0  B14R1.686  NC(CC1=CC(=C(C=C1)O)O)B(O)O ACS019384 [0,0,0,0,0,0|1,0,1]=2
1  B13R1.133  ClC1=CC=C(C[C@@H](N)C(=O)O)C=C1 ACS011484 [1,0,0,0,0,0|1,0,0]=2
2  B13R1.133  NC(C(=O)O)CC1=CC=C(C=C1)Br ACS013006 [1,0,0,0,0,0|1,0,0]=2
3  B13R1.133  NC(CC1=CC=C(C=C1)C)B(O)O ACS019381 [1,0,0,0,0,0|2,0,1]=4
4  B13R1.133  NC(CC1=CC=C(C=C1)F)B(O)O ACF019382 [1,0,0,0,0,0|2,0,1]=4
5  B13R1.133  N[C@@H](CC1=CC=C(C=C1)O)C(=O)O ACS011627 [1,0,0,0,0,0|0,0,0]=1
6  B13R1.148  N[C@H](C(=O)O)CC1=CC(=CC=C1)Br ACS011879 [1,0,0,0,0,0|1,0,0]=2
7  B13R1.511  FC=1C=C(C=CC1F)CCC(=O)O ACF013013 [1,0,0,0,0,0|2,0,0]=3
8  B12R1.21  FC1=CC=C(C=C1)SCC(=O)O ACF015588 [2,0,0,0,0,0|2,0,0]=4
9  B12R1.21  OC1=CC=C(C=C1)CCC(C)=O ACS011998 [2,0,0,0,0,0|1,0,0]=3
10  B12R1.43  C1(=CC=CC=C1)NC(C(=O)O)C ACS011814 [2,0,0,0,0,0|2,0,0]=4
11  B12R1.43  NC(CC1=CC=CC=C1)B(O)O ACS019379 [2,0,0,0,0,0|1,0,1]=4
12  B12R1.43  N[C@@H](CC1=CC=CC=C1)B(O)O ACS019412 [2,0,0,0,0,0|1,0,1]=4
13  B12R1.43  N[C@@H](CC1=CC=CC=C1)B(O)O ACS019413 [2,0,0,0,0,0|1,0,1]=4
14  B12R1.43  c1cnccc1C[C@@H](C(=O)O)N ACS011731 [2,0,0,0,0,0|1,0,0]=3
15  B12R1.226  CC=1C=C(OCC(=O)O)C=CC1 ACS024417 [2,0,0,0,0,0|2,0,0]=4
16  B12R1.226  c1cc(cc(c1)Cl)CCC(=O)O ACS013010 [2,0,0,0,0,0|1,0,0]=3
17  B12R1.226  c1cc(cc(c1)F)CCC(=O)O ACF013015 [2,0,0,0,0,0|1,0,0]=3
18  B14R1.3  N[C@@H](CC1=CC=C(C=C1)OC)B(O)O ACS019414 [1,1,0,0,0,0|1,0,1]=4
19  B14R1.15551  c1c(cc(c(c1F)F)F)C(C(=O)O)N ACF012906 [0,1,0,0,1,0|2,0,0]=4
20  B16R1.4274  NC(CC1=CC(=C(C=C1)OC)OC)B(O)O ACS019385 [0,2,0,0,0,0|1,0,1]=4
21  B16R1.4274  N[C@H](C(=O)O)CC1=CC(=C(C=C1)OC)OC ACS012160 [0,2,0,0,0,0|0,0,0]=2
22  B14R2.4402  FC1=CC=C(C=C1)[C@@H]2[C@@H](C2)C(=O)O ACF022657 [1,0,0,1,0,0|2,0,0]=4
23  B12R1.20  BrC(C(=O)O)C1=CC=C(C=C1)Cl ACS012910 [1,0,0,0,1,0|2,0,0]=4
24  B12R1.20  ClC1=CC=C(C=C1)C(C(=O)O)O ACS012941 [1,0,0,0,1,0|2,0,0]=4
25  B12R1.20  FC1=CC=C([C@@H](N)C(=O)O)C=C1 ACF010859 [1,0,0,0,1,0|1,0,0]=3
26  B12R1.20  OC(C(=O)O)C1=CC=C(C=C1)C ACS015778 [1,0,0,0,1,0|2,0,0]=4
27  B12R1.20  OC1=CC=C([C@H](N)C(=O)O)C=C1 ACS011602 [1,0,0,0,1,0|0,0,0]=2
28  B12R1.225  C1(=CC(=CC=C1)C(C(=O)O)C)C ACS019565 [1,0,0,0,1,0|2,0,0]=4
29  B12R1.225  NC(C(=O)O)C1=CC(=CC=C1)Cl ACS012900 [1,0,0,0,1,0|1,0,0]=3