0 B7R1.2 CC1=CC=C(O1)C NPA006894 [0,0,0,0,0,0|1,0,3]=4 1 B8R1.1 CCC1CC(=O)OC1 NPA004245 [0,1,0,0,0,0|2,0,0]=3 2 B6R0.1 CCCC(=O)CC NPA012016 [0,0,1,0,0,0|1,0,0]=2 3 B6R0.4 C#CNCC(=O)O NPA021067 [0,0,1,0,0,0|1,0,2]=4 4 B6R0.4 CC(=O)CCSC NPA010578 [0,0,1,0,0,0|2,0,0]=3 5 B6R0.4 CC(C)CNC=O NPA028553 [0,0,1,0,0,0|2,0,0]=3 6 B6R0.4 CS/C=C/C(=O)O NPA005711 [0,0,1,0,0,0|1,0,2]=4 7 B6R0.4 C[C@H](CCSC)O NPA014443 [0,0,1,0,0,0|2,0,0]=3 8 B8R1.4 CC1=CC(=O)CCO1 NPA016314 [0,0,0,0,0,1|1,0,1]=3 9 B5R0.1 C(CO)C(=O)O NPA014979 [1,0,1,0,0,0|1,0,0]=3 10 B7R0.5 CCOC(=O)C(C)C NPA012370 [0,1,1,0,0,0|0,0,0]=2 11 B7R0.10 CCC(C)C(=O)OC NPA003841 [0,1,1,0,0,0|2,0,0]=4 12 B7R0.9 CC(=O)CC(C)(C)O NPA001228 [0,1,1,0,0,0|1,0,0]=3 13 B7R0.16 CC(C)C(=O)C(=O)O NPA002663 [0,1,1,0,0,0|2,0,0]=4 14 B7R0.16 CC(C)C(C(=O)O)O NPA012171 [0,1,1,0,0,0|2,0,0]=4 15 B7R0.4 CC(C)CCNC=O NPA028555 [0,1,1,0,0,0|1,0,0]=3 16 B7R0.4 NCCNCC(=O)O NPA027411 [0,1,1,0,0,0|1,0,0]=3 17 B7R0.6 C(C[N+](=O)[O-])C(=O)O NPA007876 [0,1,1,0,0,0|2,0,0]=4 18 B7R0.6 CC(=O)NCC(C)C NPA028554 [0,1,1,0,0,0|2,0,0]=4 19 B7R0.6 CC(C)COC(=O)C NPA006632 [0,1,1,0,0,0|2,0,0]=4 20 B7R1.4 C1[C@H](C(=O)NO1)N NPA001237 [1,1,0,0,0,0|2,0,0]=4 21 B9R1.69 C[C@@H]1C[C@@H]([C@H](CO1)O)O NPA014130 [0,1,0,0,0,1|0,0,2]=4 22 B9R1.69 C[C@@H]1C[C@H]([C@@H](CO1)O)O NPA017087 [0,1,0,0,0,1|0,0,2]=4 23 B9R1.69 C[C@@H]1C[C@H]([C@H](CO1)O)O NPA012313 [0,1,0,0,0,1|0,0,2]=4 24 B9R1.69 C[C@H]1C[C@H](C=CC1=O)O NPA016187 [0,1,0,0,0,1|2,0,0]=4 25 B9R1.23 CC1=CC(OC1=O)CCl NPA019784 [0,2,0,0,0,0|0,0,2]=4 26 B9R1.35 C[C@@H]([C@H]1CCC(=O)O1)O NPA001683 [0,2,0,0,0,0|0,0,0]=2 27 B9R1.35 C[C@H](C1=CC(=O)CC1)O NPA023422 [0,2,0,0,0,0|1,0,1]=4 28 B9R1.37 CC1=C(C(=O)[C@H](C1)O)C NPA001091 [0,2,0,0,0,0|1,0,1]=4 29 B9R1.27 CC1=C(C(=O)CC1)CO NPA015964 [0,2,0,0,0,0|1,0,1]=4 30 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO NPA015750 [0,2,0,0,0,0|1,0,0]=3 31 B9R1.146 CC1(CCC(O1)(C)C)C NPA009801 [0,2,0,0,0,0|1,0,1]=4 32 B9R1.198 CS1(=O)(CCC(=O)O1)O NPA017850 [0,2,0,0,0,0|1,0,0]=3 33 B5R0.5 CC(C(=O)C)O NPA007460 [0,0,1,0,1,0|1,0,0]=3