smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@@]1(C(=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)[C@](C)(C(=O)[O-])[C@@H](C=O)N[C@H]1C	ZINC000255004262	528879452	/nfs/dbraw/zinc/87/94/52/528879452.db2.gz	WQMCXUZTFFOOOQ-ZCUWWCRPSA-N	-2	3	392.408	2.056	10	30		GEEEHL
C=CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC)C(=O)[O-]	ZINC000159610667	531788595	/nfs/dbraw/zinc/78/85/95/531788595.db2.gz	RFMWNUUNPDSSKD-VIFPVBQESA-N	-2	3	398.662	2.419	10	30		GEEEHL
N#Cc1ccccc1NC(=O)CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1	ZINC000005737971	570913171	/nfs/dbraw/zinc/91/31/71/570913171.db2.gz	IQXCNMDGUZOPMX-UHFFFAOYSA-N	-2	3	378.413	2.026	10	30		GEEEHL
C=CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC)C(=O)[O-]	ZINC000159610805	531788575	/nfs/dbraw/zinc/78/85/75/531788575.db2.gz	RFMWNUUNPDSSKD-SECBINFHSA-N	-2	3	398.662	2.419	10	30		GEEEHL
CC(C)[C@]1(C(=O)[O-])[C@H](C)N[C@H](C=O)[C@@](C)(C(=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000255004260	527968330	/nfs/dbraw/zinc/96/83/30/527968330.db2.gz	WQMCXUZTFFOOOQ-DSWUMHHSSA-N	-2	3	392.408	2.056	10	30		GEEEHL
CC(C)[C@@]1(C(=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)[C@@](C)(C(=O)[O-])[C@@H](C=O)N[C@H]1C	ZINC000255004261	528880175	/nfs/dbraw/zinc/88/01/75/528880175.db2.gz	WQMCXUZTFFOOOQ-STMZPRSESA-N	-2	3	392.408	2.056	10	30		GEEEHL
CC(C)[C@]1(C(=O)[O-])[C@H](C)N[C@H](C=O)[C@](C)(C(=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000255004259	527967304	/nfs/dbraw/zinc/96/73/04/527967304.db2.gz	WQMCXUZTFFOOOQ-BMTPPDAQSA-N	-2	3	392.408	2.056	10	30		GEEEHL