0  B14R2.19  NC1=NNC(CC2=CC=CC=C2)=N1 73819 [1,0,0,0,0,0|2,0,1]=4
1  B14R2.19  O=C1C[C@H](CC2=CC=CC=C2)CO1 I11257 [1,0,0,0,0,0|2,0,0]=3
2  B14R2.19  O=C1N[C@@H](CC2=CC=CC=C2)CO1 26562 [1,0,0,0,0,0|1,0,1]=3
3  B14R2.19  O=C1N[C@@H](CC2=CC=CC=C2)CO1 26565 [1,0,0,0,0,0|1,0,1]=3
4  B14R2.19  S=C1N=C(CC2=CC=CC=C2)CS1 56386 [1,0,0,0,0,0|1,1,1]=4
5  B14R2.19  S=C1N[C@@H](CC2=CC=CC=C2)CS1 65775 [1,0,0,0,0,0|1,1,1]=4
6  B14R2.19  S=C1N[C@@H](CC2=CC=CC=C2)CS1 65778 [1,0,0,0,0,0|1,1,1]=4
7  B14R2.50  ClC1=C(C[C@H]2CCNC2)C=CC=C1 AR1436 [1,0,0,0,0,0|2,0,1]=4
8  B14R1.837  COC(=O)CCCC1=C(O)C=CC=C1 D83920 [0,0,1,0,0,0|3,0,0]=4
9  B14R2.256  NC1=NC(C2=C(Cl)C=CC=C2)=CS1 86928 [0,0,0,0,1,0|0,1,2]=4
10  B13R1.337  CC(=O)OCCCC1=CC=CC=C1 D78382 [1,0,1,0,0,0|2,0,0]=4
11  B13R1.718  COC(=O)CCCC1=CC=CC=C1 F51620 [1,0,1,0,0,0|2,0,0]=4
12  B15R2.98  NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 56001 [1,1,0,0,0,0|1,0,1]=4
13  B13R1.202  C[C@H](OC1=C(Cl)C=CC=C1)C(=O)O AR3830 [0,0,1,0,1,0|2,0,0]=4
14  B13R1.202  N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O 34724 [0,0,1,0,1,0|2,0,0]=4
15  B13R1.202  N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O H10421 [0,0,1,0,1,0|2,0,0]=4
16  B13R1.202  N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O N10780 [0,0,1,0,1,0|2,0,0]=4
17  B13R1.528  COC(=O)CCC1=C(Br)C=CC=C1 AB3933 [0,0,1,0,1,0|1,1,0]=4
18  B13R1.528  COC(=O)CCC1=C(F)C=CC=C1 AB9717 [0,0,1,0,1,0|1,1,0]=4
19  B13R2.10  O=C1N[C@H](C2=CC=CC=C2)CO1 22501 [1,0,0,0,1,0|1,0,1]=4
20  B13R2.10  O=C1N[C@H](C2=CC=CC=C2)CO1 22502 [1,0,0,0,1,0|1,0,1]=4
21  B13R2.10  O=C1N[C@H](C2=CC=CC=C2)CO1 71239 [1,0,0,0,1,0|1,0,1]=4