smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(/C=N/c2cc([N+](=O)[O-])ccc2O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409187852	560688008	/nfs/dbraw/zinc/68/80/08/560688008.db2.gz	VBVVUABLWXWTKR-FSJBWODESA-N	-1	2	422.393	4.337	40	30		HIEBLM
O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(Br)c([O-])c(Br)c2)c1	ZINC000038182137	568486596	/nfs/dbraw/zinc/48/65/96/568486596.db2.gz	PSJVHMXNWVHAGN-OMCISZLKSA-N	-1	2	416.025	4.282	40	30		HIEBLM
COc1ccc(C/[NH+]=C\c2cc(C)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C)cc1	ZINC000408859345	560647886	/nfs/dbraw/zinc/64/78/86/560647886.db2.gz	WAAXMBHZZIFTPS-CFRMEGHHSA-N	-1	2	406.438	4.118	40	30		HIEBLM
COc1cc(/C=N/c2cc([N+](=O)[O-])ccc2O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000408860287	560647989	/nfs/dbraw/zinc/64/79/89/560647989.db2.gz	ZXCUYWGNIWJQTR-FSJBWODESA-N	-1	2	422.393	4.337	40	30		HIEBLM
CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000100924261	559141786	/nfs/dbraw/zinc/14/17/86/559141786.db2.gz	XCJGHFFHUXBZBJ-KRWDZBQOSA-N	-1	2	408.495	4.333	40	30		HIEBLM
COc1cc(/C=[NH+]/Cc2ccc(C(=O)[O-])cc2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000408852313	560646851	/nfs/dbraw/zinc/64/68/51/560646851.db2.gz	SIYIATXSAMKNLL-AFUMVMLFSA-N	-1	2	419.433	4.290	40	30		HIEBLM
CCCCCCCCCCCC(=O)N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000100924262	559141771	/nfs/dbraw/zinc/14/17/71/559141771.db2.gz	XCJGHFFHUXBZBJ-QGZVFWFLSA-N	-1	2	408.495	4.333	40	30		HIEBLM
O=C([O-])c1cc(NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)ccc1Cl	ZINC000035188786	526347619	/nfs/dbraw/zinc/34/76/19/526347619.db2.gz	ZOTIDUJKIOHJCQ-AWQFTUOYSA-N	-1	2	401.762	4.358	40	30		HIEBLM
O=[N+]([O-])c1cccc(/C=N/c2cc(Br)c([O-])c(Br)c2)c1O	ZINC000038182134	569362573	/nfs/dbraw/zinc/36/25/73/569362573.db2.gz	PNAXCPXTVKYILF-OMCISZLKSA-N	-1	2	416.025	4.282	40	30		HIEBLM