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-])c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000003173341	440889766	/nfs/dbraw/zinc/88/97/66/440889766.db2.gz	LPRZQFXSZRFEFI-UHFFFAOYSA-N	-2	1	338.297	1.799	50	10		EDCAML
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)[O-]	ZINC000001194784	440840265	/nfs/dbraw/zinc/84/02/65/440840265.db2.gz	DVBJNSKWHSGTDK-YHYXMXQVSA-N	-2	1	325.367	1.647	50	10		EDCAML
O=C([O-])c1cccc(NC=C2C(=O)[N-]C(=S)N(C3CC3)C2=O)c1	ZINC000006276506	440986117	/nfs/dbraw/zinc/98/61/17/440986117.db2.gz	AYWPRGVKVXZIAE-YRNVUSSQSA-N	-2	1	331.353	1.086	50	10		EDCAML
CC[C@@H](C)N1C(=O)C(=CNc2ccccc2C(=O)[O-])C(=O)[N-]C1=S	ZINC000020391416	286777776	/nfs/dbraw/zinc/77/77/76/286777776.db2.gz	ZIJNUKDAJHNQOF-FJUNDMEASA-N	-2	1	347.396	1.722	50	10		EDCAML
O=C1[N-]C(=S)S/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000003023825	296359741	/nfs/dbraw/zinc/35/97/41/296359741.db2.gz	PWNISSIOUAVKSG-FARCUNLSSA-N	-2	1	327.299	1.697	50	10		EDCAML
O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=S)N(C3CC3)C2=O)cc1	ZINC000018152191	295990266	/nfs/dbraw/zinc/99/02/66/295990266.db2.gz	HNXUPMNTWHAQRI-YRNVUSSQSA-N	-2	1	331.353	1.086	50	10		EDCAML
Cc1nonc1[N-]C1([N-]c2nonc2C)C(=O)c2ccccc2C1=O	ZINC000000087908	293999155	/nfs/dbraw/zinc/99/91/55/293999155.db2.gz	SUKYHDJYEFNLRY-UHFFFAOYSA-N	-2	1	340.299	1.369	50	10		EDCAML
O=C([O-])c1ccccc1NC=C1C(=O)[N-]C(=S)N(C2CC2)C1=O	ZINC000002411209	440862271	/nfs/dbraw/zinc/86/22/71/440862271.db2.gz	CEDFWNIZYOBMCL-JXMROGBWSA-N	-2	1	331.353	1.086	50	10		EDCAML