smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C[C@H]1CCC2=C(C1=O)C(c1ccc(Cl)c(Cl)c1)C1=C(CC[C@H](C[NH+](C)C)C1=O)O2	ZINC000001588177	194128793	/nfs/dbraw/zinc/12/87/93/194128793.db2.gz	FEHKQTCFKALTRL-HZPDHXFCSA-N	1	3	477.432	4.697	50	30	in-vitro	JJEAHO
Nc1c(-c2nc(-c3cccc(Cl)c3)cs2)c(O)cn1C1CC[NH+](Cc2ccccc2)CC1	ZINC000034769946	569659032	/nfs/dbraw/zinc/65/90/32/569659032.db2.gz	JMBGJYKDZOKGJS-UHFFFAOYSA-N	1	3	465.022	4.640	50	30		JJEAHO
Nc1c(-c2nc(-c3ccccc3Cl)cs2)c(O)cn1C1CC[NH+](Cc2ccccc2)CC1	ZINC000034770002	569659035	/nfs/dbraw/zinc/65/90/35/569659035.db2.gz	VGHJGUKICWUONM-UHFFFAOYSA-N	1	3	465.022	4.640	50	30		JJEAHO
Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)c(O)cn1C1CC[NH+](Cc2ccccc2)CC1	ZINC000009049220	527136790	/nfs/dbraw/zinc/13/67/90/527136790.db2.gz	WMKYYEILQDRTTG-UHFFFAOYSA-N	1	3	465.022	4.640	50	30		JJEAHO
CN(C)C[C@@H]1CCC2=C(C1=O)C(c1ccc(Cl)c(Cl)c1)C1=C(CC[C@@H](C[NH+](C)C)C1=O)O2	ZINC000001588176	553979869	/nfs/dbraw/zinc/97/98/69/553979869.db2.gz	FEHKQTCFKALTRL-HOTGVXAUSA-N	1	3	477.432	4.697	50	30	in-vitro	JJEAHO