smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
S=c1[n-]nc(NN=C(Cc2ccccc2)Cc2ccccc2)[n-]1	ZINC000020826836	526388509	/nfs/dbraw/zinc/38/85/09/526388509.db2.gz	NOLZOLMUHCQGKU-UHFFFAOYSA-N	-2	3	323.425	3.721	10	30		DHEEHL
[O-]/N=C1/c2ccccc2/C(=N\[O-])C1c1cccc2ccccc21	ZINC000100293993	563549023	/nfs/dbraw/zinc/54/90/23/563549023.db2.gz	PVMKFHVJUDWPHH-ZVDLMZJTSA-N	-2	3	302.333	3.994	10	30		DHEEHL
C=CCc1cc(C=O)c([O-])c(-c2cc(C=O)c([O-])c(CC=C)c2)c1	ZINC000043079147	183335211	/nfs/dbraw/zinc/33/52/11/183335211.db2.gz	KAPUKVNKQYDBHH-UHFFFAOYSA-N	-2	3	322.360	3.847	10	30		DHEEHL
S=c1[n-]nc(NN=Cc2cccc(Oc3ccccc3)c2)[n-]1	ZINC000006340009	526389038	/nfs/dbraw/zinc/38/90/38/526389038.db2.gz	FYWRNRPXVQFYJE-MHWRWJLKSA-N	-2	3	311.370	3.706	10	30		DHEEHL
C=CC(C)(C)c1cc([O-])c2oc3c([O-])cccc3c(=O)c2c1O	ZINC000005714910	290919907	/nfs/dbraw/zinc/91/99/07/290919907.db2.gz	ZLVHCWPTRLJYOL-UHFFFAOYSA-N	-2	3	312.321	3.527	10	30	biogenic,in-vitro	DHEEHL
O=C([O-])c1ccccc1C(c1ccc([O-])cc1)=C1C=CC(=O)C=C1	ZINC000004143879	181078646	/nfs/dbraw/zinc/07/86/46/181078646.db2.gz	GGCFKQBFXFYVGD-UHFFFAOYSA-N	-2	3	318.328	3.587	10	30		DHEEHL