0  B9R1.11  COC(=O)c1ccco1 T8022 [0,0,0,0,0,0|0,0,0]=0
1  B8R1.7  O=C(O)C1=NC=NN1 T1371 [1,0,0,0,0,0|3,0,0]=4
2  B8R1.7  O=C(O)c1ccco1 T5544 [1,0,0,0,0,0|0,0,0]=1
3  B8R1.7  O=C(O)c1ccoc1 T5277 [1,0,0,0,0,0|2,0,0]=3
4  B8R1.7  O=C(O)c1cnsc1 T4675 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.15  C=CC(=O)C1=CC=CC=C1 T20607 [0,0,0,0,0,1|2,0,1]=4
6  B10R1.15  CNC(=O)c1cccnc1 T5233 [0,0,0,0,0,1|2,0,0]=3
7  B10R1.15  COC(=O)C1=CCCNC1 T5805 [0,0,0,0,0,1|1,0,2]=4
8  B10R1.15  COC(=O)c1cccnc1 T5562 [0,0,0,0,0,1|1,0,0]=2
9  B10R1.15  NNC(=O)C1=CC=CC=N1 T1374 [0,0,0,0,0,1|3,0,0]=4
10  B10R1.15  NNC(=O)c1cccnc1 T0664 [0,0,0,0,0,1|3,0,0]=4
11  B10R1.15  NNC(=O)c1ccncc1 T0972 [0,0,0,0,0,1|3,0,0]=4
12  B7R0.4  C\C=C\C=C\C(=O)O T8019 [1,0,1,0,0,0|1,0,0]=3
13  B7R0.4  C\C=C\C=C\C(=O)[O-] T4807 [1,0,1,0,0,0|1,0,1]=4
14  B9R0.24  COC(=O)\C=C\C(=O)OC T0492 [0,1,1,0,0,0|2,0,0]=4
15  B11R1.16  O=C(CCCl)c1ccccc1 T1342 [0,1,0,0,0,1|2,0,0]=4
16  B11R1.16  O=C(NCO)c1cccnc1 T7869 [0,1,0,0,0,1|2,0,0]=4
17  B11R1.22  CCC(=O)c1ccc(O)cc1 T0021 [0,1,0,0,0,1|2,0,0]=4
18  B11R1.22  COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,1|1,0,0]=3
19  B11R1.23  COC(=O)c1cncc(C)c1 T0548 [0,1,0,0,0,1|1,0,0]=3
20  B11R1.222  COC(=O)C1=NC=CN=C1N T22363 [0,1,0,0,0,1|1,0,0]=3
21  B11R1.222  COC(=O)c1ccccc1N TN1925 [0,1,0,0,0,1|1,0,0]=3
22  B11R1.222  COC(=O)c1ccccc1O T0399 [0,1,0,0,0,1|1,0,0]=3
23  B9R1.3  Cc1cccc(O)c1O T3742 [0,0,1,1,0,0|1,0,1]=4
24  B9R1.5  O=C1C=CC=CC=C1O T8087 [0,0,1,1,0,0|1,0,1]=4
25  B9R1.15  COc1ccccc1O T1301 [0,0,1,1,0,0|1,0,0]=3
26  B9R1.15  COc1ccccc1O T3267 [0,0,1,1,0,0|1,0,0]=3
27  B11R2.1  O=C1CCc2ccccc21 T0564 [0,0,0,1,0,1|2,0,0]=4
28  B9R1.6  CC(=O)c1ccccc1 T7446 [1,0,0,0,0,1|1,0,0]=3
29  B9R1.6  CC(=O)c1cnccn1 T5596 [1,0,0,0,0,1|1,0,0]=3
30  B9R1.6  NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,0,1|2,0,0]=4
31  B9R1.6  NC(=O)C1=CC=CC=N1 T6942 [1,0,0,0,0,1|2,0,0]=4
32  B9R1.6  NC(=O)C1=CC=NC=C1 T0552 [1,0,0,0,0,1|2,0,0]=4
33  B9R1.6  NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,1|2,0,0]=4
34  B9R1.6  NC(=O)c1cnccn1 T1426 [1,0,0,0,0,1|2,0,0]=4
35  B9R1.6  O=C(O)c1ccccc1 T0833 [1,0,0,0,0,1|1,0,0]=3
36  B9R1.6  O=C(O)c1ccccn1 T4850 [1,0,0,0,0,1|1,0,0]=3
37  B9R1.6  O=C(O)c1cccnc1 T0879 [1,0,0,0,0,1|1,0,0]=3
38  B9R1.6  O=C(O)c1ccncc1 Fr13756 [1,0,0,0,0,1|1,0,0]=3
39  B9R1.6  O=C(O)c1cnccn1 T0569 [1,0,0,0,0,1|1,0,0]=3
40  B9R1.6  O=C([O-])c1ccccc1 T8124 [1,0,0,0,0,1|1,0,1]=4
41  B9R1.6  O=C([O-])c1ccccn1 T4575 [1,0,0,0,0,1|1,0,1]=4