0  B13R1.547  O=C([O-])C1=C(C(=O)O[O-])C=CC=C1 D77635 [0,0,0,0,0,0|4,0,0]=4
1  B12R1.77  COC(=O)C1=C(NN)C=CC=C1 20533 [1,0,0,0,0,0|1,0,0]=2
2  B12R1.261  CC(C)C1=C(C(C)C)C=CC=C1 D89744 [1,0,0,0,0,0|2,0,1]=4
3  B12R1.261  CN(C)C1=C(B(O)O)C=CC=C1 AC1046 [1,0,0,0,0,0|1,0,1]=3
4  B12R1.261  O=C(O)C1=C(C(=O)O)C=CC=C1 D91939 [1,0,0,0,0,0|3,0,0]=4
5  B14R1.623  CCOC(=O)C1=C(N(C)C)C=CN=C1 E71655 [0,1,0,0,0,0|1,0,0]=2
6  B14R2.1131  COC1=CC=C(C)C2=CC=CC=C12 T72156 [0,0,0,1,0,0|2,0,1]=4
7  B14R1.744  COC(=O)C1=C(NC(C)=O)C=CC=C1 D91577 [0,0,0,0,0,1|2,0,0]=3
8  B11R1.53  CNC1=C(C(=O)O)C=CC=N1 AC7951 [2,0,0,0,0,0|1,0,0]=3
9  B11R1.53  CSC1=C(C(C)=O)C=CC=C1 S10954 [2,0,0,0,0,0|1,0,0]=3
10  B11R1.53  O=C(O)C1=C(CBr)C=CC=C1 FD17072 [2,0,0,0,0,0|2,0,0]=4
11  B11R1.222  CCC(=O)C1=C(N)C=CC=C1 F13138 [2,0,0,0,0,0|1,0,0]=3
12  B11R1.222  CNC(=O)C1=NC=CC=C1C D75083 [2,0,0,0,0,0|2,0,0]=4
13  B11R1.222  COC(=O)C1=CC=CN=C1I 78871 [2,0,0,0,0,0|2,0,0]=4
14  B13R1.382  COC(=O)C1=C(N=C=O)C=CC=C1 AT26500 [1,1,0,0,0,0|0,0,2]=4
15  B13R1.464  C#CC1=C(C(=O)OCC)C=CC=C1 A50668 [1,1,0,0,0,0|1,0,1]=4
16  B13R1.464  CCOC(=O)C1=C(CC)C=CC=C1 W18909 [1,1,0,0,0,0|1,0,0]=3
17  B13R1.2209  COC(=O)C1=C(C=O)C=CC(Cl)=C1 98204 [1,1,0,0,0,0|2,0,0]=4
18  B13R1.2209  COC(=O)C1=CC(Cl)=CN=C1OC CL4540 [1,1,0,0,0,0|2,0,0]=4
19  B15R1.1274  CCOC(=O)NC1=C(C(C)=O)C=CC=C1 71981 [0,1,0,0,0,1|2,0,0]=4
20  B13R2.5252  O=C1CCCSC2=C1C=CC=C2 D85489 [1,0,0,1,0,0|2,0,0]=4
21  B15R2.23388  COC(=O)[C@@H]1CC(=O)C2=C1C=CC=C2 F16790 [0,0,0,1,0,1|2,0,0]=4
22  B15R2.61763  CC1(C)C(=O)OC(=O)C2=C1C=CC=C2 O11118 [0,1,0,1,0,0|1,0,1]=4
23  B11R1.59  CCN1C=CC=C1C(=O)OC AT25271 [1,0,0,0,1,0|2,0,0]=4
24  B11R1.59  COC(=O)C1=CSC=C1OC D95808 [1,0,0,0,1,0|2,0,0]=4
25  B13R1.543  COC(=O)C1=CC(N(C)C)=CC=C1 S11690 [0,0,0,0,1,1|0,0,0]=2
26  B15R1.1108  COC(=O)COC1=C(C(C)=O)C=CC=C1 AC6813 [0,0,0,0,0,2|2,0,0]=4