smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)Nn2c([O-])c(C#N)c(-c3ccc(N(C)C)cc3)c(C#N)c2=O)cc1	ZINC000001650970	562923845	/nfs/dbraw/zinc/92/38/45/562923845.db2.gz	SSMNUCUIXGOSNL-UHFFFAOYSA-N	-1	2	449.492	2.271	1	30		IEEFLM
N#Cc1ncc2nc1OCCCCOc1cc([P@](=O)([O-])O)c(Cl)cc1NC(=O)N2	ZINC000028963263	563070929	/nfs/dbraw/zinc/07/09/29/563070929.db2.gz	ZYCNXNPOBIAGRO-UHFFFAOYSA-N	-1	2	439.752	2.000	1	30		IEEFLM
N#Cc1ncc2nc1OCCCCOc1cc([P@@](=O)([O-])O)c(Cl)cc1NC(=O)N2	ZINC000028963263	563070931	/nfs/dbraw/zinc/07/09/31/563070931.db2.gz	ZYCNXNPOBIAGRO-UHFFFAOYSA-N	-1	2	439.752	2.000	1	30		IEEFLM
CCCCCCCCCCCn1cc[n+](CC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000095590440	563189951	/nfs/dbraw/zinc/18/99/51/563189951.db2.gz	HOUXFNOXORQGTG-UHFFFAOYSA-O	-1	2	427.395	2.308	1	30		IEEFLM
CCCCCCCCCCCn1cc[n+](CC(O)(P(=O)([O-])O)[P@](=O)([O-])O)c1	ZINC000095590440	563189952	/nfs/dbraw/zinc/18/99/52/563189952.db2.gz	HOUXFNOXORQGTG-UHFFFAOYSA-O	-1	2	427.395	2.308	1	30		IEEFLM
COc1ccc(-c2c(C#N)c([O-])n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1	ZINC000001650957	562923840	/nfs/dbraw/zinc/92/38/40/562923840.db2.gz	JVFSFNVFNFLTKC-UHFFFAOYSA-N	-1	2	436.449	2.214	1	30		IEEFLM