0  B8R1.50  CC1=C(Br)C(N)=NN1 B007337 [0,0,0,0,0,0|4,0,0]=4
1  B8R1.50  CC1=C(Cl)C(N)=NN1 B007336 [0,0,0,0,0,0|4,0,0]=4
2  B8R1.50  CC1=C(I)C(N)=NN1 B051674 [0,0,0,0,0,0|4,0,0]=4
3  B8R1.50  CC1=NNC(C)=C1Br B001459 [0,0,0,0,0,0|4,0,0]=4
4  B8R1.50  CC1=NNC(C)=C1Cl B001465 [0,0,0,0,0,0|4,0,0]=4
5  B8R1.50  CC1=NNC(C)=C1I B037460 [0,0,0,0,0,0|4,0,0]=4
6  B8R1.50  CC1=NNC(C)=C1N B018722 [0,0,0,0,0,0|4,0,0]=4
7  B8R1.50  CC1=NNC(N)=C1Cl B030216 [0,0,0,0,0,0|4,0,0]=4
8  B8R1.50  CC1=NOC(C)=C1N B029429 [0,0,0,0,0,0|3,0,0]=3
9  B8R1.50  CN1C(=O)CNC1=S B014802 [0,0,0,0,0,0|4,0,0]=4
10  B8R1.50  NN1C(=O)CSC1=S B028622 [0,0,0,0,0,0|3,1,0]=4
11  B7R1.2  CC1=CC(I)=NN1 B051816 [1,0,0,0,0,0|3,0,0]=4
12  B7R1.2  CC1=NOC(N)=C1 B030049 [1,0,0,0,0,0|3,0,0]=4
13  B7R1.4  CC1=C(C)ON=C1 B063491 [1,0,0,0,0,0|2,0,0]=3
14  B7R1.4  CC1=NNC=C1Br B030262 [1,0,0,0,0,0|3,0,0]=4
15  B7R1.4  CC1=NNC=C1Cl B020772 [1,0,0,0,0,0|3,0,0]=4
16  B7R1.4  CC1=NNC=C1I B047689 [1,0,0,0,0,0|3,0,0]=4
17  B7R1.4  CC1=NNC=C1N B047500 [1,0,0,0,0,0|3,0,0]=4
18  B6R0.1  COCC(=O)NN B015437 [1,0,1,0,0,0|2,0,0]=4
19  B6R1.2  CC1=NNC=C1 B022230 [2,0,0,0,0,0|2,0,0]=4
20  B8R1.1  CC1=CC(CCl)=NO1 B037983 [1,1,0,0,0,0|2,0,0]=4
21  B8R1.1  CC1=CC(CO)=NO1 B037451 [1,1,0,0,0,0|1,0,1]=4
22  B8R1.1  CC1=NNC(C=O)=C1 B014001 [1,1,0,0,0,0|2,0,0]=4
23  B8R1.1  CC1=NOC(CN)=C1 B038372 [1,1,0,0,0,0|2,0,0]=4
24  B8R1.1  CC1=NOC(CN)=C1 B039279 [1,1,0,0,0,0|2,0,0]=4
25  B8R1.1  CC1=NOC(CO)=C1 B037452 [1,1,0,0,0,0|2,0,0]=4
26  B8R1.11  CCC1=C(Br)C=NO1 B063493 [1,1,0,0,0,0|2,0,0]=4
27  B8R1.11  CCC1=C(I)C=NO1 B063495 [1,1,0,0,0,0|2,0,0]=4
28  B10R1.192  CC1=NOC(C)=C1C(=O)O B007458 [0,2,0,0,0,0|2,0,0]=4
29  B10R1.194  CC1=C(Br)C(C(=O)O)=NO1 B047202 [0,2,0,0,0,0|2,0,0]=4
30  B10R1.194  CC1=C(C)C(C(=O)O)=NO1 B022861 [0,2,0,0,0,0|2,0,0]=4