0  B6R0.2  CC(=O)NC(=N)N FS000018 [0,1,0,0,0,0|3,0,0]=4
1  B6R0.4  CC(=O)NCC=O FS023506 [0,1,0,0,0,0|2,0,1]=4
2  B6R0.4  CC(=O)NCCN FS007612 [0,1,0,0,0,0|2,0,1]=4
3  B6R0.4  CO\N=C\C(=O)O FS009311 [0,1,0,0,0,0|1,0,0]=2
4  B6R1.2  Cc1ccns1 FS000716 [0,0,0,1,0,0|2,1,0]=4
5  B6R1.2  Cc1ccon1 FS000477 [0,0,0,1,0,0|3,0,0]=4
6  B6R1.2  Cc1ccsn1 FS000658 [0,0,0,1,0,0|3,0,0]=4
7  B6R1.2  c1c[nH][13c](=O)[nH]1 13005032 [0,0,0,1,0,0|2,0,1]=4
8  B6R1.2  c1c[nH]c(=O)[nH]1 FS005032 [0,0,0,1,0,0|2,0,1]=4
9  B6R1.2  c1c[nH]nc1N FS000814 [0,0,0,1,0,0|3,0,0]=4
10  B6R1.2  c1cnsc1Br FS007598 [0,0,0,1,0,0|2,1,0]=4
11  B6R1.2  c1csnc1Br FS009369 [0,0,0,1,0,0|3,0,0]=4
12  B5R0.3  CC(C=C)ON FS001320 [1,1,0,0,0,0|1,0,1]=4
13  B5R0.5  C(=O)(C(=O)O)O FS029093 [1,1,0,0,0,0|1,0,0]=3
14  B5R0.2  CC\C=C/CO FS000334 [1,1,0,0,0,0|0,0,1]=3
15  B5R0.2  C\C=C\C[Zn]Cl FS430004 [1,1,0,0,0,0|1,0,1]=4
16  B5R0.2  C\C=C\C[Zn]Cl FS430509 [1,1,0,0,0,0|1,0,1]=4
17  B7R0.4  C(CC(=O)O)CON FS001314 [0,2,0,0,0,0|0,0,2]=4
18  B7R0.6  C(CC(=O)O)C(F)F FS007555 [0,2,0,0,0,0|0,0,2]=4
19  B5R1.1  c1cnsc1 FS000701 [1,0,0,1,0,0|1,1,0]=4
20  B7R1.1  c1cc(oc1)[Zn]Br FS430456 [0,1,0,1,0,0|1,0,1]=4
21  B7R1.1  c1cc(oc1)[Zn]Br FS430940 [0,1,0,1,0,0|1,0,1]=4
22  B7R1.1  c1cnsc1C=O FS008848 [0,1,0,1,0,0|1,1,0]=4
23  B7R1.1  c1cnsc1CO FS007481 [0,1,0,1,0,0|1,1,0]=4
24  B7R1.1  c1cscc1CO FS011375 [0,1,0,1,0,0|2,0,0]=4
25  B7R1.1  c1csnc1CO FS007480 [0,1,0,1,0,0|2,0,0]=4
26  B7R1.2  Cc1cc(sn1)Br FS000660 [0,1,0,1,0,0|1,1,0]=4
27  B7R1.2  Cc1cc(sn1)Cl FS000659 [0,1,0,1,0,0|1,1,0]=4
28  B7R1.2  Cc1cc(sn1)I FS008880 [0,1,0,1,0,0|1,1,0]=4
29  B7R1.2  Cn1ccc(n1)I FS001820 [0,1,0,1,0,0|2,0,0]=4
30  B7R1.3  c1cnncc1O FS009166 [0,1,0,1,0,0|2,0,0]=4
31  B7R1.12  C1[C@H]([C@H]1F)C(=O)O FS022100 [0,1,0,1,0,0|0,0,2]=4