smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2/S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCC(=O)[O-]	ZINC000035394149	521953034	/nfs/dbraw/zinc/95/30/34/521953034.db2.gz	CDMICGRXOKMQRL-ZZLAVNAFSA-N	-2	0	442.449	3.091	10	30		IGEERL
O=C([O-])c1cccc(NC(=S)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1	ZINC000020457074	526392024	/nfs/dbraw/zinc/39/20/24/526392024.db2.gz	XZZVXIITYHHRLO-REZTVBANSA-N	-2	0	439.247	3.082	10	30		IGEERL
CCN1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000016931766	563021167	/nfs/dbraw/zinc/02/11/67/563021167.db2.gz	GVNWHSKPXFHYDR-ZWAQFXLXSA-N	-2	0	426.450	3.472	10	30		IGEERL
CC(C)(C)OC(=O)N=c1[n-]c(C(=NOC(C)(C)C(=O)OC(C)(C)C)C(=O)[O-])cs1	ZINC000095934775	518844963	/nfs/dbraw/zinc/84/49/63/518844963.db2.gz	ANFLTTZTVMOFFU-NHDPSOOVSA-N	-2	0	429.495	3.416	10	30		IGEERL
CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000016931720	563021099	/nfs/dbraw/zinc/02/10/99/563021099.db2.gz	ANUREJSTIHDJBT-DZHOKGPDSA-N	-2	0	426.450	3.472	10	30		IGEERL