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)n1cnc(=NC(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)[nH]1	ZINC000651509448	1073332890	/nfs/dbraw/zinc/33/28/90/1073332890.db2.gz	HPQZDPWTIQIFIO-UHFFFAOYSA-N	-2	2	386.412	-0.090	20	0		GBADLL
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000739819867	600674139	/nfs/dbraw/zinc/67/41/39/600674139.db2.gz	JBFAATBUNSSYCH-UHFFFAOYSA-N	-2	2	382.354	-0.417	20	0		GBADLL
O=C([O-])CNC(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1	ZINC000739820108	600530677	/nfs/dbraw/zinc/53/06/77/600530677.db2.gz	STHOPCKAETXAPW-UHFFFAOYSA-N	-2	2	382.354	-0.417	20	0		GBADLL
NC(=O)c1cc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)on1	ZINC000826392923	607742940	/nfs/dbraw/zinc/74/29/40/607742940.db2.gz	TZOBNTGDLZKAGX-UHFFFAOYSA-N	-2	2	385.312	-0.290	20	0		GBADLL
O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CC(=O)Nc2ccc(-c3nn[nH]n3)cc21	ZINC001571309054	946439646	/nfs/dbraw/zinc/43/96/46/946439646.db2.gz	WLCJBDXNKQGRMW-UHFFFAOYSA-N	-2	2	392.339	-0.763	20	0		GBADLL