0 B6R0.2 CC(=O)NC(=N)N BB56-2578 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 CCOC(C)=N BB12-3674 [1,0,0,0,0,0|2,0,0]=3 3 B5R0.1 CNCC(C)=O BB12-3010 [1,0,0,0,0,0|1,0,0]=2 4 B5R0.1 CNCC(C)O BB12-1288 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.2 CC(C#N)CN(C)C BB12-1399 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.2 CC(C)CC(=O)NN BB12-2655 [0,1,0,0,0,0|1,0,0]=2 7 B7R0.2 CC(CO)CN(C)C BB12-3644 [0,1,0,0,0,0|2,0,0]=3 8 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,1,0,0,0,0|2,0,0]=3 9 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,1,0,0,0,0|1,0,0]=2 10 B7R0.2 CNC(=O)CC(C)N BB12-1658 [0,1,0,0,0,0|1,0,0]=2 11 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,1,0,0,0,0|1,0,0]=2 12 B7R0.2 C\C(C=O)=C\N(C)C BB12-3546 [0,1,0,0,0,0|1,0,1]=3 13 B7R0.9 CC(=O)CS(C)(=O)=O BB12-0011 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.9 CC(C)(C)OC(N)=O BB56-2323 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.9 CN(C)CC(C)(C)N BB12-1286 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,0,0,1,0,0|1,0,2]=4 18 B5R0.5 CC(Cl)C(N)=O BB12-1307 [0,0,0,0,1,0|2,0,0]=3 19 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,0,0,0,0,1|0,0,2]=3 20 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,0,0,0,0,1|2,0,1]=4 21 B7R0.6 CC(C)=NNC(N)=O BB12-2973 [0,0,0,0,0,1|2,0,1]=4 22 B7R0.6 CC(C)CNC(C)C BB12-1371 [0,0,0,0,0,1|1,0,1]=3 23 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,0,0,0,0,1|1,0,0]=2 24 B4R0.2 CSCCCl BB53-1396 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.2 CSCCN BB12-0970 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.1 C#CC(=O)OCC BB53-1426 [1,1,0,0,0,0|1,0,1]=4 27 B6R0.1 CC(CN)CCN BB12-1906 [1,1,0,0,0,0|1,0,1]=4 28 B6R0.1 CCC\C(N)=N\O BB10-0037 [1,1,0,0,0,0|1,0,1]=4 29 B6R0.1 CCNC(C)CO BB12-1659 [1,1,0,0,0,0|1,0,1]=4 30 B6R0.1 CC[C@H](N)COC BB20-3253 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.1 CNC(=O)CC#N BB12-1423 [1,1,0,0,0,0|1,0,1]=4 32 B6R0.1 CNC(=O)CCCl BB12-1619 [1,1,0,0,0,0|1,0,0]=3 33 B6R0.1 CNC(=O)CCN BB12-1715 [1,1,0,0,0,0|1,0,0]=3 34 B6R0.1 CNC(=O)CCO BB12-3660 [1,1,0,0,0,0|1,0,0]=3 35 B6R0.1 CNC(C)CCO BB12-1373 [1,1,0,0,0,0|0,0,2]=4 36 B6R0.1 CNCC(=O)NN BB12-1497 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.1 COC(=O)CCN BB12-2761 [1,1,0,0,0,0|1,0,0]=3 38 B6R0.1 COC(=O)CCO BB12-1300 [1,1,0,0,0,0|1,0,0]=3 39 B6R0.3 COC(=N)C(C)C BB12-3132 [1,1,0,0,0,0|1,0,1]=4 40 B6R0.3 CSC(C)C(=O)O BB12-2671 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.4 C=CCNC(C)C BB12-1319 [1,1,0,0,0,0|0,0,1]=3 42 B6R0.4 CC(C)CN=C=O BB01-8145 [1,1,0,0,0,0|0,0,1]=3 43 B6R0.4 CC(C)SCCCl BB53-1373 [1,1,0,0,0,0|1,0,1]=4 44 B6R0.4 CC(C)SCCN BB53-1544 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.4 CC(C)SCCO BB53-1392 [1,1,0,0,0,0|0,0,2]=4 46 B6R0.4 CCNCC(C)O BB12-1676 [1,1,0,0,0,0|0,0,2]=4 47 B6R0.4 CCSCC(=O)O BB12-3264 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.4 CNCCC(=O)O BB12-1452 [1,1,0,0,0,0|1,0,0]=3 49 B6R0.4 COCCC(=O)Cl BB20-1617 [1,1,0,0,0,0|1,0,0]=3 50 B6R0.4 CSCCC(=N)N BB12-3715 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.5 C(=O)NC(C)(C)C BB20-3385 [1,1,0,0,0,0|1,0,0]=3 52 B6R0.5 COCC(C)(C)N BB53-1697 [1,1,0,0,0,0|1,0,0]=3 53 B6R0.5 CS(=O)(=O)CCN BB53-1620 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.5 CS(=O)(=O)CCO BB53-1360 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,1,0,0,0,1|2,0,0]=4 56 B8R0.23 CC(CC(=O)O)N(C)C BB12-1308 [0,1,0,0,0,1|2,0,0]=4 57 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [0,1,0,0,0,1|2,0,0]=4 58 B8R0.29 CC(C)(N)CCC(=O)O BB12-1634 [0,1,0,0,0,1|1,0,0]=3 59 B8R0.2 CC(C)N(C)C(=O)CCl BB12-2480 [0,2,0,0,0,0|1,0,0]=3 60 B8R0.5 CC(C)NC(=O)CC#N BB12-1368 [0,2,0,0,0,0|1,0,0]=3 61 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,2,0,0,0,0|2,0,0]=4 62 B8R0.5 CCOC(=O)CC(C)N BB12-1720 [0,2,0,0,0,0|1,0,0]=3 63 B8R0.5 CN(CCO)CC(=O)O BB12-1628 [0,2,0,0,0,0|2,0,0]=4 64 B8R0.19 CCN(C)CC(=O)NN BB12-2715 [0,2,0,0,0,0|2,0,0]=4 65 B8R0.19 CCN(C)CC(C)CN BB12-1352 [0,2,0,0,0,0|2,0,0]=4 66 B8R0.24 C=CC(=O)NC(C)(C)C BB12-2819 [0,2,0,0,0,0|1,0,1]=4 67 B8R0.18 CC(C)C(CN)N(C)C BB12-3600 [0,2,0,0,0,0|2,0,0]=4 68 B8R0.18 CCC(C(=O)O)N(C)C BB12-3549 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.37 CN(C)C(C)(C)C(=O)O BB12-3603 [0,2,0,0,0,0|2,0,0]=4 70 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [1,0,0,1,0,0|2,0,0]=4 71 B6R1.3 CC#CC1CC1 BB12-2979 [1,0,0,1,0,0|0,0,2]=4 72 B6R1.11 N=C(N)C1CC1 BB53-1675 [1,0,0,1,0,0|2,0,0]=4 73 B6R1.11 NC(=S)C1CC1 BB12-3485 [1,0,0,1,0,0|1,1,0]=4 74 B8R1.3 O=C1CCS(=O)CC1 BB53-1536 [0,0,0,1,0,1|2,0,0]=4 75 B8R1.51 CC1(C)CCC(=O)N1 BB12-1604 [0,0,0,1,0,1|1,0,0]=3 76 B8R1.51 CC1(C)COC(=O)N1 BB12-2312 [0,0,0,1,0,1|1,0,0]=3 77 B8R1.1 CC1=NOC(CN)C1 BB55-4169 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.1 CC1=NOC(CO)C1 BB55-3949 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.1 CN1CCC(CBr)C1 BB12-3105 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.1 CN1CCC(CCl)C1 BB12-1681 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.1 CN1CCC(CN)C1 BB56-2350 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.40 O=C(CCl)NC1CC1 BB53-1318 [0,1,0,1,0,0|1,0,0]=3 83 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,0,0,0,0,2|2,0,0]=4