0 B6R0.4 CCNCC(C)C AIFCHEM-94537422162 [1,0,0,0,0,0|2,0,1]=4 1 B8R0.9 CC(C)CNC(=O)CO AIFCHEM-94532683064 [0,1,0,0,0,0|1,0,0]=2 2 B8R0.9 CC(C)CNC(C)CO AIFCHEM-6145692687 [0,1,0,0,0,0|2,0,1]=4 3 B8R0.9 CC(C)CN[C@@H](C)CO AIFCHEM-94572978911 [0,1,0,0,0,0|2,0,1]=4 4 B8R0.9 CC(C)CN[C@H](C)CO AIFCHEM-94572979978 [0,1,0,0,0,0|2,0,1]=4 5 B8R0.9 O=C(CO)NCC(F)F AIFCHEM-94532685749 [0,1,0,0,0,0|3,0,0]=4 6 B8R0.28 CC(=O)NCCC(=O)N AIFCHEM-94535598360 [0,0,0,0,0,1|2,0,1]=4 7 B8R0.28 CC(=O)NCCN(C)C AIFCHEM-5916242960 [0,0,0,0,0,1|2,0,0]=3 8 B7R0.2 CCN(C)CC(=O)O AIFCHEM-94537423902 [1,1,0,0,0,0|1,0,0]=3 9 B7R0.3 CCCNC(=O)CO AIFCHEM-94532683616 [1,1,0,0,0,0|1,0,0]=3 10 B7R0.3 CCNCC(=O)NC AIFCHEM-94562545297 [1,1,0,0,0,0|2,0,0]=4 11 B7R0.5 CCNC(C)C(=O)N AIFCHEM-94537421902 [1,1,0,0,0,0|2,0,0]=4 12 B7R0.5 CCNC(C)C(=O)O AIFCHEM-94537419943 [1,1,0,0,0,0|1,0,0]=3 13 B7R0.5 CCN[C@@H](C)C(=O)N AIFCHEM-94537424903 [1,1,0,0,0,0|2,0,0]=4 14 B7R0.5 CCN[C@@H](C)C(=O)O AIFCHEM-94576654329 [1,1,0,0,0,0|1,0,0]=3 15 B7R0.5 CCN[C@H](C)C(=O)N AIFCHEM-94537424731 [1,1,0,0,0,0|2,0,0]=4 16 B7R0.5 CCN[C@H](C)C(=O)O AIFCHEM-94537420413 [1,1,0,0,0,0|1,0,0]=3 17 B7R0.9 CC(=O)NC(C)(C)C AIFCHEM-94535599272 [0,1,0,0,1,0|2,0,0]=4 18 B9R0.1 C#CC(=O)NCCC(C)C AIFCHEM-94525199807 [0,1,0,0,0,1|1,0,0]=3 19 B9R0.1 C#CC(=O)NCCN(C)C AIFCHEM-94525191094 [0,1,0,0,0,1|2,0,0]=4 20 B9R0.1 CC(CO)NCCC(=O)O AIFCHEM-5885922854 [0,1,0,0,0,1|0,0,0]=2 21 B9R0.1 CCC(=O)NCCC(C)C AIFCHEM-94526508254 [0,1,0,0,0,1|1,0,0]=3 22 B9R0.1 COC(=O)CCNC(=O)C AIFCHEM-94535595323 [0,1,0,0,0,1|1,0,1]=4 23 B9R0.7 CC(C)CN[C@@H](C)C(=O)O AIFCHEM-94572982216 [0,1,0,0,0,1|0,0,0]=2 24 B9R0.7 CC(C)CN[C@H](C)C(=O)O AIFCHEM-94572979750 [0,1,0,0,0,1|0,0,0]=2 25 B9R0.53 CC(=O)NC(C)CN(C)C AIFCHEM-94535599332 [0,1,0,0,0,1|2,0,0]=4 26 B9R0.21 C#CC(=O)NCC(C)(C)C AIFCHEM-94525200222 [0,2,0,0,0,0|2,0,0]=4 27 B9R0.21 CC(C)(C)CNC(=O)CO AIFCHEM-94532678213 [0,2,0,0,0,0|1,0,0]=3 28 B9R0.21 CC(F)(F)CNC(=O)CO AIFCHEM-5902791885 [0,2,0,0,0,0|2,0,0]=4 29 B9R0.21 CCN(C)CCS(=O)(=O)O AIFCHEM-94537411945 [0,2,0,0,0,0|2,0,0]=4 30 B9R0.23 CC(C)CN(C)C(=O)CO AIFCHEM-94532684278 [0,2,0,0,0,0|1,0,0]=3 31 B9R0.24 CC(C#N)CNC(=O)CO AIFCHEM-94532687545 [0,2,0,0,0,0|1,0,1]=4 32 B9R0.24 CCN(C)CCC(=O)NC AIFCHEM-94601213308 [0,2,0,0,0,0|2,0,0]=4 33 B9R0.42 CC(CO)NC(C)C(=O)N AIFCHEM-6246193388 [0,2,0,0,0,0|2,0,0]=4 34 B9R0.42 CC(CO)N[C@@H](C)C(=O)N AIFCHEM-94608799616 [0,2,0,0,0,0|2,0,0]=4 35 B9R0.42 CC(CO)N[C@H](C)C(=O)N AIFCHEM-5898838869 [0,2,0,0,0,0|2,0,0]=4 36 B9R0.48 C#CCC(=O)NCC(C)C AIFCHEM-94563729590 [0,2,0,0,0,0|2,0,0]=4 37 B9R0.48 CC(C)CNC(=O)CCO AIFCHEM-94563731697 [0,2,0,0,0,0|1,0,0]=3 38 B7R1.20 CC(=O)NC1CC1 AIFCHEM-6145357787 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.53 CC(=O)NC1CC(C1)F AIFCHEM-94535590499 [0,0,0,1,0,1|2,0,0]=4 40 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)F AIFCHEM-94605344762 [0,0,0,1,0,1|2,0,0]=4 41 B9R1.53 CC(=O)N[C@H]1C[C@H](C1)F AIFCHEM-5940787205 [0,0,0,1,0,1|2,0,0]=4 42 B9R1.95 CSC1CN(C1)C(=O)C AIFCHEM-94605344908 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.147 CC(=O)NCC1(CC1)F AIFCHEM-5721122163 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.137 CC(=O)NC(C)C1CC1 AIFCHEM-94535596446 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.137 CC(=O)N[C@@H](C)C1CC1 AIFCHEM-94605348586 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.137 CC(=O)N[C@H](C)C1CC1 AIFCHEM-94605348551 [0,1,0,1,0,0|2,0,0]=4 47 B9R0.55 CC(=O)NCCOC(C)C AIFCHEM-6271109492 [0,0,0,0,0,2|1,0,0]=3