0 B5R0.1 CNCC(C)=O BB12-3010 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CNCC(C)O BB12-1288 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.2 CSCCCl BB53-1396 [1,0,0,0,0,0|2,0,1]=4 3 B4R0.2 CSCCN BB12-0970 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.1 CC(CN)CCN BB12-1906 [0,1,0,0,0,0|1,0,1]=3 5 B6R0.1 CCNC(C)CO BB12-1659 [0,1,0,0,0,0|2,0,1]=4 6 B6R0.1 CC[C@H](N)COC BB20-3253 [0,1,0,0,0,0|3,0,0]=4 7 B6R0.1 CNC(C)CCO BB12-1373 [0,1,0,0,0,0|0,0,2]=3 8 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,1,0,0,0,0|1,0,0]=2 9 B6R0.3 CC(C)C(=O)NN BB12-1583 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.3 CC(C)\C(N)=N\O BB53-1938 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.3 CC(CN)N(C)C BB12-3256 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.3 COC(=N)C(C)C BB12-3132 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.4 C=CCNC(C)C BB12-1319 [0,1,0,0,0,0|1,0,0]=2 14 B6R0.4 CC(C)CN=C=O BB01-8145 [0,1,0,0,0,0|0,0,1]=2 15 B6R0.4 CC(C)SCCCl BB53-1373 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.4 CC(C)SCCN BB53-1544 [0,1,0,0,0,0|1,0,1]=3 17 B6R0.4 CC(C)SCCO BB53-1392 [0,1,0,0,0,0|0,0,2]=3 18 B6R0.4 CCNCC(C)O BB12-1676 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.4 [C-]#[N+]CCN(C)C BB56-1617 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.5 C(=O)NC(C)(C)C BB20-3385 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.5 COCC(C)(C)N BB53-1697 [0,1,0,0,0,0|2,0,0]=3 22 B6R1.2 OC1CNOC1 BB12-1709 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,0,0,1,0,0|2,0,1]=4 24 B6R1.3 CC#CC1CC1 BB12-2979 [0,0,0,1,0,0|1,0,2]=4 25 B6R1.3 S=C=NC1CC1 BB53-1314 [0,0,0,1,0,0|1,1,1]=4 26 B3R0.1 NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4 27 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|1,0,1]=4 28 B3R0.2 CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.3 CCC(C)NC BB53-1672 [1,1,0,0,0,0|0,0,1]=3 30 B5R0.3 CNC(C)CO BB12-1570 [1,1,0,0,0,0|0,0,1]=3 31 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [1,1,0,0,0,0|0,0,2]=4 32 B5R0.4 CC(C)(N)CO BB17-0635 [1,1,0,0,0,0|0,0,1]=3 33 B5R0.5 CC(Cl)C(N)=O BB12-1307 [1,1,0,0,0,0|1,0,0]=3 34 B5R0.2 CCSCCN BB53-1545 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.2 CSCCC#N BB12-3714 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.2 [C-]#[N+]CCOC BB56-1837 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.2 CC(C)CC(=O)NN BB12-2655 [0,2,0,0,0,0|0,0,0]=2 39 B7R0.2 CC(CO)CN(C)C BB12-3644 [0,2,0,0,0,0|2,0,0]=4 40 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,2,0,0,0,0|1,0,0]=3 41 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,2,0,0,0,0|1,0,0]=3 42 B7R0.2 CNC(=O)CC(C)N BB12-1658 [0,2,0,0,0,0|1,0,0]=3 43 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,2,0,0,0,0|0,0,0]=2 44 B7R0.2 C\C(C=O)=C\N(C)C BB12-3546 [0,2,0,0,0,0|1,0,1]=4 45 B7R0.5 CC(CCN)N(C)C BB12-1370 [0,2,0,0,0,0|1,0,1]=4 46 B7R0.5 CC(CCO)N(C)C BB12-3646 [0,2,0,0,0,0|0,0,2]=4 47 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [0,2,0,0,0,0|1,0,1]=4 48 B7R0.7 CCNC(C)CCO BB12-1398 [0,2,0,0,0,0|0,0,2]=4 49 B7R0.11 COC(C)(C)CCN BB12-2310 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.9 CC(=O)CS(C)(=O)=O BB12-0011 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.9 CC(C)(C)OC(N)=O BB56-2323 [0,2,0,0,0,0|1,0,0]=3 52 B7R0.9 CN(C)CC(C)(C)N BB12-1286 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,2,0,0,0,0|1,0,0]=3 54 B7R0.4 CC(C)CCCCO BB12-2305 [0,2,0,0,0,0|0,0,2]=4 55 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,2,0,0,0,0|0,0,2]=4 56 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.6 CC(C)=NNC(N)=O BB12-2973 [0,2,0,0,0,0|1,0,1]=4 58 B7R0.6 CC(C)CNC(C)C BB12-1371 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,2,0,0,0,0|0,0,0]=2 60 B7R1.1 CNC1CCCC1 BB53-1678 [0,1,0,1,0,0|1,0,1]=4 61 B7R1.6 CNCC1CCC1 BB12-1623 [0,1,0,1,0,0|2,0,0]=4