smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000032961956	556579389	/nfs/dbraw/zinc/57/93/89/556579389.db2.gz	VJAALYYHWPYABV-UHFFFAOYSA-N	-2	1	432.477	2.360	50	30		IEEAML
N#CCCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(F)c2)CC1	ZINC000032961972	556579539	/nfs/dbraw/zinc/57/95/39/556579539.db2.gz	BITQUFAIWCASOH-UHFFFAOYSA-N	-2	1	432.477	2.360	50	30		IEEAML
N#Cc1cccnc1N1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036359418	569085683	/nfs/dbraw/zinc/08/56/83/569085683.db2.gz	VHOJRUNHSXSJCE-HXUWFJFHSA-N	-2	1	437.431	2.080	50	30		IEEAML
CCOc1ccc(C(=O)C=C([O-])C(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1	ZINC000100913592	557200878	/nfs/dbraw/zinc/20/08/78/557200878.db2.gz	GNVGQGQBSXWFTB-UNOMPAQXSA-N	-2	1	432.454	2.173	50	30		IEEAML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1	ZINC000032961958	556579248	/nfs/dbraw/zinc/57/92/48/556579248.db2.gz	KLQHVEQIPOVINE-UHFFFAOYSA-N	-2	1	444.513	2.230	50	30		IEEAML
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1OC	ZINC000095447964	522223770	/nfs/dbraw/zinc/22/37/70/522223770.db2.gz	TYEHMGWAJUGWNS-UHFFFAOYSA-N	-2	1	428.488	2.478	50	30		IEEAML
N#Cc1cccnc1N1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036359417	569085675	/nfs/dbraw/zinc/08/56/75/569085675.db2.gz	VHOJRUNHSXSJCE-FQEVSTJZSA-N	-2	1	437.431	2.080	50	30		IEEAML