0  B14R1.42  COC1=C(Br)C=CC(CCC(=O)O)=C1 C90969 [0,0,0,0,0,0|2,0,0]=2
1  B15R1.4038  N[C@@H](CC1=CC(C=O)=C(O)C=C1)C(=O)O AT18678 [0,1,0,0,0,0|3,0,0]=4
2  B15R1.4038  N[C@@H](CC1=CC(CO)=C(O)C=C1)C(=O)O AT24556 [0,1,0,0,0,0|3,0,0]=4
3  B12R1.286  COC1=C(F)C=CC(CCN)=C1 AT23332 [2,0,0,0,0,0|2,0,0]=4
4  B12R1.382  C#CCCC1=CC=CC(OC)=C1 D75649 [2,0,0,0,0,0|0,0,2]=4
5  B14R1.686  NC(=O)[C@@H](N)CC1=CC(O)=C(O)C=C1 A11536 [1,1,0,0,0,0|1,0,0]=3
6  B14R1.686  NC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 Y14756 [1,1,0,0,0,0|2,0,0]=4
7  B14R1.77  COC(=O)CCC1=CC(CO)=CC=C1 D78756 [1,1,0,0,0,0|2,0,0]=4
8  B16R1.4273  COC1=C(OC)C=C([C@@H](N)CC(=O)O)C=C1 60216 [0,2,0,0,0,0|1,0,0]=3
9  B14R2.130  COC1=CC([C@H]2C[C@@H](N)C2)=CC=C1 91850 [1,0,0,1,0,0|1,0,1]=4
10  B14R2.130  COC1=CC([C@H]2C[C@H](N)C2)=CC=C1 91832 [1,0,0,1,0,0|1,0,1]=4
11  B16R2.1357  C[C@@H](CCC1=CC2=C(C=C1)OCO2)NN D87580 [0,1,0,1,0,0|1,0,1]=4
12  B12R1.438  COC1=CC(CC(=O)O)=CN=C1 AT23273 [1,0,0,0,1,0|2,0,0]=4
13  B12R1.56  COC1=C(F)C=NC(C(C)=O)=C1 AT26885 [0,0,0,0,2,0|2,0,0]=4