0  B12R2.1081  NC1=CC=CC2=C1C=CN=C2 DB04605 [0,0,0,0,0,0|3,0,0]=3
1  B12R2.1081  OC1=CC=CC2=C1N=CC=C2 DB11145 [0,0,0,0,0,0|0,0,0]=0
2  B12R2.1081  [O-]C1=CC=CC2=C1N=CC=C2 DB09473 [0,0,0,0,0,0|0,0,1]=1
3  B11R2.20  C1=CC=C2C=NC=CC2=C1 DB04329 [1,0,0,0,0,0|2,0,0]=3
4  B13R2.32  CN1C(=O)C=CC2=CC=CC=C21 DB04580 [0,1,0,0,0,0|3,0,0]=4
5  B13R2.32  OC1=CC=C2C=CC=CC2=C1O DB07610 [0,1,0,0,0,0|1,0,0]=2
6  B13R2.32  [C@H]1(O)C=CC2=C(C=CC=C2)[C@H]1O DB08264 [0,1,0,0,0,0|1,0,2]=4
7  B13R2.328  CC1=CC(=O)OC2=CC=CC=C12 DB08785 [0,1,0,0,0,0|3,0,0]=4
8  B13R2.328  O=C1C=C(O)C2=CC=CC=C2O1 DB03410 [0,1,0,0,0,0|2,0,0]=3
9  B13R2.5179  OC1=CC=C2C(O)=CC=CC2=C1 DB07661 [0,1,0,0,0,0|1,0,0]=2
10  B11R1.13  C=CCC1=C(O)C(C)=CC=C1 DB03301 [0,0,1,0,0,0|2,0,1]=4
11  B11R2.106  OC1=NC=NC2=C1NC=C2 DB04095 [0,0,0,0,1,0|2,0,1]=4
12  B10R1.4  C=CCC1=CC=CC=C1O DB02534 [1,0,1,0,0,0|0,0,1]=3
13  B10R1.17  C=CCNC1=CC=CC=C1 DB02870 [1,0,1,0,0,0|0,0,2]=4
14  B10R1.17  O=C\C=C\C1=CC=CC=C1 DB14184 [1,0,1,0,0,0|1,0,0]=3
15  B10R1.17  OC\C=C\C1=CC=CC=C1 DB14186 [1,0,1,0,0,0|1,0,1]=4
16  B12R1.125  O=C(O)\C=C\C1=CC=CC=C1O DB01650 [0,1,1,0,0,0|2,0,0]=4
17  B12R1.261  O=C(O)C1=CC=CN=C1C(=O)O DB01796 [0,1,1,0,0,0|2,0,0]=4
18  B12R2.24  O=C1C=CC2=CC=CC=C2N1 DB04745 [1,1,0,0,0,0|0,0,1]=3
19  B12R2.24  O=C1C=CC2=CC=CC=C2O1 DB04665 [1,1,0,0,0,0|1,0,0]=3
20  B12R2.1  OCC1=CNC2=CC=CC=C12 DB12881 [0,1,0,0,1,0|2,0,0]=4
21  B14R2.7724  CC1=CC(=O)C2=CC=CC=C2C1=O DB00170 [0,2,0,0,0,0|1,0,1]=4
22  B14R2.7724  O=C1C=C(O)C(=O)C2=CC=CC=C12 DB04744 [0,2,0,0,0,0|1,0,1]=4
23  B14R2.7724  OC1=C(Cl)C=C(Cl)C2=C1N=CC=C2 DB01243 [0,2,0,0,0,0|0,0,0]=2
24  B14R2.7724  OC1=C(I)C=C(Cl)C2=C1N=CC=C2 DB04815 [0,2,0,0,0,0|0,0,0]=2
25  B14R2.7724  OC1=C2N=CC=CC2=C(I)C=C1I DB09115 [0,2,0,0,0,0|0,0,0]=2
26  B14R2.8045  CC1=NC2=C(C=CC=C2O)C(=O)N1 DB02690 [0,2,0,0,0,0|1,0,0]=3
27  B10R2.7  C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,0,1,0|0,0,1]=3
28  B10R2.7  C1=CC2=C(C=C1)OC=C2 DB04179 [1,0,0,0,1,0|1,0,0]=3
29  B10R2.7  C1=CC=C2NC=NC2=C1 DB02962 [1,0,0,0,1,0|1,0,0]=3