smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c([O-])ccc2c3oc4cc(O)ccc4c3c(=O)oc21	ZINC000014778669	290864245	/nfs/dbraw/zinc/86/42/45/290864245.db2.gz	GGODGVBBKDNZEL-UHFFFAOYSA-N	-1	1	298.250	3.112	1	5	biogenic,in-vitro	CGBFMM
Cn1c(-c2ccccc2)cc2c1cc([N+](=O)[O-])cc2[O-]	ZINC000072114256	176318461	/nfs/dbraw/zinc/31/84/61/176318461.db2.gz	KTTUBPAYUIHUTM-UHFFFAOYSA-N	-1	1	268.272	3.459	1	5		CGBFMM
O=c1cccc2oc(-c3ccc([N+](=O)[O-])cc3)cc([O-])c1-2	ZINC000038242206	174137764	/nfs/dbraw/zinc/13/77/64/174137764.db2.gz	OWWHGWVFDHUHCE-UHFFFAOYSA-N	-1	1	283.239	3.074	1	5		CGBFMM
O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cccc([O-])c12	ZINC000038242206	174137767	/nfs/dbraw/zinc/13/77/67/174137767.db2.gz	OWWHGWVFDHUHCE-UHFFFAOYSA-N	-1	1	283.239	3.074	1	5		CGBFMM
O=C(Nc1ccccc1F)Nc1ccc([O-])cc1[N+](=O)[O-]	ZINC000045394001	175376437	/nfs/dbraw/zinc/37/64/37/175376437.db2.gz	XINNTLAMGNJQLW-UHFFFAOYSA-N	-1	1	291.238	3.084	1	5		CGBFMM
O=[N+]([O-])c1cc2[nH]c(-c3ccc(O)cc3)cc2c([O-])c1	ZINC000072114304	176318062	/nfs/dbraw/zinc/31/80/62/176318062.db2.gz	YTDZZVVALXTRNX-UHFFFAOYSA-N	-1	1	270.244	3.154	1	5		CGBFMM