0  B13R2.435  FC(F)C1=NC2=C(C=CC=C2)N1 070517 [0,0,0,0,0,0|3,0,1]=4
1  B13R2.435  O=C(O)C1=CC2=CN=CN=C2N1 093651 [0,0,0,0,0,0|2,0,0]=2
2  B14R2.450  CC1=C(C(=O)O)CC2=CC=CC=C21 066538 [0,1,0,0,0,0|1,0,0]=2
3  B14R2.4529  O=C(O)C1=CN2C=C(Cl)C=CC2=N1 015250 [0,1,0,0,0,0|1,0,1]=3
4  B14R2.7969  CC1=CC=CC2=NC(C(=O)O)=CN12 015381 [0,1,0,0,0,0|1,0,1]=3
5  B12R1.43  CN(O)C(=O)NC1=CC=CC=C1 024109 [0,0,1,0,0,0|3,0,0]=4
6  B12R1.43  C\C(=C/C1=CC=CC=C1)C(=O)Cl 014734 [0,0,1,0,0,0|2,0,0]=3
7  B12R1.43  NC(CC1=CC=CN=C1)C(=O)O 328702 [0,0,1,0,0,0|1,0,2]=4
8  B12R1.43  N[C@H](CC1=CC=CC=C1)C(=O)O 099861 [0,0,1,0,0,0|0,0,2]=3
9  B11R1.91  O=C(O)CNC1=CC=CC=[NH+]1 180553 [1,0,1,0,0,0|1,0,1]=4
10  B13R2.43  NCC1=CC2=C(C=CC(Cl)=C2)N1 235491 [1,1,0,0,0,0|1,0,1]=4
11  B15R2.7174  O=C(O)C1CC2=C(C=CC(O)=C2)CN1 044398 [0,1,0,0,0,1|0,0,2]=4
12  B15R2.14951  O=C(O)C1=NC(Cl)=C2C=CC=CC2=C1 048719 [0,1,0,0,0,1|0,0,1]=3
13  B15R2.1592  COC(=O)C1=C(I)C2=C(C=CC=C2)N1 070476 [0,2,0,0,0,0|0,0,0]=2
14  B15R2.1592  COC(=O)C1=C(I)C2=CC=CC=C2S1 017355 [0,2,0,0,0,0|1,0,0]=3
15  B15R2.7203  CC1=C(C(=O)O)SC2=CC=C(Cl)C=C21 066295 [0,2,0,0,0,0|1,0,0]=3
16  B15R2.13629  O=C(O)C1=C(Cl)C2=C(C=CC=C2Cl)S1 014587 [0,2,0,0,0,0|1,0,0]=3
17  B15R2.14758  O=C(O)C1=C(Cl)C2=C(C=C(F)C=C2)S1 014582 [0,2,0,0,0,0|1,0,0]=3
18  B13R1.348  O=C(O)CC(=O)NC1=CC=CC=C1 401619 [0,0,1,0,0,1|1,0,0]=3
19  B15R2.1660  O=C(O)CSC1=NC2=C(C=CC=C2)S1 057480 [0,0,0,0,0,2|1,0,1]=4
20  B15R2.1668  O=C(Cl)CC1=CC2=C(C=CC=C2)C=C1 014719 [0,0,0,0,0,2|2,0,0]=4