smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc2ccccc2c1/C=N/c1cc(Br)ccc1[O-]	ZINC000100370891	219097350	/nfs/dbraw/zinc/09/73/50/219097350.db2.gz	YZENCXVFKUORRQ-VXLYETTFSA-N	-2	3	342.192	4.764	40	30		EJEBHL
C/C(=N\N=C(/C)c1cc(Cl)ccc1[O-])c1cc(Cl)ccc1[O-]	ZINC000006373583	563566365	/nfs/dbraw/zinc/56/63/65/563566365.db2.gz	NXRQFPUBDRLZNI-LQGKIZFRSA-N	-2	3	337.206	4.638	40	30		EJEBHL
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2c([O-])ccc3ccccc32)c1[O-]	ZINC000005518369	563536554	/nfs/dbraw/zinc/53/65/54/563536554.db2.gz	DXSALRWBPKZLTC-DJKKODMXSA-N	-2	3	342.738	4.563	40	30		EJEBHL
O=C(/C=C/c1ccccc1OCc1ccccc1)c1ccc([O-])cc1[O-]	ZINC000004104789	527636968	/nfs/dbraw/zinc/63/69/68/527636968.db2.gz	AQCRXWQAFASVJA-JLHYYAGUSA-N	-2	3	346.382	4.573	40	30	biogenic,in-vitro	EJEBHL
Cc1ccc2oc(-c3ccc(/N=C/c4ccccc4[O-])cc3[O-])nc2c1	ZINC000101539405	219133083	/nfs/dbraw/zinc/13/30/83/219133083.db2.gz	PAQNFKFJXZNEMN-WSDLNYQXSA-N	-2	3	344.370	4.965	40	30		EJEBHL
[O-]c1ccc2ccccc2c1/C=N\N=C/c1c([O-])ccc2ccccc21	ZINC000012360335	211356029	/nfs/dbraw/zinc/35/60/29/211356029.db2.gz	SYRBOMODLUADBZ-GACBQCINSA-N	-2	3	340.382	4.857	40	30		EJEBHL
[O-]c1ccc(/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1	ZINC000003114486	564155238	/nfs/dbraw/zinc/15/52/38/564155238.db2.gz	GUNJCFKRPUEWSK-CIAFOILYSA-N	-2	3	330.343	4.657	40	30		EJEBHL
C=CCc1ccc2ccc(/C=C/c3ccc(C(=O)[O-])cc3)nc2c1[O-]	ZINC000008036191	564072213	/nfs/dbraw/zinc/07/22/13/564072213.db2.gz	UYUWQYWEFAPNDK-WUXMJOGZSA-N	-2	3	331.371	4.538	40	30		EJEBHL