smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1sc(SCc2ccccc2)cc1[O-]	ZINC000096510940	567897953	/nfs/dbraw/zinc/89/79/53/567897953.db2.gz	DQCMLYLFMZKKJA-UHFFFAOYSA-N	-1	1	280.370	3.533	40	10		CHCBMM
CC1=CC(=O)C=C([O-])C1=NNc1ccc([N+](=O)[O-])cc1	ZINC000104041767	567915760	/nfs/dbraw/zinc/91/57/60/567915760.db2.gz	XDOOUKIUNUWEFT-PFONDFGASA-N	-1	1	273.248	3.730	40	10		CHCBMM
Cc1nc(N(C)C)[n-]c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000018055766	567876387	/nfs/dbraw/zinc/87/63/87/567876387.db2.gz	CLOMLLBNHOQSGP-ISLYRVAYSA-N	-1	1	291.742	3.625	40	10		CHCBMM
CC(C)(C)C1CCC(=C2SC(=S)[N-]C2=O)CC1	ZINC000040541558	174322349	/nfs/dbraw/zinc/32/23/49/174322349.db2.gz	MIELGIGSLLRVGE-UHFFFAOYSA-N	-1	1	269.435	3.625	40	10		CHCBMM
Cc1nc(N(C)C)[n-]c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000104219796	567916394	/nfs/dbraw/zinc/91/63/94/567916394.db2.gz	CLOMLLBNHOQSGP-ZCXUNETKSA-N	-1	1	291.742	3.625	40	10		CHCBMM