0  B5R0.3  CC\C(N)=N\O JM-05F-002 [0,0,0,0,0,0|4,0,0]=4
1  B5R0.3  CNC(=S)NN ACI-00591 [0,0,0,0,0,0|3,1,0]=4
2  B5R0.3  CSC(=S)NN ACI-05565 [0,0,0,0,0,0|2,2,0]=4
3  B4R0.1  CSC(=N)N RH-05B-002 [1,0,0,0,0,0|2,1,0]=4
4  B4R0.1  C\C(N)=N\O ACI-00899 [1,0,0,0,0,0|3,0,0]=4
5  B6R0.1  COC\C(N)=N\O ACI-05005 [0,1,0,0,0,0|3,0,0]=4
6  B6R0.3  CC(C)C(=O)CBr ACI-01554 [0,1,0,0,0,0|2,0,1]=4
7  B6R1.2  BrC1=CC=NS1 ACI-NI-00773 [0,0,0,1,0,0|2,1,0]=4
8  B6R1.2  BrC1=NNC=C1 ACI-01841 [0,0,0,1,0,0|3,0,0]=4
9  B6R1.2  CC1=CC=NS1 ACI-NI-00772 [0,0,0,1,0,0|2,1,0]=4
10  B6R1.2  CC1=NSC=C1 ACI-00539 [0,0,0,1,0,0|3,0,0]=4
11  B6R1.2  NC1=CC=NO1 ACI-00943 [0,0,0,1,0,0|2,0,0]=3
12  B6R1.2  NC1=NC=CO1 ACI-00944 [0,0,0,1,0,0|2,0,1]=4
13  B6R1.2  NC1=NNC=C1 ACI-03851 [0,0,0,1,0,0|3,0,0]=4
14  B6R1.2  O=C1C=CSN1 ACI-04102 [0,0,0,1,0,0|2,0,0]=3
15  B6R1.2  OC1=CC=NN1 ACI-00667 [0,0,0,1,0,0|2,0,1]=4
16  B6R1.2  OC1=NOC=C1 ACI-04840 [0,0,0,1,0,0|2,0,1]=4
17  B6R1.2  OC1=NSC=C1 ACI-04841 [0,0,0,1,0,0|2,0,1]=4
18  B5R0.1  CSCC(=O)O ACI-04646 [1,1,0,0,0,0|0,0,2]=4
19  B7R0.2  CCC(=O)CC(=O)O FD-09A-003 [0,2,0,0,0,0|1,0,1]=4
20  B7R0.3  C=CCNC(=O)CCl WS-04B-002 [0,2,0,0,0,0|2,0,0]=4
21  B7R0.3  COC(=O)CCC=O ACI-01008 [0,2,0,0,0,0|0,0,1]=3
22  B7R0.10  COC(=O)C(Cl)C=O ACI-01197 [0,2,0,0,0,0|0,0,1]=3
23  B7R0.10  COC(=O)\C(C)=C\Br ACI-00903 [0,2,0,0,0,0|0,0,0]=2
24  B7R0.10  COC(=O)\C(Cl)=C\[O-] JL-14F-001 [0,2,0,0,0,0|0,0,0]=2
25  B7R1.1  COC1=CCCN1 JM-08J-001 [0,1,0,1,0,0|1,0,1]=4
26  B7R1.1  O=CC1=CC=NO1 ACI-04961 [0,1,0,1,0,0|1,0,0]=3
27  B7R1.1  O=CC1=CC=NS1 ACI-NI-00774 [0,1,0,1,0,0|1,1,0]=4
28  B7R1.2  CN1C=CC(Cl)=N1 ACI-02549 [0,1,0,1,0,0|2,0,0]=4
29  B7R1.2  CN1C=CC(N)=N1 ACI-00344 [0,1,0,1,0,0|2,0,0]=4
30  B7R1.2  O=C1CC(O)=CO1 JM-02K-001 [0,1,0,1,0,0|0,0,2]=4
31  B7R1.4  CN1N=CC=C1N RH-05E-001 [0,1,0,1,0,0|2,0,0]=4
32  B7R1.4  N[C@H]1CCOC1=O ACI-02543 [0,1,0,1,0,0|0,0,2]=4