smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CCc2c3oc4c(c3ccc2O1)c(=O)oc1cc(O)ccc41	ZINC000000899909	291010871	/nfs/dbraw/zinc/01/08/71/291010871.db2.gz	GSAVLDZAGYKJSO-UHFFFAOYSA-N	0	1	336.343	4.502	10	5	endogenous,in-man	EJBEMN
COc1ccc2c(c1)nccc2Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000054202360	214223147	/nfs/dbraw/zinc/22/31/47/214223147.db2.gz	OKXDYLDPJUPSRV-UHFFFAOYSA-N	0	1	329.743	4.549	10	5		EJBEMN
O=[N+]([O-])c1ccc(Nc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1	ZINC000035141173	213009531	/nfs/dbraw/zinc/00/95/31/213009531.db2.gz	OCRGOBLDDRMTIX-UHFFFAOYSA-N	0	1	328.111	4.553	10	5		EJBEMN
COc1ccc2c(c1)nccc2Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000054202379	214223512	/nfs/dbraw/zinc/22/35/12/214223512.db2.gz	NPRUKTFXPWSTAW-UHFFFAOYSA-N	0	1	329.743	4.549	10	5		EJBEMN