smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)[O-])C2=O)SC1=S	ZINC000002088003	557312022	/nfs/dbraw/zinc/31/20/22/557312022.db2.gz	BZKVBCJXMJDPNQ-BQYQJAHWSA-N	-2	0	406.488	0.868	50	10		HCCARL
O=C([O-])CCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)[O-])C2=O)SC1=S	ZINC000002088004	569279896	/nfs/dbraw/zinc/27/98/96/569279896.db2.gz	BZKVBCJXMJDPNQ-FPLPWBNLSA-N	-2	0	406.488	0.868	50	10		HCCARL
CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1	ZINC000002996506	557780042	/nfs/dbraw/zinc/78/00/42/557780042.db2.gz	JXMSRFBBULMLLG-UHFFFAOYSA-N	-2	0	403.372	0.521	50	10		HCCARL
O=C1c2ccc(S(=O)(=O)[O-])c(O)c2C(=O)c2ccc(S(=O)(=O)[O-])c(O)c21	ZINC000004792025	560608802	/nfs/dbraw/zinc/60/88/02/560608802.db2.gz	AWVNGKBCZDBCJB-UHFFFAOYSA-N	-2	0	400.342	0.367	50	10		HCCARL
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)NC3=O)cc2)n1	ZINC000017174115	558824792	/nfs/dbraw/zinc/82/47/92/558824792.db2.gz	QDGCTFLOIXTKAM-UHFFFAOYSA-N	-2	0	402.392	0.248	50	10		HCCARL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(S(N)(=O)=O)c2)c([N+](=O)[O-])c1	ZINC000089434982	569060354	/nfs/dbraw/zinc/06/03/54/569060354.db2.gz	DBUFMEPXXAVTKE-UHFFFAOYSA-N	-2	0	403.394	0.757	50	10		HCCARL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(S(N)(=O)=O)c2)cc1	ZINC000089490114	569061135	/nfs/dbraw/zinc/06/11/35/569061135.db2.gz	AAXFTILLCDIXEQ-UHFFFAOYSA-N	-2	0	406.463	0.244	50	10		HCCARL
CS(=O)(=O)CC[C@@H](NC=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O)C(=O)[O-]	ZINC000102501444	560812660	/nfs/dbraw/zinc/81/26/60/560812660.db2.gz	ZNRQPEPPEXKKBY-NXIHDVOMSA-N	-2	0	413.383	0.610	50	10		HCCARL
O=C([O-])c1cccc(N2C(=O)[C@H]3[C@@H](c4ccc(O)cc4O)[NH2+][C@@H](C(=O)[O-])[C@H]3C2=O)c1	ZINC000248006906	569057633	/nfs/dbraw/zinc/05/76/33/569057633.db2.gz	UGVOSROMMQJALH-QKPAOTATSA-N	-2	0	412.354	0.699	50	10		HCCARL