0  B12R1.256  CC(C)C1=CC=C(C(C)N)C=C1 3006173 [0,0,0,0,0,0|1,0,1]=2
1  B11R1.3  CSC1=CC=C(C(=N)N)C=C1 4088176 [1,0,0,0,0,0|3,0,0]=4
2  B11R1.3  NCC1=CC=C(C(N)=O)C=C1 4030428 [1,0,0,0,0,0|2,0,0]=3
3  B13R1.120  CC1=NC(C(C)C)=NC=C1C(=O)O 4035107 [0,1,0,0,0,0|3,0,0]=4
4  B13R1.338  CC(N)C1=CC=C(S(C)(=O)=O)C=C1 4089704 [0,1,0,0,0,0|2,0,0]=3
5  B13R2.428  OB(O)C1=CC=C(C2CC2)C=C1 4038021 [0,0,0,1,0,0|2,0,1]=4
6  B11R1.175  CC(C)C1=CC(C(=O)O)=CS1 3007509 [0,0,0,0,1,0|2,0,0]=3
7  B11R1.175  CC(C)C1=CSC(C(=O)O)=N1 4090257 [0,0,0,0,1,0|3,0,0]=4
8  B13R1.585  CN(C)CC1=CC=C(C(=O)O)C=C1 4089981 [0,0,0,0,0,1|2,0,0]=3
9  B10R1.3  CCC1=CC=C(C=O)N=C1 4019624 [2,0,0,0,0,0|1,0,0]=3
10  B10R1.13  CC(=O)C1=NC=C(C)C=C1 4088632 [2,0,0,0,0,0|1,0,0]=3
11  B10R1.13  CC(C)C1=CNC(=O)N=C1 4089680 [2,0,0,0,0,0|2,0,0]=4
12  B10R1.13  CC1=CC=C(C(C)N)C=C1 3002653 [2,0,0,0,0,0|1,0,0]=3
13  B10R1.13  CC1=NC=C(C(C)N)C=C1 4014888 [2,0,0,0,0,0|2,0,0]=4
14  B12R1.5  CNC(=O)C1=CC=C(CN)C=C1 4089085 [1,1,0,0,0,0|1,0,0]=3
15  B12R1.6  COC1=CC=C(C(C)(C)N)C=C1 4089640 [1,1,0,0,0,0|1,0,0]=3
16  B12R1.113  CCCC1=CC=C(C(C)N)C=C1 3006607 [1,1,0,0,0,0|1,0,1]=4
17  B12R1.113  CCOC1=CC=C(C(=O)O)C=N1 3002371 [1,1,0,0,0,0|2,0,0]=4
18  B12R1.113  CNCC1=CC=C(C(=O)O)C=C1 4089273 [1,1,0,0,0,0|1,0,0]=3
19  B12R1.111  CC(C)C1=CC(C(N)=O)=C(N)S1 3007467 [0,1,0,0,1,0|2,0,0]=4
20  B12R1.111  CC1=C(C(=O)O)C=C(C(C)C)O1 9071314 [0,1,0,0,1,0|2,0,0]=4
21  B12R1.254  CC(C)(C)C1=CC=C(C(=O)O)O1 3002551 [0,1,0,0,1,0|2,0,0]=4
22  B12R1.359  CC(C)C1=CC(C(=O)NN)=CS1 3007508 [0,1,0,0,1,0|2,0,0]=4
23  B14R1.806  CC(C)CC1=CC=C(S(=O)(=O)Cl)C=C1 3001643 [0,1,0,0,0,1|2,0,0]=4
24  B14R2.601  CC1CC2=C(C=CC(C(=O)O)=C2)O1 4027432 [0,0,0,1,0,1|1,0,0]=3
25  B14R2.601  CC1CC2=C(C=CC(C(C)N)=C2)O1 4088117 [0,0,0,1,0,1|1,0,1]=4
26  B10R1.31  CC(C)C1=NC(C=O)=CO1 4037305 [1,0,0,0,1,0|2,0,0]=4
27  B10R1.31  CCC1=CC(C(=O)O)=CS1 3007503 [1,0,0,0,1,0|2,0,0]=4
28  B10R1.31  CCC1=CC=C(C(=O)O)N1 4043364 [1,0,0,0,1,0|2,0,0]=4