smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c2cc(S(=O)(=O)[O-])ccc2c2ccc(F)cc12	ZINC000029411992	171597973	/nfs/dbraw/zinc/59/79/73/171597973.db2.gz	QVLLIIKSJSAYEC-UHFFFAOYSA-N	-1	0	293.275	2.479	1	5		CEBFRM
O=C([O-])c1cc(-n2cnc([N+](=O)[O-])c2)ccc1Cl	ZINC000095576003	185011438	/nfs/dbraw/zinc/01/14/38/185011438.db2.gz	ICKZUHUJZDYAIN-UHFFFAOYSA-N	-1	0	267.628	2.132	1	5		CEBFRM
O=C([O-])/C=C/c1c([N+](=O)[O-])cccc1N1CCCC1	ZINC000086862389	363838926	/nfs/dbraw/zinc/83/89/26/363838926.db2.gz	DGLRRZADDYXVOL-VOTSOKGWSA-N	-1	0	262.265	2.293	2	5		CEBFRM
O=c1[nH]c(=S)nc2c(-c3ccc([N+](=O)[O-])cc3)c[n-]n21	ZINC000096922744	185131665	/nfs/dbraw/zinc/13/16/65/185131665.db2.gz	CATRVMRSTZHGQT-UHFFFAOYSA-N	-1	0	289.276	2.068	1	5		CEBFRM
CC(C)c1ccc2oc3[nH]c(=O)c(C(=O)[O-])cc3c(=O)c2c1	ZINC000027645478	171526141	/nfs/dbraw/zinc/52/61/41/171526141.db2.gz	DCMFOYDHPQLFDV-UHFFFAOYSA-N	-1	0	299.282	2.456	1	5		CEBFRM
O=C([O-])Cc1cccc2c(=O)c3cccc([N+](=O)[O-])c3[nH]c12	ZINC000005580586	170115816	/nfs/dbraw/zinc/11/58/16/170115816.db2.gz	DVKKYGIXXAIJAC-UHFFFAOYSA-N	-1	0	298.254	2.217	1	5		CEBFRM
Cc1cc2cc3cc(O)cc(O)c3c(O)c2c(=O)o1	ZINC000034002965	560087698	/nfs/dbraw/zinc/08/76/98/560087698.db2.gz	CHFXJVIAQRGNOY-UHFFFAOYSA-N	-1	0	258.229	2.371	1	5	biogenic,in-vitro	CEBFRM
O=C([O-])CCSC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005887484	170150369	/nfs/dbraw/zinc/15/03/69/170150369.db2.gz	XVPMIIMBONFWDX-UHFFFAOYSA-N	-1	0	270.266	2.335	1	5		CEBFRM
O=C([O-])c1ccc2nc3cc(Cl)ccc3c(=O)n2c1	ZINC000169321099	188657884	/nfs/dbraw/zinc/65/78/84/188657884.db2.gz	WSWJKBPMLRBZLS-UHFFFAOYSA-N	-1	0	274.663	2.199	1	5		CEBFRM
O=C([O-])c1cn2c(ccc3cc([N+](=O)[O-])ccc32)n1	ZINC000040465107	174274372	/nfs/dbraw/zinc/27/43/72/174274372.db2.gz	AVHOUIWGRRNHPG-UHFFFAOYSA-N	-1	0	257.205	2.094	1	5		CEBFRM
O=C([O-])Cc1cccc2c(=O)c3cccc([N+](=O)[O-])c3oc12	ZINC000005808487	170142078	/nfs/dbraw/zinc/14/20/78/170142078.db2.gz	ZONHHOLWXYDKBO-UHFFFAOYSA-N	-1	0	299.238	2.482	1	5		CEBFRM
O=C([O-])c1cccc2oc3cccc(O)c3c(=O)c21	ZINC000014513446	560222226	/nfs/dbraw/zinc/22/22/26/560222226.db2.gz	QRODRMXJCCGNJF-UHFFFAOYSA-N	-1	0	256.213	2.350	1	5	in-vitro	CEBFRM
CCCOc1ccc2nc3ccc(C(=O)[O-])cn3c(=O)c2c1	ZINC000169321105	188658000	/nfs/dbraw/zinc/65/80/00/188658000.db2.gz	BHICQSYUBDSQSU-UHFFFAOYSA-N	-1	0	298.298	2.335	1	5		CEBFRM
COc1cccc2cc3c(=O)[n-]c(=S)nc-3[nH]c21	ZINC000103201637	185816208	/nfs/dbraw/zinc/81/62/08/185816208.db2.gz	NMHITHHZPSYIQM-UHFFFAOYSA-N	-1	0	259.290	2.142	1	5		CEBFRM
CON=c1[nH]c2cc(C(=O)[O-])ccc2c2cnccc21	ZINC000066102776	523308715	/nfs/dbraw/zinc/30/87/15/523308715.db2.gz	OTGITUUYWVKPEM-UHFFFAOYSA-N	-1	0	269.260	2.455	1	5		CEBFRM