smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](c1ccccc1F)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1	ZINC000216681689	241205041	/nfs/dbraw/zinc/20/50/41/241205041.db2.gz	CGSNIXOTSACZJB-KZULUSFZSA-N	0	0	337.797	4.753	20	70		EJIDRN
CC[C@@H](c1ccc(F)cc1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1	ZINC000217237954	241244963	/nfs/dbraw/zinc/24/49/63/241244963.db2.gz	DTYJUMFRBQUIMG-RBUKOAKNSA-N	0	0	335.369	4.629	20	70		EJIDRN
COc1ccccc1-c1cc(C(F)(F)F)nc(-c2ccccc2)n1	ZINC000217032083	536970533	/nfs/dbraw/zinc/97/05/33/536970533.db2.gz	YQSHUHQBXXAFNQ-UHFFFAOYSA-N	0	0	330.309	4.838	20	70		EJIDRN
CC[C@H](c1ccc(F)cc1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1	ZINC000217237957	241244213	/nfs/dbraw/zinc/24/42/13/241244213.db2.gz	DTYJUMFRBQUIMG-RTBURBONSA-N	0	0	335.369	4.629	20	70		EJIDRN
C[C@@H](c1ccccc1F)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1	ZINC000216681650	241204240	/nfs/dbraw/zinc/20/42/40/241204240.db2.gz	CGSNIXOTSACZJB-KPZWWZAWSA-N	0	0	337.797	4.753	20	70		EJIDRN
COc1ccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1	ZINC000217031977	241233629	/nfs/dbraw/zinc/23/36/29/241233629.db2.gz	JLNIMJINKYZZIG-UHFFFAOYSA-N	0	0	330.309	4.838	20	70		EJIDRN
COc1cccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1	ZINC000217032029	537063323	/nfs/dbraw/zinc/06/33/23/537063323.db2.gz	AOVHFOFIFGMSAY-UHFFFAOYSA-N	0	0	330.309	4.838	20	70		EJIDRN