smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCCO)c2)CC1	ZINC000028641583	581095650	/nfs/dbraw/zinc/09/56/50/581095650.db2.gz	VCMXVHQEQPEFNQ-UHFFFAOYSA-N	1	2	418.566	3.191	1	30		HGEFLO
C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(C#CCCO)c4)n[nH]c2-3)CC1	ZINC000028641583	581095651	/nfs/dbraw/zinc/09/56/51/581095651.db2.gz	VCMXVHQEQPEFNQ-UHFFFAOYSA-N	1	2	418.566	3.191	1	30		HGEFLO
CN1CC[NH+](Cc2ccc3c(c2)Cc2c(-c4csc(C#CCCO)c4)n[nH]c2-3)CC1	ZINC000028641583	581095652	/nfs/dbraw/zinc/09/56/52/581095652.db2.gz	VCMXVHQEQPEFNQ-UHFFFAOYSA-N	1	2	418.566	3.191	1	30		HGEFLO
CN1CC[NH+](Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCCO)c2)CC1	ZINC000028641583	581095653	/nfs/dbraw/zinc/09/56/53/581095653.db2.gz	VCMXVHQEQPEFNQ-UHFFFAOYSA-N	1	2	418.566	3.191	1	30		HGEFLO
Cc1cccc(C(=O)NO)c1N(C)S(=O)(=O)c1ccc(Oc2cc[nH+]cc2)cc1	ZINC000001494167	581092880	/nfs/dbraw/zinc/09/28/80/581092880.db2.gz	QYEGLTVXUKXPSD-UHFFFAOYSA-N	1	2	413.455	3.126	1	30		HGEFLO