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](C)C[C@@H](CCCl)C(C)=O	234723798	572166294	/nfs/dbraw/zinc/16/62/94/572166294.db2.gz	JGJROIUFDAIHDX-IONNQARKSA-N	0	0	192.686	2.246	10	50		AEGERN
O=C=N[C@H]1Cc2cc(Cl)ccc21	259535292	573630161	/nfs/dbraw/zinc/63/01/61/573630161.db2.gz	BIFGHRPADPGRDA-VIFPVBQESA-N	0	0	179.606	2.273	10	50		AEGERN
C[C@@H](C(=O)Cl)c1cccc(N)c1	259559757	573711223	/nfs/dbraw/zinc/71/12/23/573711223.db2.gz	NHSYRVVWWQFRBB-ZCFIWIBFSA-N	0	0	183.638	2.138	10	50		AEGERN
CO[C@@H](C)C[C@H](CCCl)C(C)=O	234731907	571913712	/nfs/dbraw/zinc/91/37/12/571913712.db2.gz	JGJROIUFDAIHDX-CBAPKCEASA-N	0	0	192.686	2.246	10	50		AEGERN
CO[C@H](C)C[C@@H](CCCl)C(C)=O	234769277	571944290	/nfs/dbraw/zinc/94/42/90/571944290.db2.gz	JGJROIUFDAIHDX-VXNVDRBHSA-N	0	0	192.686	2.246	10	50		AEGERN
CO[C@H](C)C[C@H](CCCl)C(C)=O	234775668	571947523	/nfs/dbraw/zinc/94/75/23/571947523.db2.gz	JGJROIUFDAIHDX-APPZFPTMSA-N	0	0	192.686	2.246	10	50		AEGERN
O=C=N[C@@H]1Cc2cc(Cl)ccc21	259535287	573631276	/nfs/dbraw/zinc/63/12/76/573631276.db2.gz	BIFGHRPADPGRDA-SECBINFHSA-N	0	0	179.606	2.273	10	50		AEGERN
C[C@H](C(=O)Cl)c1cccc(N)c1	259559755	573712097	/nfs/dbraw/zinc/71/20/97/573712097.db2.gz	NHSYRVVWWQFRBB-LURJTMIESA-N	0	0	183.638	2.138	10	50		AEGERN