smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1C=N[O-]	ZINC001164705840	719846596	/nfs/dbraw/zinc/84/65/96/719846596.db2.gz	WCSMKRXIPFTPAA-KPZWWZAWSA-N	-1	1	443.957	1.893	20	30		IDEDMM
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1C=N[O-]	ZINC001164705843	719846686	/nfs/dbraw/zinc/84/66/86/719846686.db2.gz	WCSMKRXIPFTPAA-XIKOKIGWSA-N	-1	1	443.957	1.893	20	30		IDEDMM
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1C=N[O-]	ZINC001164705842	719846830	/nfs/dbraw/zinc/84/68/30/719846830.db2.gz	WCSMKRXIPFTPAA-SGTLLEGYSA-N	-1	1	443.957	1.893	20	30		IDEDMM
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1C=N[O-]	ZINC001164705841	719846762	/nfs/dbraw/zinc/84/67/62/719846762.db2.gz	WCSMKRXIPFTPAA-KZULUSFZSA-N	-1	1	443.957	1.893	20	30		IDEDMM