0  B13R1.21  NC1=CC=C(C(O)C(O)CO)C=C1 8289AE [0,0,0,0,0,0|1,0,0]=1
1  B12R1.16  CC1=CC=C([C@@H](N)CCO)C=C1 1299AL [1,0,0,0,0,0|2,0,0]=3
2  B12R1.16  CCC[C@H](N)C1=CC=C(F)C=C1 W5405 [1,0,0,0,0,0|3,0,0]=4
3  B12R1.20  CC(C(=O)O)C1=CC=C(N)C=C1 8848AB [1,0,0,0,0,0|2,0,1]=4
4  B12R1.20  CC(C)[C@H](N)C1=CC=C(F)C=C1 3802AA [1,0,0,0,0,0|3,0,0]=4
5  B12R1.20  O=C(O)[C@@H](O)C1=CC=C(Br)C=C1 2744AD [1,0,0,0,0,0|2,0,1]=4
6  B12R1.20  O=C(O)[C@H](O)C1=CC=C(Br)C=C1 0174AE [1,0,0,0,0,0|2,0,1]=4
7  B12R1.49  N[C@@H](CO)CC1=CC=C(F)C=C1 4252AB [1,0,0,0,0,0|1,0,0]=2
8  B12R1.49  N[C@@H](CO)CC1=CC=C(I)C=C1 0762AB [1,0,0,0,0,0|1,0,0]=2
9  B14R1.132  O=C(O)C(O)C(O)C1=CC=C(O)C=C1 W2093 [0,1,0,0,0,0|2,0,1]=4
10  B14R2.926  N[C@H]1CCC[C@H]1C2=CC=C(I)C=C2 5197AA [0,0,0,1,0,0|3,0,0]=4
11  B11R1.1  NC1=CC=C(CCCO)C=C1 2833AC [2,0,0,0,0,0|0,0,0]=2
12  B11R1.1  NC1=NC=C(CCCO)C=N1 0586AQ [2,0,0,0,0,0|2,0,0]=4
13  B11R1.1  OCCCC1=CC=C(Cl)N=C1 2859AA [2,0,0,0,0,0|2,0,0]=4
14  B11R1.16  C=CCC(O)C1=CC=CC=C1 4955AL [2,0,0,0,0,0|1,0,1]=4
15  B11R1.16  N[C@@H](CCO)C1=CC=CC=C1 2792AC [2,0,0,0,0,0|1,0,0]=3
16  B11R1.22  CC(CN)C1=CC=C(Cl)C=C1 1725AC [2,0,0,0,0,0|2,0,0]=4
17  B11R1.22  CCC(O)C1=CC=C(Br)C=C1 1423AL [2,0,0,0,0,0|1,0,0]=3
18  B11R1.22  OC[C@H](O)C1=CC=C(Cl)C=C1 X3150 [2,0,0,0,0,0|1,0,0]=3
19  B11R1.20  CC(N)CC1=CC=C(O)C=C1 2498AL [2,0,0,0,0,0|1,0,0]=3
20  B11R1.36  CC(C)C(C)C1=CC=CC=C1 3972AL [2,0,0,0,0,0|2,0,0]=4
21  B11R1.36  CC(C)[C@H](N)C1=CC=CC=C1 W7886 [2,0,0,0,0,0|2,0,0]=4
22  B11R1.40  O=C(CO)CC1=CC=CC=C1 6761AB [2,0,0,0,0,0|1,0,1]=4
23  B13R1.17  NC1=CC=C(C(=O)CCCO)C=C1 9455AH [1,1,0,0,0,0|0,0,2]=4
24  B13R1.263  CC(C)(CO)[C@@H](N)C1=CC=CC=C1 4914AD [1,1,0,0,0,0|2,0,0]=4
25  B13R1.263  CC(C)(CO)[C@H](N)C1=CC=CC=C1 0345AF [1,1,0,0,0,0|2,0,0]=4
26  B13R2.5179  NC1CCOC2=C1C=CC(F)=C2 2124AC [1,0,0,1,0,0|2,0,0]=4
27  B13R2.5179  N[C@@H]1CCOC2=CC(F)=CC=C21 5224AC [1,0,0,1,0,0|2,0,0]=4
28  B13R2.3683  NC1CCC2=C(C=CC(Br)=C2)C1 8535AA [1,0,0,1,0,0|2,0,0]=4
29  B15R2.22  OC[C@@H]1CNC[C@H]1C2=CC=C(Cl)C=C2 1308AD [0,1,0,1,0,0|2,0,0]=4