0 B7R1.2 CC1=NN=C(O)O1 BB12-2756 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.2 CC1=NN=C(S)O1 BB12-2764 [0,0,0,0,0,0|2,1,1]=4 2 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.2 O=C1CNC(=S)N1 BB20-3124 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.1 CN1CCC(CBr)C1 BB12-3105 [0,1,0,0,0,0|3,0,0]=4 6 B8R1.1 CN1CCC(CCl)C1 BB12-1681 [0,1,0,0,0,0|3,0,0]=4 7 B8R1.1 CN1CCC(CN)C1 BB56-2350 [0,1,0,0,0,0|3,0,0]=4 8 B8R1.1 COC1=CC(=O)NC1 BB12-2206 [0,1,0,0,0,0|2,0,1]=4 9 B8R1.51 CC1(C)CCC(=O)N1 BB12-1604 [0,1,0,0,0,0|1,0,0]=2 10 B8R1.51 CC1(C)COC(=O)N1 BB12-2312 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.51 NC1CCS(=O)(=O)C1 BB12-2525 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.1 C#CC(=O)OCC BB53-1426 [0,0,1,0,0,0|0,0,2]=3 13 B6R0.1 CNC(=O)CCCl BB12-1619 [0,0,1,0,0,0|3,0,0]=4 14 B6R0.1 CNC(=O)CCN BB12-1715 [0,0,1,0,0,0|3,0,0]=4 15 B6R0.1 CNC(=O)CCO BB12-3660 [0,0,1,0,0,0|3,0,0]=4 16 B6R0.1 COC(=O)CCN BB12-2761 [0,0,1,0,0,0|3,0,0]=4 17 B6R0.1 COC(=O)CCO BB12-1300 [0,0,1,0,0,0|3,0,0]=4 18 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,0,1,0,0,0|3,0,0]=4 19 B6R0.4 C=CCNC(C)C BB12-1319 [0,0,1,0,0,0|3,0,0]=4 20 B6R0.4 CC(C)CN=C=O BB01-8145 [0,0,1,0,0,0|2,0,1]=4 21 B6R0.4 CCNCC(C)O BB12-1676 [0,0,1,0,0,0|2,0,1]=4 22 B6R0.4 CCSCC(=O)O BB12-3264 [0,0,1,0,0,0|1,0,0]=2 23 B6R0.4 CNCCC(=O)O BB12-1452 [0,0,1,0,0,0|1,0,0]=2 24 B6R0.4 COCCC(=O)Cl BB20-1617 [0,0,1,0,0,0|2,0,0]=3 25 B6R0.4 CSCCC(=N)N BB12-3715 [0,0,1,0,0,0|3,0,0]=4 26 B8R1.3 O=C1CCS(=O)CC1 BB53-1536 [0,0,0,0,0,1|3,0,0]=4 27 B8R1.4 CC1CNCC(C)N1 BB20-4583 [0,0,0,0,0,1|2,0,1]=4 28 B5R0.1 CCOC(C)=N BB12-3674 [1,0,1,0,0,0|1,0,0]=3 29 B5R0.1 CNCC(C)=O BB12-3010 [1,0,1,0,0,0|2,0,0]=4 30 B5R0.1 CNCC(C)O BB12-1288 [1,0,1,0,0,0|1,0,1]=4 31 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,0,1,0,0,0|2,0,0]=4 32 B5R0.3 CCC(C)NC BB53-1672 [1,0,1,0,0,0|1,0,1]=4 33 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [1,0,1,0,0,0|1,0,1]=4 34 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,1,1,0,0,0|2,0,0]=4 35 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,1,1,0,0,0|2,0,0]=4 36 B7R0.2 CNC(=O)CC(C)N BB12-1658 [0,1,1,0,0,0|2,0,0]=4 37 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,1,1,0,0,0|2,0,0]=4 38 B7R0.3 CCC(=O)NCCN BB12-2323 [0,1,1,0,0,0|1,0,0]=3 39 B7R0.3 CNCCC(=O)NC BB12-1428 [0,1,1,0,0,0|2,0,0]=4 40 B7R0.7 CCOC(=N)CCCl BB12-2325 [0,1,1,0,0,0|1,0,0]=3 41 B7R0.7 CCOC(=O)CCO BB12-1446 [0,1,1,0,0,0|0,0,0]=2 42 B7R0.10 CCN(C)C(=O)CCl BB12-2479 [0,1,1,0,0,0|2,0,0]=4 43 B7R0.12 CCOC(CC)CBr BB12-3730 [0,1,1,0,0,0|1,0,1]=4 44 B7R0.9 CC(C)(C)OC(N)=O BB56-2323 [0,1,1,0,0,0|1,0,0]=3 45 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,1,1,0,0,0|0,0,2]=4 46 B7R0.4 CC(=O)NCCCO BB12-3384 [0,1,1,0,0,0|2,0,0]=4 47 B7R0.4 CCCSCC(=O)O BB12-3263 [0,1,1,0,0,0|0,0,0]=2 48 B7R0.4 CCSCCC(=O)O BB12-3270 [0,1,1,0,0,0|0,0,0]=2 49 B7R0.4 NC(=O)CSCCO BB53-1357 [0,1,1,0,0,0|2,0,0]=4 50 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,1,1,0,0,0|1,0,0]=3 51 B7R1.1 CNC1CCCC1 BB53-1678 [1,1,0,0,0,0|1,0,1]=4 52 B7R1.4 NC1CCNC1=O BB12-2184 [1,1,0,0,0,0|1,0,0]=3 53 B9R1.1 CC1CCC(=NO)CC1 BB12-1451 [0,1,0,0,0,1|1,0,1]=4 54 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,0,1,1,0,0|1,0,0]=3 55 B5R0.5 CC(Cl)C(N)=O BB12-1307 [0,0,1,0,1,0|2,0,0]=4 56 B5R1.2 O=C1CNC1 BB20-3400 [1,0,0,0,1,0|1,0,0]=3 57 B9R1.49 CN1CCCC(=O)CC1 BB12-1456 [0,0,0,0,0,2|2,0,0]=4