNCCNC1 BB12-2760 [0,0,0,1,0,0|2,0,0]=3 19 B4R0.2 CSCCCl BB53-1396 [2,0,0,0,0,0|2,0,0]=4 20 B4R0.2 CSCCN BB12-0970 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.1 CC(CN)CCN BB12-1906 [1,1,0,0,0,0|2,0,0]=4 22 B6R0.1 CCNC(C)CO BB12-1659 [1,1,0,0,0,0|0,0,0]=2 23 B6R0.1 CNC(=O)CCO BB12-3660 [1,1,0,0,0,0|2,0,0]=4 24 B6R0.1 CNC(C)CCO BB12-1373 [1,1,0,0,0,0|2,0,0]=4 25 B6R0.1 COC(=O)CCO BB12-1300 [1,1,0,0,0,0|2,0,0]=4 26 B6R0.1 N\C(CCO)=N/O BB12-3471 [1,1,0,0,0,0|1,0,1]=4 27 B6R0.4 C=CCNC(C)C BB12-1319 [1,1,0,0,0,0|1,0,1]=4 28 B6R0.4 CC(C)SCCCl BB53-1373 [1,1,0,0,0,0|2,0,0]=4 29 B6R0.4 CC(C)SCCN BB53-1544 [1,1,0,0,0,0|2,0,0]=4 30 B6R0.4 CC(C)SCCO BB53-1392 [1,1,0,0,0,0|1,0,0]=3 31 B6R0.4 CCNCC(C)O BB12-1676 [1,1,0,0,0,0|0,0,0]=2 32 B6R0.4 CCSCC(=O)O BB12-3264 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.5 CN(CCO)CC(=O)O BB12-1628 [0,2,0,0,0,0|0,0,1]=3 34 B6R1.2 OC1CNOC1 BB12-1709 [1,0,0,1,0,0|1,0,0]=3 35 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [1,0,0,1,0,0|0,0,0]=2 36 B6R1.6 NCC1CCC1 BB12-1679 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.2 COC1CCCNC1 BB12-3161 [0,1,0,1,0,0|1,0,0]=3 38 B8R1.2 NCC1COCCO1 BB01-4608 [0,1,0,1,0,0|2,0,0]=4 39 B8R1.2 OCC1CCCCC1 BB20-4574 [0,1,0,1,0,0|2,0,0]=4 40 B8R1.2 OCC1CCCCN1 BB56-1322 [0,1,0,1,0,0|1,0,0]=3 41 B8R1.2 OCC1CCCOC1 BB12-1755 [0,1,0,1,0,0|1,0,0]=3 42 B8R1.5 O=C1CCOCC1O BB17-2979 [0,1,0,1,0,0|1,0,1]=4 43 B8R1.8 CCCC1CCCN1 BB56-1742 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.8 COCC1CCCN1 BB56-0037 [0,1,0,1,0,0|1,0,0]=3 45 B8R1.8 CSCC1CCCN1 BB56-0633 [0,1,0,1,0,0|1,1,0]=4 46 B8R1.8 NCCC1CCCN1 BB20-3166 [0,1,0,1,0,0|2,0,0]=4 47 B8R1.11 CN1CCCC1CBr BB12-3093 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.11 CN1CCCC1CO BB12-1660 [0,1,0,1,0,0|1,0,0]=3 49 B8R1.22 CC1CCCCCN1 BB12-3099 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.22 CC1CCCNCC1 BB12-1445 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,1,0,1,0,0|1,0,1]=4 52 B8R1.52 NC1(CO)CCCC1 BB56-2049 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.4 CC1CNCC(C)N1 BB20-4583 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.7 CC(C)C1CCCN1 BB56-0522 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.72 CC1(C)CCCNC1 BB12-1606 [0,1,0,1,0,0|2,0,0]=4