0  B7R0.6  CC(=O)ON=C(C)C F19954 [0,0,0,0,0,0|4,0,0]=4
1  B7R0.6  O=C(O)CCC(=O)O D85169 [0,0,0,0,0,0|4,0,0]=4
2  B6R0.4  CC(=O)CCC=O P17049 [1,0,0,0,0,0|3,0,0]=4
3  B6R0.4  NCCCC(N)=O C72206 [1,0,0,0,0,0|2,0,1]=4
4  B8R0.9  O=C(O)CCC(=O)NO D83843 [0,1,0,0,0,0|3,0,0]=4
5  B8R0.23  NC(=O)[C@@H](N)CC(=O)O FD21181 [0,1,0,0,0,0|3,0,0]=4
6  B8R1.3  NC1=CN=C(N)C=N1 C14950 [0,0,0,1,0,0|3,0,0]=4
7  B8R1.3  NC1=CN=C(N)C=N1 F20076 [0,0,0,1,0,0|3,0,0]=4
8  B8R1.3  NC1=NN=C(F)C=C1 C71319 [0,0,0,1,0,0|3,0,0]=4
9  B8R1.3  NC1=NNC(=O)C=C1 A11691 [0,0,0,1,0,0|2,0,1]=4
10  B8R1.23  O=C1C[C@@H](C(=O)O)N1 P10146 [0,0,0,1,0,0|3,0,0]=4
11  B8R1.23  O=C1C[C@@H](C(=O)O)N1 P11831 [0,0,0,1,0,0|3,0,0]=4
12  B6R0.2  CC(=O)CC(=O)[O-] T70807 [0,0,0,0,1,0|3,0,0]=4
13  B6R0.2  NC(=O)CC(=O)O F20599 [0,0,0,0,1,0|2,0,0]=3
14  B8R0.28  NC(=O)CCCC(N)=O F14537 [0,0,0,0,0,1|2,0,0]=3
15  B7R1.2  CC1=NN=C(N)C1 D88133 [1,0,0,1,0,0|2,0,0]=4
16  B7R1.2  CC1=NN=C(N)O1 71460 [1,0,0,1,0,0|1,0,1]=4
17  B7R1.2  NC1=CC(N)=NN1 F12619 [1,0,0,1,0,0|1,0,1]=4
18  B7R1.2  NC1=NN=C(N)S1 F10459 [1,0,0,1,0,0|0,1,0]=3
19  B7R1.2  O=C1COC(=O)N1 F20602 [1,0,0,1,0,0|2,0,0]=4
20  B9R1.35  NC(=O)C1=NN=C(Cl)S1 72503 [0,0,0,1,0,1|1,1,0]=4
21  B9R1.35  NC(=O)C1=NNC(N)=N1 C13657 [0,0,0,1,0,1|1,0,1]=4
22  B9R1.35  NC(=O)[C@@H]1CCC(=O)N1 64802 [0,0,0,1,0,1|2,0,0]=4
23  B9R1.69  CC1=C(N)NC(=O)N=C1 26036 [0,1,0,1,0,0|2,0,0]=4
24  B9R1.69  CC1=CC(=O)N=NC1=O F53166 [0,1,0,1,0,0|2,0,0]=4
25  B9R1.69  CC1=CN=C(N)C(=O)N1 C75150 [0,1,0,1,0,0|2,0,0]=4
26  B9R1.69  CC1=NNC(=O)NC1=O T71473 [0,1,0,1,0,0|1,0,1]=4
27  B9R1.69  NC1=NC=C(Br)NC1=O Y10053 [0,1,0,1,0,0|2,0,0]=4
28  B9R1.69  NC1=NNC(=O)NC1=O P20706 [0,1,0,1,0,0|0,0,1]=3
29  B9R1.69  O=C1C=C(Cl)C(=O)NN1 O11196 [0,1,0,1,0,0|2,0,0]=4
30  B5R0.5  CC(=O)C(N)=S 93979 [0,0,0,0,2,0|1,1,0]=4
31  B5R0.5  C[C@H](N)C(N)=O 25148 [0,0,0,0,2,0|1,0,1]=4
32  B5R0.5  NC(=S)C(N)=S D78448 [0,0,0,0,2,0|0,2,0]=4
33  B5R0.5  O=C([O-])C(=O)[O-] AC1285 [0,0,0,0,2,0|2,0,0]=4