0  B13R2.1613  NNC1=CC=CC2=C1N=CC=C2 4100060 [0,0,0,0,0,0|3,0,0]=3
1  B13R2.1613  NNC1=NC=CC2=CC=CC=C21 4033979 [0,0,0,0,0,0|1,0,0]=1
2  B13R2.1613  NNC1=NC=CC2=CC=CC=C21 4090099 [0,0,0,0,0,0|1,0,0]=1
3  B13R2.1613  NNC1=NC=NC2=CC=CC=C21 4004613 [0,0,0,0,0,0|2,0,0]=2
4  B12R2.1081  BrC1=NC=CC2=NC=CC=C12 4065156 [1,0,0,0,0,0|3,0,0]=4
5  B12R2.1081  NC1=C2C=CC=CC2=NC=N1 4031515 [1,0,0,0,0,0|2,0,0]=3
6  B14R2.1078  CC1=C2N=CC=C(NN)C2=CC=C1 4043548 [0,1,0,0,0,0|3,0,0]=4
7  B14R2.1131  CNC1=NN=C(Cl)C2=C1C=CC=C2 5654525 [0,1,0,0,0,0|1,0,0]=2
8  B14R2.1131  NCC1=NNC(=O)C2=CC=CC=C21 4110662 [0,1,0,0,0,0|1,0,1]=3
9  B12R2.1  NCC1=CN=C2C=CC=CN12 4102749 [0,0,0,0,1,0|3,0,0]=4
10  B12R2.1  NCC1=NN=C2C=CC=CN21 4030877 [0,0,0,0,1,0|2,0,0]=3
11  B12R2.1  NCC1=NNC2=NC=CC=C12 4039054 [0,0,0,0,1,0|2,0,1]=4
12  B12R2.1  NCC1=NNC2=NC=CC=C12 4108968 [0,0,0,0,1,0|2,0,1]=4
13  B11R1.222  CC1=C(\C(N)=N\O)C=CC=C1 4030196 [1,0,1,0,0,0|1,0,1]=4
14  B13R2.162  NC1=NC=NC2=CC=C(Br)C=C21 4022407 [1,1,0,0,0,0|2,0,0]=4
15  B13R2.371  CC1=NN=C(Cl)C2=CC=CC=C21 4041177 [1,1,0,0,0,0|1,0,0]=3
16  B13R2.371  CC1=NNC(=O)C2=CC=CC=C21 4036366 [1,1,0,0,0,0|1,0,1]=4
17  B13R2.371  NC1=CC=C(N)C2=CC=CC=C12 4041066 [1,1,0,0,0,0|2,0,0]=4
18  B13R2.371  NC1=CC=C(N)C2=CC=CC=C12 4088282 [1,1,0,0,0,0|2,0,0]=4
19  B13R2.371  OC1=NN=C(Cl)C2=CC=CC=C21 4027407 [1,1,0,0,0,0|1,0,0]=3
20  B13R2.1  NCCN1N=NC2=CC=CC=C21 4087807 [0,1,0,0,1,0|2,0,0]=4
21  B15R2.79765  NNC(=O)C1=CC=CC2=C1C=CC=C2 3002900 [0,2,0,0,0,0|2,0,0]=4
22  B15R2.79765  NNC(=O)C1=CC=CC2=CC=CC=C21 4045112 [0,2,0,0,0,0|2,0,0]=4
23  B13R2.15  NC1=C(C2=CC=CC=C2)NN=C1 4019943 [0,0,1,1,0,0|1,0,1]=4
24  B13R2.18  CC1=CC=CC=C1C2=NNN=N2 4029839 [0,0,1,1,0,0|0,0,2]=4
25  B13R2.18  NC1=CC=CC=C1C2=NN=NN2 4014070 [0,0,1,1,0,0|1,0,1]=4
26  B11R2.1  BrC1=NN=C2C=CC=CN12 4045654 [1,0,0,0,1,0|2,0,0]=4
27  B11R2.1  CC1=NNC2=CC=CC=C21 4041962 [1,0,0,0,1,0|1,0,1]=4
28  B11R2.1  IC1=NNC2=CC=CC=C21 4027330 [1,0,0,0,1,0|1,0,1]=4
29  B11R2.1  NC1=C2C=CC=NC2=NS1 4049786 [1,0,0,0,1,0|2,0,0]=4
30  B11R2.1  NC1=NN=C2C=CC=CN12 4006052 [1,0,0,0,1,0|1,0,0]=3
31  B11R2.1  NC1=NNC2=NC=CC=C12 4030179 [1,0,0,0,1,0|1,0,1]=4
32  B11R2.1  NC1=NOC2=C1C=CC=N2 4031139 [1,0,0,0,1,0|2,0,0]=4