smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)cc1	ZINC000002145136	569289401	/nfs/dbraw/zinc/28/94/01/569289401.db2.gz	UOPYQTDFDHPPFX-UHFFFAOYSA-N	-2	1	419.440	0.686	50	10		HCCAML
Cc1cc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=S)NC3=O)cc2)no1	ZINC000017025691	558812029	/nfs/dbraw/zinc/81/20/29/558812029.db2.gz	CVNDPROBVCUPAC-UHFFFAOYSA-N	-2	1	407.433	0.611	50	10		HCCAML
CCCCCCN1C(=O)C(=CN[C@@H](CCS(C)(=O)=O)C(=O)[O-])C(=O)[N-]C1=S	ZINC000020463105	558373884	/nfs/dbraw/zinc/37/38/84/558373884.db2.gz	IGOUEDXQVBTQMR-IIANPFDCSA-N	-2	1	419.525	0.171	50	10		HCCAML
CCCCCCN1C(=O)C(=CN[C@H](CCS(C)(=O)=O)C(=O)[O-])C(=O)[N-]C1=S	ZINC000020463109	558373842	/nfs/dbraw/zinc/37/38/42/558373842.db2.gz	IGOUEDXQVBTQMR-HCRIHEDKSA-N	-2	1	419.525	0.171	50	10		HCCAML
CCCCCCN1C(=O)C(=CN[C@@H](CCS(C)(=O)=O)C(=O)[O-])C(=O)[N-]C1=S	ZINC000103019510	560836795	/nfs/dbraw/zinc/83/67/95/560836795.db2.gz	IGOUEDXQVBTQMR-WEHUKYGOSA-N	-2	1	419.525	0.583	50	10		HCCAML
CCCCCCN1C(=O)C(=CN[C@H](CCS(C)(=O)=O)C(=O)[O-])C(=O)[N-]C1=S	ZINC000103019511	560836770	/nfs/dbraw/zinc/83/67/70/560836770.db2.gz	IGOUEDXQVBTQMR-NLYDNYMLSA-N	-2	1	419.525	0.583	50	10		HCCAML