smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=[NH+]/CCC/[NH+]=C/c2ccc(OC)cc2)cc1	ZINC000018006497	523438254	/nfs/dbraw/zinc/43/82/54/523438254.db2.gz	FPYTXUWVDOUMLZ-OZNQKUEASA-N	2	2	310.397	3.632	40	30		DHEBLP
Cc1ccccc1NC(Nc1ccccc1C)=[NH+]CCC[NH+]1CC1	ZINC000004775883	181150205	/nfs/dbraw/zinc/15/02/05/181150205.db2.gz	QUDHHWSLEAGDEC-UHFFFAOYSA-N	2	2	322.456	3.698	40	30		DHEBLP
COc1ccc(/C=[NH+]\CCC/[NH+]=C\c2ccc(OC)cc2)cc1	ZINC000104387879	563564303	/nfs/dbraw/zinc/56/43/03/563564303.db2.gz	FPYTXUWVDOUMLZ-SIBCGJTDSA-N	2	2	310.397	3.632	40	30		DHEBLP
Oc1ccc2oc3c(c2c1/C=[NH+]/CCCn1cc[nH+]c1)CCCC3	ZINC000006694565	526356177	/nfs/dbraw/zinc/35/61/77/526356177.db2.gz	HPYLDZKLXZBBKG-UDWIEESQSA-N	2	2	323.396	3.723	40	30		DHEBLP
COc1ccc(/C=[NH+]/CCC/[NH+]=C\c2ccc(OC)cc2)cc1	ZINC000104387885	563564347	/nfs/dbraw/zinc/56/43/47/563564347.db2.gz	FPYTXUWVDOUMLZ-TVGQLCNQSA-N	2	2	310.397	3.632	40	30		DHEBLP
Oc1ccccc1/C=[NH+]/CCCCC/[NH+]=C/c1ccccc1O	ZINC000003187008	331479353	/nfs/dbraw/zinc/47/93/53/331479353.db2.gz	JDTPWGFQNPGGKT-OZNQKUEASA-N	2	2	310.397	3.806	40	30		DHEBLP