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]1Sc2c(C(=O)[O-])c(=O)c3cc(F)c(N4CC[NH+](Cc5ccc(N)cc5)CC4)cc3n21	ZINC000040498419	563144712	/nfs/dbraw/zinc/14/47/12/563144712.db2.gz	MKSDDVVVIQYNJW-ZDUSSCGKSA-N	0	2	454.527	3.367	1	10		JGCFLN
O=C1c2c(cc(O)c([O-])c2[N+](=O)[O-])C[C@H]1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000027074694	563038893	/nfs/dbraw/zinc/03/88/93/563038893.db2.gz	QVIIHHRAKMOTME-ZDUSSCGKSA-N	0	2	451.401	3.202	1	10		JGCFLN
CO[C@H]1c2cc3c(c(O)c2-c2c(O)c4c(cc(C)[nH]c4=O)cc2[C@@H]1O)C(=O)c1ccc(C)c(O)c1C3=O	ZINC000015202981	560229172	/nfs/dbraw/zinc/22/91/72/560229172.db2.gz	AYAYSZMHAWZBCX-IGKIAQTJSA-N	0	2	499.475	3.439	1	10	in-vitro	JGCFLN
C[C@H]1Sc2c(C(=O)[O-])c(=O)c3cc(F)c(N4CC[NH+](Cc5ccc(N)cc5)CC4)cc3n21	ZINC000040498418	563144701	/nfs/dbraw/zinc/14/47/01/563144701.db2.gz	MKSDDVVVIQYNJW-CYBMUJFWSA-N	0	2	454.527	3.367	1	10		JGCFLN
O=C1c2c(cc(O)c([O-])c2[N+](=O)[O-])C[C@@H]1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000027074701	563038860	/nfs/dbraw/zinc/03/88/60/563038860.db2.gz	QVIIHHRAKMOTME-CYBMUJFWSA-N	0	2	451.401	3.202	1	10		JGCFLN
C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(O)c(O)c1	ZINC000043023906	563165313	/nfs/dbraw/zinc/16/53/13/563165313.db2.gz	DWQACXURLMKHAH-JTQLQIEISA-N	0	2	473.434	3.101	1	10		JGCFLN