0  B10R1.119  CC1=C(C(=O)C=CN1C)O S4067 [0,0,0,0,0,0|0,0,0]=0
1  B10R1.119  CN1C=CC(=O)N(C1=O)C S6050 [0,0,0,0,0,0|3,0,0]=3
2  B9R1.3  C1=CC(=C(C(=C1)O)O)O S3885 [1,0,0,0,0,0|2,0,1]=4
3  B9R1.3  CC1=C(C(=O)C=CO1)O S4940 [1,0,0,0,0,0|1,0,0]=2
4  B9R1.3  CC1=C(C(=O)C=CO1)[O-] S2255 [1,0,0,0,0,0|1,0,1]=3
5  B9R1.69  CC1=C(C=CC(=C1)O)Cl S4209 [1,0,0,0,0,0|2,0,1]=4
6  B9R1.69  CC1=CC(=C(C=C1)O)O S5616 [1,0,0,0,0,0|1,0,1]=3
7  B8R1.4  C1=CNC(=O)NC1=O S4177 [2,0,0,0,0,0|2,0,0]=4
8  B8R1.4  C1=CNC(=S)NC1=O S3100 [2,0,0,0,0,0|2,0,0]=4
9  B8R1.4  C1=CNC(=S)NC1=O S3100 [2,0,0,0,0,0|2,0,0]=4
10  B8R1.4  CC1=CC=CC(=C1)O S6331 [2,0,0,0,0,0|1,0,0]=3
11  B8R1.5  C1=CC=C(C(=C1)O)O S6305 [2,0,0,0,0,0|1,0,1]=4
12  B8R1.5  CC1=C(O)C=CC=C1 S6199 [2,0,0,0,0,0|1,0,0]=3
13  B8R1.3  CC1=CC=C(O)C=C1 S6017 [2,0,0,0,0,0|1,0,1]=4
14  B10R1.2  CCC1=C(C(=O)C=CO1)O S6335 [1,1,0,0,0,0|1,0,0]=3
15  B8R1.18  CC1=CC(=NN1C)C S5147 [1,0,0,0,1,0|2,0,0]=4