0  B6R0.3  CC(=O)C(C)CO ACI-02297 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.1  CSCC(=O)O ACI-04646 [1,0,0,0,0,0|1,0,1]=3
2  B5R0.3  CC\C(N)=N\O JM-05F-002 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.5  CC(C)C(=N)N ACI-00383 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.5  CC(C)C(N)=S ACI-01566 [1,0,0,0,0,0|1,1,1]=4
5  B7R0.10  COC(=O)C(Cl)C=O ACI-01197 [0,1,0,0,0,0|2,0,1]=4
6  B7R0.10  COC(=O)\C(C)=C\Br ACI-00903 [0,1,0,0,0,0|1,0,0]=2
7  B7R0.10  COC(=O)\C(Cl)=C\[O-] JL-14F-001 [0,1,0,0,0,0|2,0,0]=3
8  B7R0.15  CNC(CS)C(=O)O JL-11I-006 [0,1,0,0,0,0|1,0,1]=3
9  B7R1.4  CC1=C(Br)SN=C1 ACI-NI-00748 [0,0,0,1,0,0|2,1,0]=4
10  B7R1.4  N[C@H]1CCOC1=O ACI-02543 [0,0,0,1,0,0|1,0,2]=4
11  B7R1.18  C1(C(=O)O)CCN1 ACI-00777 [0,0,0,1,0,0|1,0,1]=3
12  B7R0.2  CCC(=O)CC(=O)O FD-09A-003 [0,0,0,0,0,1|1,0,1]=3
13  B4R0.1  C\C(N)=N\O ACI-00899 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.2  CC(=O)\C=C(\C)N ACI-01061 [1,1,0,0,0,0|1,0,0]=3
15  B6R0.4  O=C(O)\C=C\CBr ACI-04789 [1,1,0,0,0,0|0,0,0]=2
16  B8R0.19  CN\C(C)=C\C(=O)OC RH-07I-002 [0,1,0,0,0,1|1,0,0]=3
17  B8R0.3  CCOC(=O)\C(Cl)=C\[O-] JL-12E-001 [0,2,0,0,0,0|2,0,0]=4
18  B8R0.18  CCC(C(C)=O)C(C)=O ACI-04847 [0,2,0,0,0,0|1,0,1]=4
19  B6R1.2  NC1=CC=NO1 ACI-00943 [1,0,0,1,0,0|2,0,0]=4
20  B6R1.2  O=C1C=CSN1 ACI-04102 [1,0,0,1,0,0|2,0,0]=4
21  B6R1.2  OC1=CC=NN1 ACI-00667 [1,0,0,1,0,0|2,0,0]=4
22  B6R1.2  OC1=NOC=C1 ACI-04840 [1,0,0,1,0,0|2,0,0]=4
23  B6R1.2  OC1=NSC=C1 ACI-04841 [1,0,0,1,0,0|2,0,0]=4
24  B8R1.4  CC1=NC(O)=NC=C1 ACI-01352 [0,0,0,1,0,1|1,0,1]=4
25  B8R1.7  O=C(O)C1=CC=NO1 ACI-02588 [0,1,0,1,0,0|1,0,1]=4
26  B8R1.7  O=C(O)C1=NC=CS1 ACI-02389 [0,1,0,1,0,0|1,0,1]=4
27  B8R1.7  O=C(O)C1=NNC=C1 ACI-02623 [0,1,0,1,0,0|1,0,1]=4
28  B8R1.7  O=C(O)C1=NOC=C1 ACI-05095 [0,1,0,1,0,0|1,0,1]=4
29  B8R1.7  O=C(O)C1=NSC=C1 ACI-NI-00755 [0,1,0,1,0,0|1,0,1]=4
30  B8R1.23  C=C1CC(C(=O)O)C1 JM-02C-001 [0,1,0,1,0,0|0,0,2]=4
31  B8R1.11  CC1=C(C=O)SN=C1 ACI-NI-00746 [0,1,0,1,0,0|1,1,0]=4
32  B8R1.11  CC1=C(CCl)ON=C1 ACI-04860 [0,1,0,1,0,0|2,0,0]=4
33  B8R1.11  CC1=C(CN)C=CO1 JM-10L-001 [0,1,0,1,0,0|1,0,1]=4
34  B8R1.11  CC1=C(CO)NN=C1 ACI-04855 [0,1,0,1,0,0|2,0,0]=4
35  B8R1.11  CC1=C(CO)OC=C1 ACI-02282 [0,1,0,1,0,0|0,0,2]=4
36  B8R1.11  CC1=C(CO)ON=C1 ACI-04859 [0,1,0,1,0,0|1,0,1]=4
37  B8R1.50  CC1=C(Br)C(N)=NO1 ACI-01227 [0,1,0,1,0,0|2,0,0]=4
38  B8R1.50  CC1=C(Cl)C(N)=NO1 ACI-00541 [0,1,0,1,0,0|2,0,0]=4
39  B8R1.50  CC1=NOC(C)=C1I ACI-02249 [0,1,0,1,0,0|2,0,0]=4