smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H]1O[C@H](CNC(C)=O)[C@@H](O)[C@H](OS(C)(=O)=O)[C@H]1NC(=O)c1ccccc1	ZINC000048546897	569358702	/nfs/dbraw/zinc/35/87/02/569358702.db2.gz	HTORNNDBVPHRLU-DRXUAVOGSA-N	0	0	416.452	-1.002	10	30		HAEERN
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC	ZINC000085645424	291152130	/nfs/dbraw/zinc/15/21/30/291152130.db2.gz	MPCHHOVJEMEKKG-VPNMNMBESA-N	0	0	418.395	-1.802	10	30	biogenic,in-vitro	HAEERN
Cc1cc(=O)oc2cc(OS(=O)(=O)OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)ccc12	ZINC000100057751	526150831	/nfs/dbraw/zinc/15/08/31/526150831.db2.gz	FPIPZLZAWQKADA-DZQJYWQESA-N	0	0	418.376	-1.458	10	30		HAEERN
CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@@H]1O	ZINC000100057787	519701515	/nfs/dbraw/zinc/70/15/15/519701515.db2.gz	ZKQFLWXVOLAEIP-DHGKCCLASA-N	0	0	422.368	-1.821	10	30		HAEERN