smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(Br)c2)c(=O)n1CCCOCC	ZINC000514381368	1059352654	/nfs/dbraw/zinc/35/26/54/1059352654.db2.gz	BWOSIXBMZIJCIR-UHFFFAOYSA-N	0	2	617.360	2.613	20	30		KFEDLN
COc1ccc(CNC(=S)C(C([O-])=C2C=CC(=NS(C)(=O)=O)C=C2)[n+]2cccc(CO)c2)cc1	ZINC000728556149	1059012937	/nfs/dbraw/zinc/01/29/37/1059012937.db2.gz	SIHMKEGJXRDPFS-UHFFFAOYSA-O	0	2	500.622	2.659	20	30		KFEDLN
COc1ccc(CCNC(=S)C(=C(O)C2=CCC(=NS(C)(=O)=O)C=C2)[n+]2cccc([O-])c2)cc1	ZINC000728556556	1059013351	/nfs/dbraw/zinc/01/33/51/1059013351.db2.gz	PHKRRTVQZXKSSU-UHFFFAOYSA-O	0	2	500.622	2.915	20	30		KFEDLN
CS(=O)(=O)N=C1C=CC(C(=O)C(C(=S)Nc2ccc3c(c2)OCCO3)[n+]2cccc([O-])c2)=CC1	ZINC000728556700	1059012889	/nfs/dbraw/zinc/01/28/89/1059012889.db2.gz	WBPQORSAMFOAOB-UHFFFAOYSA-O	0	2	500.578	2.958	20	30		KFEDLN