0  B10R1.61  CC1=C(C(=O)O)C=NC=N1 1402 [0,0,0,0,0,0|4,0,0]=4
1  B10R1.61  NC(=O)C1=C(O)C=CN=C1 1411 [0,0,0,0,0,0|1,0,0]=1
2  B10R1.61  NC1=C(C(=O)O)C=CN=C1 1274 [0,0,0,0,0,0|3,0,0]=3
3  B10R1.61  O=C(O)C1=C(O)C=CN=C1 1401 [0,0,0,0,0,0|2,0,0]=2
4  B9R1.6  CC(=O)C1=NC=CC=N1 1413 [1,0,0,0,0,0|3,0,0]=4
5  B9R1.6  CC(N)C1=CC=CN=C1 1942 [1,0,0,0,0,0|2,0,1]=4
6  B9R1.6  CC(N)C1=CC=NC=C1 1943 [1,0,0,0,0,0|2,0,1]=4
7  B9R1.6  O=C(O)C1=CC=CN=N1 1275 [1,0,0,0,0,0|3,0,0]=4
8  B11R1.87  NC1=C(P(=O)(O)O)C=CC=C1 1683 [0,1,0,0,0,0|3,0,0]=4
9  B11R1.87  O=P(O)(O)C1=C(Br)C=CC=C1 1458 [0,1,0,0,0,0|3,0,0]=4
10  B11R1.87  O=P(O)(O)C1=CC=CC=C1O 1462 [0,1,0,0,0,0|2,0,0]=3
11  B11R1.222  COC(=O)C1=C(O)C=CN=C1 1410 [0,1,0,0,0,0|2,0,0]=3
12  B11R2.1  ClC1=CSC2=CC=CC=C12 1776 [0,0,0,1,0,0|2,1,0]=4
13  B11R2.1  OC1=NNC2=CC=CC=C21 1563 [0,0,0,1,0,0|1,0,2]=4
14  B8R1.2  NNC1=CC=NC=C1 1646 [2,0,0,0,0,0|2,0,0]=4
15  B12R1.511  CC1=CC(C)=C(O)C([N+](=O)[O-])=C1 1465 [0,2,0,0,0,0|2,0,0]=4
16  B12R1.354  NC1=CC(C(=O)NO)=C(O)C=C1 1404 [0,2,0,0,0,0|0,0,0]=2
17  B8R1.7  NC(=O)C1=NC=CS1 1616 [1,0,0,0,1,0|2,0,0]=4