smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(C2=C(Cl)C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1	ZINC000064474593	221147805	/nfs/dbraw/zinc/14/78/05/221147805.db2.gz	XNLCISMHHOSRBF-UHFFFAOYSA-N	1	2	364.789	1.556	1	5		FDBFLO
C[N@@H+]1CCc2c(c(Br)c([N+](=O)[O-])c3[nH]c(=O)c(=O)[nH]c23)C1	ZINC000013743330	220091908	/nfs/dbraw/zinc/09/19/08/220091908.db2.gz	NENSCQVKSIWVEO-UHFFFAOYSA-N	1	2	355.148	1.287	1	5		FDBFLO
C[N@H+]1CCc2c(c(Br)c([N+](=O)[O-])c3[nH]c(=O)c(=O)[nH]c23)C1	ZINC000013743330	220091911	/nfs/dbraw/zinc/09/19/11/220091911.db2.gz	NENSCQVKSIWVEO-UHFFFAOYSA-N	1	2	355.148	1.287	1	5		FDBFLO
O=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc21	ZINC000029410206	581101361	/nfs/dbraw/zinc/10/13/61/581101361.db2.gz	HPQVTAKNIDPEDA-UHFFFAOYSA-N	1	2	369.396	1.882	1	5		FDBFLO
C[NH+]1CCN(C2=C(Cl)C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1	ZINC000064526945	212038498	/nfs/dbraw/zinc/03/84/98/212038498.db2.gz	JMAKPLURQLXSHD-UHFFFAOYSA-N	1	2	350.762	1.166	1	5		FDBFLO
C[N@@H+]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1	ZINC000103242799	222327248	/nfs/dbraw/zinc/32/72/48/222327248.db2.gz	SPVJHIDCMLXKAW-UHFFFAOYSA-N	1	2	360.395	1.995	1	5		FDBFLO
C[N@H+]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1	ZINC000103242799	222327253	/nfs/dbraw/zinc/32/72/53/222327253.db2.gz	SPVJHIDCMLXKAW-UHFFFAOYSA-N	1	2	360.395	1.995	1	5		FDBFLO