smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(C)c1Nc1ncc(C2=CCC(CN3CCCC3)=[S+]2)n2cncc12	ZINC000028639686	581092965	/nfs/dbraw/zinc/09/29/65/581092965.db2.gz	LZLRLYRVZHHTNI-UHFFFAOYSA-N	1	1	404.563	4.185	1	30		HIEFMO
O=C(/C=C/c1ccc(C[N@@H+](CCCc2ccccc2)Cc2ccccn2)cc1)NO	ZINC000013528223	581101811	/nfs/dbraw/zinc/10/18/11/581101811.db2.gz	GQTVDHBALTWQNK-FOCLMDBBSA-N	1	1	401.510	4.235	1	30		HIEFMO
O=C(/C=C/c1ccc(C[N@@H+](CCCc2ccccc2)Cc2cccnc2)cc1)NO	ZINC000013528214	581101709	/nfs/dbraw/zinc/10/17/09/581101709.db2.gz	BENRTRVVKJWFSQ-CCEZHUSRSA-N	1	1	401.510	4.235	1	30		HIEFMO
N#Cc1ccc(C2=CC[N@@H+](CCCc3nc4c(Cl)cccc4c(=O)[nH]3)CC2)cc1	ZINC000040934900	581100606	/nfs/dbraw/zinc/10/06/06/581100606.db2.gz	WBKKUQLZAHKOBT-UHFFFAOYSA-N	1	1	404.901	4.170	1	30		HIEFMO
Cc1c2cc[nH]c2ccc1Nc1c(C#N)cncc1/C=C/CCN1CCC([NH3+])CC1	ZINC000045351590	581094069	/nfs/dbraw/zinc/09/40/69/581094069.db2.gz	SZJIXBKHTOPEKG-DUXPYHPUSA-N	1	1	400.530	4.313	1	30		HIEFMO