smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC(=O)NCCc1ccc(S(=O)(=O)N=C(O)N[C@H]2CCC[C@@H](O)C2)cc1	ZINC000077273694	518832038	/nfs/dbraw/zinc/83/20/38/518832038.db2.gz	GWUTXPHWFKUPSD-JKSUJKDBSA-N	0	2	441.550	2.250	10	30	in-vitro	IEEELN
CNC(O)=NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1	ZINC000000537790	555510353	/nfs/dbraw/zinc/51/03/53/555510353.db2.gz	RXOBKRPNVDTZQF-UHFFFAOYSA-N	0	2	425.894	2.143	10	30	in-man	IEEELN
O=C(N/C(S)=N\NS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2oc1=O	ZINC000003669168	569456039	/nfs/dbraw/zinc/45/60/39/569456039.db2.gz	LELOCBRZXLGNSK-UHFFFAOYSA-N	0	2	437.886	2.356	10	30		IEEELN