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#N)CC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1	ZINC000036093176	208144053	/nfs/dbraw/zinc/14/40/53/208144053.db2.gz	YWKUZOPNLHGQER-UHFFFAOYSA-N	2	2	371.422	4.338	1	30		FIEFLP
CC(C)(C#N)CC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1	ZINC000036093176	208144057	/nfs/dbraw/zinc/14/40/57/208144057.db2.gz	YWKUZOPNLHGQER-UHFFFAOYSA-N	2	2	371.422	4.338	1	30		FIEFLP
C1=C(CSC(NC2CCCCC2)=[NH+]C2CCCC2)N2CC[NH+]=C2S1	ZINC000049850420	581091285	/nfs/dbraw/zinc/09/12/85/581091285.db2.gz	OGXGHWFUPAEKDX-UHFFFAOYSA-N	2	2	364.584	4.200	1	30		FIEFLP