0 B8R1.3 C1=CC(=CC=C1Cl)Cl S6300 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.3 C1=CC(=CC=C1O)O S4580 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.3 C1=CC(=CC=C1O)O S4580 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.3 CC1=CC=C(O)C=C1 S6017 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.3 C1=CC(=O)NC=C1 S6360 [1,0,0,0,0,0|1,0,1]=3 5 B7R1.3 C1=CN=CC=C1N S5028 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.1 C1=CC(=CC=C1C=O)O S6008 [0,1,0,0,0,0|0,0,1]=2 7 B9R1.1 C1=CC(=CC=C1CO)O S3857 [0,1,0,0,0,0|0,0,0]=1 8 B9R1.1 CCC1=CC=C(C=C1)O S6308 [0,1,0,0,0,0|1,0,0]=2 9 B9R1.1 COC1=CC=C(C=C1)O S4077 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.1 COC1=CC=C(C=C1)O S4077 [0,1,0,0,0,0|0,0,0]=1 11 B9R1.69 C1=C(C(=CNC1=O)Cl)O S2055 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.69 C1=C(C(=CNC1=O)Cl)O S2055 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.69 C1=C(C(=CNC1=O)Cl)O S2055 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.69 CC1=C(C=CC(=C1)O)Cl S4209 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.69 CC1=CC(=C(C=C1)O)O S5616 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.6 C(=CC(=O)O)C(=O)O S4952 [0,0,1,0,0,0|2,0,0]=3 17 B7R0.6 C(=CC(=O)O)C(=O)O S5340 [0,0,1,0,0,0|2,0,0]=3 18 B8R1.2 C1=CC=C(C=C1)C=O S5574 [1,1,0,0,0,0|0,0,1]=3 19 B8R1.2 C1=CC=C(C=C1)CO S4600 [1,1,0,0,0,0|0,0,0]=2 20 B8R1.2 C1=CC=C(C=C1)CO S4600 [1,1,0,0,0,0|0,0,0]=2 21 B8R1.4 CC1=CC=CC(=C1)O S6331 [1,1,0,0,0,0|0,0,0]=2 22 B8R1.5 C1=CC=C(C(=C1)O)O S6305 [1,1,0,0,0,0|0,0,0]=2 23 B8R1.5 C1=CC=[N+](C(=C1)[S-])[O-] S4075 [1,1,0,0,0,0|1,0,1]=4 24 B8R1.5 C1=CC=[N+](C(=C1)[S-])[O-] S4075 [1,1,0,0,0,0|1,0,1]=4 25 B8R1.5 C1=CN=CC(=C1N)N S4622 [1,1,0,0,0,0|2,0,0]=4 26 B8R1.5 C1=CN=CC(=C1N)N S4622 [1,1,0,0,0,0|2,0,0]=4 27 B8R1.5 CC1=C(O)C=CC=C1 S6199 [1,1,0,0,0,0|0,0,0]=2 28 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [0,2,0,0,0,0|1,0,0]=3 29 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [0,2,0,0,0,0|0,0,0]=2 30 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [0,2,0,0,0,0|0,0,0]=2 31 B10R1.3 COC1=CC=C(C=C1)C=O S5086 [0,2,0,0,0,0|0,0,1]=3 32 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [0,2,0,0,0,0|1,0,0]=3 33 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [0,2,0,0,0,0|1,0,0]=3 34 B10R1.13 C1=CC(=CC=C1C(=O)O)O S3754 [0,2,0,0,0,0|0,0,0]=2 35 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O S6196 [0,2,0,0,0,0|0,0,1]=3 36 B10R1.13 C1=CC(=O)NC=C1C(=O)O S6285 [0,2,0,0,0,0|1,0,1]=4 37 B10R1.13 CC1=CC=C(C=C1)C(C)C S5598 [0,2,0,0,0,0|2,0,0]=4 38 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CO S6067 [0,2,0,0,0,0|1,0,0]=3 39 B10R1.176 C1=C(OC=C(C1=O)O)CO S5174 [0,2,0,0,0,0|1,0,0]=3 40 B10R1.176 C1=CC(=C(C=C1C=O)O)O S3952 [0,2,0,0,0,0|0,0,1]=3 41 B10R1.22 CC1=CC(=CC(=C1Cl)C)O S4518 [0,2,0,0,0,0|1,0,0]=3 42 B10R1.22 CC1=CC(=CC(=C1Cl)C)O S4518 [0,2,0,0,0,0|1,0,0]=3 43 B10R1.118 C1=C(C(=CC(=C1N)N)N)N S5321 [0,2,0,0,0,0|2,0,0]=4