0  B4R0.2  C=CCCN CDS021978 [0,0,0,0,0,0|2,0,1]=3
1  B4R0.2  OC/C=C/Br S880973 [0,0,0,0,0,0|3,0,1]=4
2  B3R0.1  C=CCN CDS000416 [1,0,0,0,0,0|1,0,1]=3
3  B3R0.1  C=C[Hg]Cl S881899 [1,0,0,0,0,0|2,0,0]=3
4  B5R0.1  C=C(C)CSC S866024 [0,1,0,0,0,0|2,0,1]=4
5  B5R0.1  C=COC(=O)C S458201 [0,1,0,0,0,0|0,0,1]=2
6  B5R0.1  CC(=O)/C=C\N S312274 [0,1,0,0,0,0|2,0,1]=4
7  B5R0.1  CCOC(=S)N PH003667 [0,1,0,0,0,0|1,0,2]=4
8  B5R0.1  CCOC(=S)[S-] R464988 [0,1,0,0,0,0|1,0,2]=4
9  B5R0.1  CCOC(=S)[S-] R533475 [0,1,0,0,0,0|1,0,2]=4
10  B5R0.1  O=C(O)/C=C/Cl R426903 [0,1,0,0,0,0|3,0,0]=4
11  B5R0.1  O=C(O)/C=C\I PH010791 [0,1,0,0,0,0|3,0,0]=4
12  B5R0.1  O=C([O-])/C=C\Cl T234753 [0,1,0,0,0,0|3,0,0]=4
13  B5R0.2  C(=O)CCC=C CDS000721 [0,1,0,0,0,0|1,0,1]=3
14  B5R0.2  C=C=CCCI T230871 [0,1,0,0,0,0|2,0,1]=4
15  B5R0.2  C=CCNCC PH014544 [0,1,0,0,0,0|1,0,2]=4
16  B5R0.2  C=CCSCC S620327 [0,1,0,0,0,0|0,1,2]=4
17  B5R0.2  C=CSCCO PH007226 [0,1,0,0,0,0|0,1,2]=4
18  B5R0.3  C=CC(C)C#N PH011344 [0,1,0,0,0,0|2,0,1]=4
19  B5R0.3  C=CC(O)CBr TMT00686 [0,1,0,0,0,0|2,0,1]=4
20  B5R1.1  C1=CCNC1 ANV00248 [0,0,0,1,0,0|1,0,2]=4
21  B4R0.1  C(=O)C(=O)[O-] S573140 [1,1,0,0,0,0|2,0,0]=4
22  B4R0.1  C=C(C)CN CDS003053 [1,1,0,0,0,0|1,0,1]=4
23  B6R0.4  C=CCNC(=N)N S815497 [0,2,0,0,0,0|2,0,0]=4
24  B6R0.4  C=CCNC(=O)C EME00415 [0,2,0,0,0,0|1,0,1]=4
25  B6R0.4  C=CCOC(=S)N PH008714 [0,2,0,0,0,0|1,0,0]=3
26  B6R0.4  C=CCSC(=N)N PH012122 [0,2,0,0,0,0|1,1,0]=4
27  B6R0.4  C=COCC(=C)C T284386 [0,2,0,0,0,0|0,0,0]=2
28  B6R0.6  C=CCNCC=C CDS000449 [0,2,0,0,0,0|1,0,0]=3
29  B6R1.2  BrC1=CC=CO1 CDS020809 [0,1,0,1,0,0|0,0,0]=2
30  B6R1.2  BrC1=NOC=C1 CDS005417 [0,1,0,1,0,0|1,0,0]=3
31  B6R1.2  CC1=CC=NN1 CDS002430 [0,1,0,1,0,0|1,0,1]=4
32  B6R1.2  CC1=COC=C1 CDS019631 [0,1,0,1,0,0|0,0,0]=2
33  B6R1.2  CC1=NC=CS1 CDS000301 [0,1,0,1,0,0|0,1,1]=4
34  B6R1.2  ClC1=CNN=C1 CDS019988 [0,1,0,1,0,0|2,0,0]=4
35  B6R1.2  IC1=NNC=C1 BML00254 [0,1,0,1,0,0|2,0,0]=4
36  B6R1.2  N1C=CN=C1N CDS020502 [0,1,0,1,0,0|2,0,0]=4
37  B6R1.2  NC1=CN=CS1 CDS008189 [0,1,0,1,0,0|1,1,0]=4
38  B6R1.2  NC1=CSC=C1 PHB00043 [0,1,0,1,0,0|0,1,0]=3
39  B6R1.2  NC1=NC=CS1 R646520 [0,1,0,1,0,0|1,1,0]=4
40  B6R1.2  NN1C=CC=C1 CDS000078 [0,1,0,1,0,0|1,0,0]=3
41  B6R1.2  O=C1CC=CC1 CDS003851 [0,1,0,1,0,0|1,0,1]=4
42  B6R1.2  O=C1NC=CN1 CBR02030 [0,1,0,1,0,0|2,0,0]=4
43  B6R1.2  OC1=NSC=C1 CDS008627 [0,1,0,1,0,0|1,1,0]=4
44  B6R1.2  S=C1NC=CS1 PH000321 [0,1,0,1,0,0|1,1,0]=4
45  B6R1.1  C1=CC=CC=C1 S458074 [0,1,0,1,0,0|1,0,0]=3
46  B6R1.1  C1=CC=NC=C1 S503533 [0,1,0,1,0,0|1,0,0]=3