0  B13R2.400  NC1=NC2=C(C=C(C(=O)O)S2)S1 BB52-1747 [0,1,0,0,0,0|3,0,0]=4
1  B13R2.2334  CN1C(C(=O)O)=CC2=C1C=CO2 BB51-1025 [0,1,0,0,0,0|2,0,0]=3
2  B13R2.435  NC(=O)C1=CC2=CC=CC=C2O1 BB52-4124 [0,0,0,0,0,1|3,0,0]=4
3  B13R2.435  O=C(O)C1=NN2C=CC=CC2=C1 BB51-0827 [0,0,0,0,0,1|2,0,1]=4
4  B10R1.31  O=CC1=CC=C(C(=O)O)S1 BB51-1200 [1,0,1,0,0,0|2,0,0]=4
5  B14R2.601  CC1=CC2=C(C=C(C(=O)O)SC2)S1 BB51-1593 [0,1,0,0,0,1|1,0,1]=4
6  B14R2.601  CC1=NC2=C(C=C(C(=O)O)C=C2)S1 BB52-0734 [0,1,0,0,0,1|2,0,0]=4
7  B14R2.601  NC1=NC2=CC=C(C(=O)O)C=C2S1 BB52-0994 [0,1,0,0,0,1|2,0,0]=4
8  B14R2.966  COC(=O)C1=CC=C2C=CNC2=C1 BB52-6145 [0,1,0,0,0,1|2,0,0]=4
9  B14R2.5719  CC1=CSC2=C1CSC(C(=O)O)=C2 BB51-1594 [0,1,0,0,0,1|1,0,1]=4
10  B14R2.5998  O=C(O)C1=CN=C2SC=CN2C1=O BB52-1709 [0,1,0,0,0,1|1,0,1]=4
11  B14R2.24358  CN1C=CC2=C1C=C(C(=O)O)C=C2 BB52-0581 [0,1,0,0,0,1|2,0,0]=4
12  B14R2.450  NC1=C(C(=O)O)SC2=NC=CC=C21 BB52-5905 [0,1,0,0,0,1|2,0,0]=4
13  B14R2.4529  O=C(O)C1=NC2=CC(Cl)=CC=C2N1 BB52-8433 [0,1,0,0,0,1|2,0,0]=4
14  B14R2.4529  O=C(O)C1=NC2=CC(F)=CC=C2N1 BB52-8434 [0,1,0,0,0,1|2,0,0]=4
15  B14R2.7969  O=C(O)C1=CC2=C(Cl)C=CC=C2N1 BB52-6028 [0,1,0,0,0,1|1,0,0]=3
16  B14R2.7969  O=C(O)C1=CC2=CC=CC(Cl)=C2N1 BB52-6029 [0,1,0,0,0,1|1,0,0]=3
17  B14R2.7969  O=C(O)C1=CC2=CC=CC(F)=C2N1 BB52-6030 [0,1,0,0,0,1|1,0,0]=3
18  B14R2.648  CC1=CC2=C(C=C(C(=O)O)N2C)S1 BB51-1044 [0,2,0,0,0,0|2,0,0]=4
19  B14R2.648  CN1C(C(=O)O)=CC2=C1C=C(Br)S2 BB51-1040 [0,2,0,0,0,0|2,0,0]=4
20  B14R2.10815  COC(=O)C1=CC2=C(C=C(Br)O2)N1 BB51-1068 [0,2,0,0,0,0|2,0,0]=4
21  B14R2.10815  COC(=O)C1=CC2=C(C=C(Br)S2)N1 BB51-1179 [0,2,0,0,0,0|2,0,0]=4
22  B14R2.10815  COC(=O)C1=CC2=C(C=C(Cl)S2)N1 BB51-1181 [0,2,0,0,0,0|2,0,0]=4
23  B14R2.839  CCOC(=O)C1=CC2=C(C=CO2)N1 BB51-1065 [0,2,0,0,0,0|2,0,0]=4
24  B14R2.839  CCOC(=O)C1=CC2=C(C=CS2)N1 BB51-1178 [0,2,0,0,0,0|2,0,0]=4
25  B12R1.264  O=C(O)C(=O)NCC1=CC=CO1 BB52-9133 [0,0,1,0,0,1|1,1,0]=4
26  B14R2.781  O=C(O)C1=CC2=CC=CC=C2OC1 BB51-1488 [0,0,0,0,0,2|2,0,0]=4
27  B14R2.768  O=C(O)CC1=NC2=CC=CC=C2N1 BB52-0905 [0,0,0,0,0,2|2,0,0]=4