0 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O NPA007061 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.113 C1C(C=CC=C1C(=O)O)N NPA013886 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.113 CC1=CC=CC(=C1)C(=O)C NPA016953 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.2 CC1=CC(=CC=C1)OC NPA008038 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.2 OCC1=CC(=CC=C1)O NPA032542 [1,0,0,0,0,0|0,0,1]=2 5 B9R1.6 C1=CC=C(C=C1)C(=O)O NPA008069 [1,0,0,0,0,0|0,0,0]=1 6 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O NPA011566 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)O NPA013732 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.21 CC1=CC=C(OC1=O)C(=O)C NPA003401 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.74 C1=C(C=C(C=C1O)O)C(=O)O NPA005829 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.74 C1=C(C=C(C=C1O)O)[N+](=O)[O-] NPA005686 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O NPA013507 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.74 CC1=CC(=CC(=O)N1)C(=O)C NPA015669 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O NPA030274 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O NPA015138 [0,1,0,0,0,0|0,0,0]=1 15 B11R1.159 C1=C[C@H]([C@@H](C(=C1)C(=O)O)N)O NPA010332 [0,1,0,0,0,0|0,0,2]=3 16 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O NPA006924 [0,1,0,0,0,0|1,0,1]=3 17 B9R1.35 CC1=CC=C(O1)C(=O)C NPA011986 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.35 CC1=NC=C(N1)C(=O)O NPA032469 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.41 CC1=CNC=C1C(=O)C NPA004787 [0,0,0,0,1,0|3,0,0]=4 20 B11R1.157 CC(O)CC1=CC(=CN=C1)O NPA031499 [0,0,0,0,0,1|2,0,1]=4 21 B8R0.8 C=C/C=C\C(C(=O)O)N NPA009971 [1,0,1,0,0,0|1,0,1]=4 22 B8R1.2 C=CC1=CC=CC=C1 NPA015288 [2,0,0,0,0,0|1,0,0]=3 23 B8R1.2 COC1=CC=CC=C1 NPA018776 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.4 CC1=CC(=O)C=CN1 NPA011826 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.4 CC1=CC(=O)C=CO1 NPA012777 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.4 OC1=CC=CC(=C1)O NPA032541 [2,0,0,0,0,0|0,0,0]=2 27 B10R1.8 C1=C(C=C(C=C1O)O)CO NPA019372 [1,1,0,0,0,0|0,0,1]=3 28 B10R1.30 O=C1OC=C(C=C1CO)O NPA034706 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.172 COC1=CC(=CC=C1)OC NPA000357 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.176 OCC1=CC(=C(C=C1)O)O NPA032543 [1,1,0,0,0,0|0,0,1]=3 31 B10R1.13 C1=CC(=CC=C1C(=O)N)O NPA016028 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.15 CSC(=O)C1=CC=CC=C1 NPA006840 [1,1,0,0,0,0|0,1,0]=3 33 B10R1.28 CC(C)(C1=CC=CC=C1)O NPA011090 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O NPA022113 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.61 CC(=O)C1=CC=CC=C1N NPA005121 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.31 C1=C(OC=C1C(=O)O)CO NPA015736 [0,1,0,0,1,0|1,0,0]=3 37 B10R1.31 CC(=O)C1=CNC(=C1)CO NPA001194 [0,1,0,0,1,0|2,0,0]=4 38 B12R1.19 C1=CC(=C(C=C1CC(=O)N)Cl)O NPA019761 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.101 CC(=O)CC1=CC(=CC(=O)O1)O NPA006438 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.101 C[C@@H](CC1=CC(=CC(=C1)O)O)O NPA017077 [0,1,0,0,0,1|1,0,1]=4 41 B12R1.56 C1=CC(=C(C=C1C(=O)N)N=O)O NPA016795 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.56 CC1=C(C=C(C=C1)[N+](=O)[O-])CO NPA009720 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O NPA011303 [0,2,0,0,0,0|0,0,0]=2 44 B12R1.1005 C1=C(C=C(C(=C1Cl)O)Cl)C(=O)O NPA009099 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.354 CN(C1=C(C=CC(=C1)O)O)N=O NPA005705 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.11 CC(=O)C1=CC(=CC(=O)O1)OC NPA019215 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.11 CCC1=CC(=O)OC(=C1)C(=O)O NPA009127 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.894 CC1=C(C(=C(C=C1)C)O)C(=O)O NPA014889 [0,2,0,0,0,0|1,0,0]=3 49 B10R1.66 C1=C(NC=N1)/C=C/C(=O)O NPA010452 [0,0,1,1,0,0|2,0,0]=4 50 B8R1.7 C1=CNC(=C1)C(=O)N NPA022114 [1,0,0,0,1,0|2,0,0]=4 51 B8R1.7 O=C(O)C1=CN=CN1 NPA032468 [1,0,0,0,1,0|2,0,0]=4 52 B10R1.18 CC(=O)CC1=CC=CC=C1 NPA018784 [1,0,0,0,0,1|1,0,0]=3