0  B14R2.781  CC(=O)c1ccc2ccccc2c1 M27296 [0,0,0,0,0,0|0,0,0]=0
1  B14R2.781  O=C(O)c1ccc2ccccc2n1 M19672 [0,0,0,0,0,0|2,0,0]=2
2  B13R2.57  C=Cc1ccc2ncccc2c1 M28424 [1,0,0,0,0,0|1,0,1]=3
3  B13R2.57  COC1=CC2=CC=CC=C2C=C1 M16659 [1,0,0,0,0,0|1,0,0]=2
4  B15R2.627  O=C(O)c1ccc2ccccc2c1O M19667 [0,1,0,0,0,0|1,0,0]=2
5  B15R2.984  CC(=O)c1cc2ccccc2oc1=O M22649 [0,1,0,0,0,0|1,0,0]=2
6  B15R2.984  O=C(O)C1=CC2=CC=CC=C2OC1=O M18749 [0,1,0,0,0,0|2,0,0]=3
7  B15R2.14951  O=C(O)C1=CC(=O)C2=CC=CC=C2N1 M18648 [0,1,0,0,0,0|2,0,0]=3
8  B15R2.14951  O=C(O)C1=CC(=O)C2=CC=CC=C2O1 M14654 [0,1,0,0,0,0|2,0,0]=3
9  B15R2.61353  O=C(O)c1ccc2cccc(O)c2n1 M27330 [0,1,0,0,0,0|2,0,0]=3
10  B13R1.90  COC1=CC=CC=C1\C=C\C(=O)O M17731 [0,0,1,0,0,0|2,0,1]=4
11  B13R2.430  O=C(O)C1=CC2=C(C=C1)N=CO2 M23665 [0,0,0,0,1,0|3,0,0]=4
12  B12R1.121  COc1ccccc1\C=C\C=O M20879 [1,0,1,0,0,0|1,0,1]=4
13  B12R1.125  O=C(O)\C=C\c1ccccc1O M21301 [1,0,1,0,0,0|2,0,0]=4
14  B12R1.27  COC(=O)\C=C\c1ccccc1 M20228 [1,0,1,0,0,0|2,0,0]=4
15  B12R2.24  O=C1C=CC2=CC=CC=C2O1 M16582 [2,0,0,0,0,0|1,0,0]=3
16  B12R2.24  OC1=CC=C2C=CC=CC2=C1 M11424 [2,0,0,0,0,0|0,0,1]=3
17  B14R2.134  COc1ccc2ccc(=O)oc2c1 M18747 [1,1,0,0,0,0|2,0,0]=4
18  B14R2.142  O=Cc1ccc2cccc(O)c2n1 M18027 [1,1,0,0,0,0|1,0,0]=3
19  B14R2.2332  COC1=CC2=C(C=C1)C=C(Br)C=C2 M14761 [1,1,0,0,0,0|1,0,0]=3
20  B14R2.300  O=C(O)C1=CNC2=C1C=CC(Br)=C2 M29541 [0,1,0,0,1,0|2,0,0]=4
21  B16R2.126889  O=C(O)c1cc2cccc(O)c2cc1O M21655 [0,2,0,0,0,0|1,0,0]=3
22  B16R2.133406  O=C(O)C1=CC(O)=C2C=CC(Cl)=CC2=N1 M26039 [0,2,0,0,0,0|2,0,0]=4
23  B16R2.7486  COC1=CC2=C(C=C1)C=C(C(=O)O)C=C2 M13723 [0,2,0,0,0,0|1,0,0]=3
24  B16R2.7486  COC1=CC2=C(C=C1)C=C(C(C)=O)C=C2 M14343 [0,2,0,0,0,0|0,0,0]=2
25  B16R2.7486  COC1=CC2=C(C=C1)C=C(C(C)O)C=C2 M15920 [0,2,0,0,0,0|0,0,2]=4
26  B16R2.27376  CC(=O)c1ccc2c(c1)C=CC(C)(C)O2 M26149 [0,2,0,0,0,0|1,0,1]=4
27  B16R2.22890  O=C(O)C1=CC(=O)C2=C(N1)C(O)=CC=C2 M15182 [0,2,0,0,0,0|2,0,0]=4
28  B14R2.31359  O=C(O)c1ccnc2ccccc12 M19607 [0,0,1,1,0,0|2,0,0]=4
29  B16R3.335  Nc1nc2c(ccc3ccccc32)s1 M20078 [0,0,0,1,0,1|2,0,0]=4
30  B12R2.1  O=Cc1coc2ccccc12 M21266 [1,0,0,0,1,0|1,0,0]=3