0  B8R1.7  CC([NH3+])C1=CC=CS1 031057 [0,0,0,0,0,0|2,0,1]=3
1  B8R1.7  NC(=S)N1C=CC=N1 098165 [0,0,0,0,0,0|3,1,0]=4
2  B9R1.11  O=C(CCl)C1=CC=CS1 015347 [0,1,0,0,0,0|1,0,0]=2
3  B9R1.13  O=C(O)CC1=CNC=N1 012254 [0,0,0,0,0,1|3,0,0]=4
4  B6R1.2  OC1=NN=CS1 313117 [2,0,0,0,0,0|1,0,1]=4
5  B8R1.1  CC1=CSC(CN)=N1 031058 [1,1,0,0,0,0|1,0,1]=4
6  B10R1.15  C=C(CO)C1=CC=CC=N1 180101 [0,1,0,0,0,1|2,0,0]=4
7  B10R1.61  O=C(Cl)C1=CC=CN=C1F 066676 [0,1,0,0,0,1|2,0,0]=4
8  B10R1.113  CC(=O)C1=CC=C[N+](C)=C1 181309 [0,1,0,0,0,1|1,0,1]=4
9  B10R1.113  C[N+]1=CC(C(=O)O)=NC=C1 188697 [0,1,0,0,0,1|2,0,0]=4
10  B10R1.113  C[N+]1=CC(C(N)=O)=NC=C1 181871 [0,1,0,0,0,1|2,0,0]=4
11  B10R1.113  O=C(Cl)C1=CC=CC(Br)=N1 402790 [0,1,0,0,0,1|2,0,0]=4
12  B10R1.113  O=C(O)C1=CN=CC(Br)=N1 094451 [0,1,0,0,0,1|2,0,0]=4
13  B10R1.27  COC(=O)CC1=NC=CN1 046350 [0,1,0,0,0,1|1,0,0]=3
14  B10R1.14  COC(=O)C1=CC=C(Cl)S1 323671 [0,2,0,0,0,0|1,0,0]=3
15  B10R1.14  COC(=O)C1=NNC(Br)=C1 238098 [0,2,0,0,0,0|2,0,0]=4
16  B10R1.14  O=C(CBr)C1=CC=C(Br)S1 018072 [0,2,0,0,0,0|1,0,0]=3
17  B10R1.59  CC(=O)N1N=C(C)C=C1C 335502 [0,2,0,0,0,0|2,0,0]=4
18  B10R1.59  CC1=CC(C)=C(C(=O)O)S1 059281 [0,2,0,0,0,0|2,0,0]=4
19  B10R1.59  O=C(O)C1=C(Br)C=C(Br)S1 217857 [0,2,0,0,0,0|2,0,0]=4
20  B10R1.194  CC1=C(C(=O)Cl)SC=C1Br 019422 [0,2,0,0,0,0|2,0,0]=4