0  B10R1.61  CC(=O)C1=CC=CC=C1O TCS1856 [0,0,0,0,0,0|3,0,0]=3
1  B10R1.61  Cc1ccccc1C(=O)O T8068 [0,0,0,0,0,0|3,0,0]=3
2  B10R1.61  NC(=O)C1=CC=CC=C1O T0004 [0,0,0,0,0,0|4,0,0]=4
3  B10R1.61  O=C(O)C1=NC=CC=C1S T12929 [0,0,0,0,0,0|3,0,0]=3
4  B10R1.61  O=C(O)c1ccccc1O T0649 [0,0,0,0,0,0|4,0,0]=4
5  B10R1.61  O=C(O)c1ncccc1O T5986 [0,0,0,0,0,0|3,0,0]=3
6  B10R1.61  O=C([O-])c1ccccc1O T0335 [0,0,0,0,0,0|4,0,0]=4
7  B10R1.61  O=C([O-])c1ccccc1[O-] T0424 [0,0,0,0,0,0|4,0,0]=4
8  B9R1.6  CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|2,0,0]=3
9  B9R1.6  CC(=O)c1cnccn1 T5596 [1,0,0,0,0,0|0,0,0]=1
10  B9R1.6  NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,0,0|3,0,0]=4
11  B9R1.6  NC(=O)C1=CC=CC=N1 T6942 [1,0,0,0,0,0|2,0,0]=3
12  B9R1.6  NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,0|2,0,0]=3
13  B9R1.6  NC(=O)c1cnccn1 T1426 [1,0,0,0,0,0|1,0,0]=2
14  B9R1.6  O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|3,0,0]=4
15  B9R1.6  O=C(O)c1ccccn1 T4850 [1,0,0,0,0,0|2,0,0]=3
16  B9R1.6  O=C(O)c1cccnc1 T0879 [1,0,0,0,0,0|2,0,0]=3
17  B9R1.6  O=C(O)c1cnccn1 T0569 [1,0,0,0,0,0|1,0,0]=2
18  B9R1.6  O=C([O-])c1ccccc1 T8124 [1,0,0,0,0,0|3,0,0]=4
19  B9R1.6  O=C([O-])c1ccccn1 T4575 [1,0,0,0,0,0|2,0,0]=3
20  B11R1.53  COc1ccccc1C(=O)O T5874 [0,1,0,0,0,0|3,0,0]=4
21  B11R1.166  CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,1,0,0,0,0|3,0,0]=4
22  B11R1.166  CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,0|3,0,0]=4
23  B11R1.167  CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [0,1,0,0,0,0|3,0,0]=4
24  B11R1.167  NC(=O)c1nc(F)cnc1O T6833 [0,1,0,0,0,0|2,0,0]=3
25  B11R1.222  COC(=O)C1=NC=CN=C1N T22363 [0,1,0,0,0,0|1,0,0]=2
26  B11R1.222  COC(=O)c1ccccc1N TN1925 [0,1,0,0,0,0|3,0,0]=4
27  B11R1.222  COC(=O)c1ccccc1O T0399 [0,1,0,0,0,0|3,0,0]=4
28  B11R2.1  O=C1CCc2ccccc21 T0564 [0,0,0,1,0,0|2,0,0]=3
29  B9R1.41  NC(=O)C1=C(O)NC=N1 T19214 [0,0,0,0,1,0|2,0,1]=4
30  B8R1.2  O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|2,0,0]=4
31  B10R1.13  CC(=O)C1=CC=C(O)C=C1 T3750 [1,1,0,0,0,0|2,0,0]=4
32  B10R1.13  NC(=O)c1ccc(N)nc1 T7545 [1,1,0,0,0,0|2,0,0]=4
33  B10R1.13  Nc1ccc(C(=O)O)cn1 T7919 [1,1,0,0,0,0|2,0,0]=4
34  B10R1.13  O=C(O)C1=NC=C(O)N=C1 T10171 [1,1,0,0,0,0|1,0,0]=3
35  B10R1.13  O=C(O)c1ccc(O)nc1 T4816 [1,1,0,0,0,0|2,0,0]=4
36  B10R1.15  CNC(=O)c1cccnc1 T5233 [1,1,0,0,0,0|1,0,0]=3
37  B10R1.15  COC(=O)c1cccnc1 T5562 [1,1,0,0,0,0|1,0,0]=3
38  B10R1.15  NNC(=O)C1=CC=CC=N1 T1374 [1,1,0,0,0,0|2,0,0]=4
39  B10R1.15  NNC(=O)c1cccnc1 T0664 [1,1,0,0,0,0|2,0,0]=4
40  B12R1.75  CSc1ccccc1NC(C)=O T2031 [0,1,0,0,0,1|2,0,0]=4
41  B12R2.24  O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,1|2,0,0]=4
42  B12R2.24  O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,1|2,0,0]=4
43  B8R1.7  O=C(O)C1=NC=NN1 T1371 [1,0,0,0,1,0|2,0,0]=4
44  B8R1.7  O=C(O)c1ccco1 T5544 [1,0,0,0,1,0|2,0,0]=4
45  B8R1.7  O=C(O)c1ccoc1 T5277 [1,0,0,0,1,0|2,0,0]=4
46  B8R1.7  O=C(O)c1cnsc1 T4675 [1,0,0,0,1,0|2,0,0]=4
47  B8R1.11  CSc1nccn1C T8612 [1,0,0,0,1,0|2,0,0]=4