smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N@@H+]1CCC[C@]2(CC[NH+](C3CCN(c4ccc(OC)cc4)CC3)C2)C1	ZINC000012305948	204393198	/nfs/dbraw/zinc/39/31/98/204393198.db2.gz	ZRKBAWRFZBWEOF-QHCPKHFHSA-N	2	1	387.568	3.098	1	10		GGCFMP
COCC[N@H+]1CCC[C@]2(CC[NH+](C3CCN(c4ccc(OC)cc4)CC3)C2)C1	ZINC000012305948	204393203	/nfs/dbraw/zinc/39/32/03/204393203.db2.gz	ZRKBAWRFZBWEOF-QHCPKHFHSA-N	2	1	387.568	3.098	1	10		GGCFMP
COCC[NH+]1CCC[C@]2(CC[N@@H+](C3CCN(c4ccc(OC)cc4)CC3)C2)C1	ZINC000012305948	204393209	/nfs/dbraw/zinc/39/32/09/204393209.db2.gz	ZRKBAWRFZBWEOF-QHCPKHFHSA-N	2	1	387.568	3.098	1	10		GGCFMP
COCC[NH+]1CCC[C@]2(CC[N@H+](C3CCN(c4ccc(OC)cc4)CC3)C2)C1	ZINC000012305948	204393213	/nfs/dbraw/zinc/39/32/13/204393213.db2.gz	ZRKBAWRFZBWEOF-QHCPKHFHSA-N	2	1	387.568	3.098	1	10		GGCFMP
Nc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)c(O)c(C[NH+]3CCCC3)c2)cc1	ZINC000028766189	207348394	/nfs/dbraw/zinc/34/83/94/207348394.db2.gz	VDYHKXKEZZAQCE-UHFFFAOYSA-N	2	1	394.519	3.418	1	10		GGCFMP
Cn1c(-c2ccc(F)c(N=[N+](N)N)c2)ccc1-c1ccc(F)c(NC(N)=[NH2+])c1	ZINC000028469039	221677625	/nfs/dbraw/zinc/67/76/25/221677625.db2.gz	HSCSFMPVWPZNRA-UHFFFAOYSA-N	2	1	385.402	3.187	1	10		GGCFMP