O=c1[nH]cc(I)c(=O)[nH]1	ZINC000001092752	50/16/26/346501626	KSNXJLQDQOIRIP-UHFFFAOYSA-N	-1	237.984	BB	-0.332	1	Anodyne	mid	BBAAMM	O=c1[n-]c(=O)c(I)c[nH]1	biogenic in-vivo
O=c1[nH]cc(I)c(=O)[nH]1	ZINC000001092752	50/16/19/346501619	KSNXJLQDQOIRIP-UHFFFAOYSA-N	0	237.984	BB	-0.332	0	Anodyne	ref	BBAARN	O=c1[nH]cc(I)c(=O)[nH]1	biogenic in-vivo
Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C	ZINC000013209709	06/76/13/180067613	LFHHOHMIVKIHMG-UHFFFAOYSA-N	0	208.221	BB	-0.721	0	Anodyne	ref	BBAARN	Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C	 
CCOC(=O)[C@@](C)(O)[C@H](O)[C@H]1COC(C)(C)O1	ZINC000064033862	26/25/95/170262595	BHCHXRCKXIVVCN-XLDPMVHQSA-N	0	248.275	BB	-0.187	0	Anodyne	ref	BBAARN	CCOC(=O)[C@@](C)(O)[C@H](O)[C@H]1COC(C)(C)O1	 
C/C(=C\CNC1=NC=N[C@@H]2N=CN=C12)CO	ZINC000095884299	33/81/71/368338171	NMQBGODTAQDIHM-BPQDVTRRSA-N	0	219.248	BB	-0.236	0	Anodyne	ref	BBABRN	CC(=CCN=C1NC=N[C@@H]2N=CN=C12)CO	 
C/C(=C\CNC1=NC=N[C@H]2N=CN=C12)CO	ZINC000103583980	77/93/09/384779309	NMQBGODTAQDIHM-CYZOPGGISA-N	0	219.248	BB	-0.236	0	Anodyne	ref	BBABRN	CC(=CCN=C1NC=N[C@H]2N=CN=C12)CO