smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc([C@H](C(P(=O)([O-])O)[P@@](=O)([O-])O)[C@@H](C#N)c2nc3ccccc3s2)cc1	ZINC000040952798	563160040	/nfs/dbraw/zinc/16/00/40/563160040.db2.gz	DJJOORRXUNKBOH-PBHICJAKSA-N	-2	2	481.407	3.435	1	30		JGEFLL
CN(C)c1ccc([C@H](C(P(=O)([O-])O)[P@](=O)([O-])O)[C@@H](C#N)c2nc3ccccc3s2)cc1	ZINC000040952798	563160041	/nfs/dbraw/zinc/16/00/41/563160041.db2.gz	DJJOORRXUNKBOH-PBHICJAKSA-N	-2	2	481.407	3.435	1	30		JGEFLL
N#C[C@@H](c1nc2ccccc2s1)[C@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040424632	563142983	/nfs/dbraw/zinc/14/29/83/563142983.db2.gz	SXGOGYXAHCFUEK-ABAIWWIYSA-N	-2	2	483.335	3.277	1	30		JGEFLL
N#C[C@@H](c1nc2ccccc2s1)[C@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040424632	563142984	/nfs/dbraw/zinc/14/29/84/563142984.db2.gz	SXGOGYXAHCFUEK-ABAIWWIYSA-N	-2	2	483.335	3.277	1	30		JGEFLL
CN(C)c1ccc([C@@H](C(P(=O)([O-])O)[P@@](=O)([O-])O)[C@H](C#N)c2nc3ccccc3s2)cc1	ZINC000040952804	563160047	/nfs/dbraw/zinc/16/00/47/563160047.db2.gz	DJJOORRXUNKBOH-WMLDXEAASA-N	-2	2	481.407	3.435	1	30		JGEFLL
CN(C)c1ccc([C@@H](C(P(=O)([O-])O)[P@](=O)([O-])O)[C@H](C#N)c2nc3ccccc3s2)cc1	ZINC000040952804	563160048	/nfs/dbraw/zinc/16/00/48/563160048.db2.gz	DJJOORRXUNKBOH-WMLDXEAASA-N	-2	2	481.407	3.435	1	30		JGEFLL
N#C[C@H](c1nc2ccccc2s1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040955765	563160859	/nfs/dbraw/zinc/16/08/59/563160859.db2.gz	NKWDSBQWPMDCHM-SWLSCSKDSA-N	-2	2	483.335	3.277	1	30		JGEFLL
N#C[C@H](c1nc2ccccc2s1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040955765	563160860	/nfs/dbraw/zinc/16/08/60/563160860.db2.gz	NKWDSBQWPMDCHM-SWLSCSKDSA-N	-2	2	483.335	3.277	1	30		JGEFLL
CCCCCCCOc1c(OC)cc(CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])C(=O)[O-])cc1OC	ZINC000043706219	563170986	/nfs/dbraw/zinc/17/09/86/563170986.db2.gz	HDOMCUCZYPZMJY-UHFFFAOYSA-N	-2	2	484.546	3.004	1	30		JGEFLL
CN(C)c1ccc([C@H](C(P(=O)([O-])O)[P@@](=O)([O-])O)[C@H](C#N)c2nc3ccccc3s2)cc1	ZINC000040952802	563160091	/nfs/dbraw/zinc/16/00/91/563160091.db2.gz	DJJOORRXUNKBOH-YOEHRIQHSA-N	-2	2	481.407	3.435	1	30		JGEFLL
CN(C)c1ccc([C@H](C(P(=O)([O-])O)[P@](=O)([O-])O)[C@H](C#N)c2nc3ccccc3s2)cc1	ZINC000040952802	563160092	/nfs/dbraw/zinc/16/00/92/563160092.db2.gz	DJJOORRXUNKBOH-YOEHRIQHSA-N	-2	2	481.407	3.435	1	30		JGEFLL
N#C[C@@H](c1nc2ccccc2s1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040955768	563160832	/nfs/dbraw/zinc/16/08/32/563160832.db2.gz	NKWDSBQWPMDCHM-IUODEOHRSA-N	-2	2	483.335	3.277	1	30		JGEFLL
N#C[C@@H](c1nc2ccccc2s1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040955768	563160833	/nfs/dbraw/zinc/16/08/33/563160833.db2.gz	NKWDSBQWPMDCHM-IUODEOHRSA-N	-2	2	483.335	3.277	1	30		JGEFLL
N#C[C@H](c1nc2ccccc2s1)[C@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040955771	563160820	/nfs/dbraw/zinc/16/08/20/563160820.db2.gz	NKWDSBQWPMDCHM-WFASDCNBSA-N	-2	2	483.335	3.277	1	30		JGEFLL
N#C[C@H](c1nc2ccccc2s1)[C@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040955771	563160821	/nfs/dbraw/zinc/16/08/21/563160821.db2.gz	NKWDSBQWPMDCHM-WFASDCNBSA-N	-2	2	483.335	3.277	1	30		JGEFLL
CN(C)c1ccc([C@@H](C(P(=O)([O-])O)[P@@](=O)([O-])O)[C@@H](C#N)c2nc3ccccc3s2)cc1	ZINC000040952800	563160023	/nfs/dbraw/zinc/16/00/23/563160023.db2.gz	DJJOORRXUNKBOH-RHSMWYFYSA-N	-2	2	481.407	3.435	1	30		JGEFLL
CN(C)c1ccc([C@@H](C(P(=O)([O-])O)[P@](=O)([O-])O)[C@@H](C#N)c2nc3ccccc3s2)cc1	ZINC000040952800	563160024	/nfs/dbraw/zinc/16/00/24/563160024.db2.gz	DJJOORRXUNKBOH-RHSMWYFYSA-N	-2	2	481.407	3.435	1	30		JGEFLL
N#C[C@H](c1nc2ccccc2s1)[C@@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040424638	563143002	/nfs/dbraw/zinc/14/30/02/563143002.db2.gz	SXGOGYXAHCFUEK-XHDPSFHLSA-N	-2	2	483.335	3.277	1	30		JGEFLL
N#C[C@H](c1nc2ccccc2s1)[C@@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040424638	563143003	/nfs/dbraw/zinc/14/30/03/563143003.db2.gz	SXGOGYXAHCFUEK-XHDPSFHLSA-N	-2	2	483.335	3.277	1	30		JGEFLL
N#C[C@@H](c1nc2ccccc2s1)[C@@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040424634	563142971	/nfs/dbraw/zinc/14/29/71/563142971.db2.gz	SXGOGYXAHCFUEK-IAQYHMDHSA-N	-2	2	483.335	3.277	1	30		JGEFLL
N#C[C@@H](c1nc2ccccc2s1)[C@@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040424634	563142972	/nfs/dbraw/zinc/14/29/72/563142972.db2.gz	SXGOGYXAHCFUEK-IAQYHMDHSA-N	-2	2	483.335	3.277	1	30		JGEFLL
N#C[C@H](c1nc2ccccc2s1)[C@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040424636	563142978	/nfs/dbraw/zinc/14/29/78/563142978.db2.gz	SXGOGYXAHCFUEK-NHYWBVRUSA-N	-2	2	483.335	3.277	1	30		JGEFLL
N#C[C@H](c1nc2ccccc2s1)[C@H](c1ccccc1[N+](=O)[O-])C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040424636	563142979	/nfs/dbraw/zinc/14/29/79/563142979.db2.gz	SXGOGYXAHCFUEK-NHYWBVRUSA-N	-2	2	483.335	3.277	1	30		JGEFLL
N#C[C@@H](c1nc2ccccc2s1)[C@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000040955774	563160854	/nfs/dbraw/zinc/16/08/54/563160854.db2.gz	NKWDSBQWPMDCHM-DOMZBBRYSA-N	-2	2	483.335	3.277	1	30		JGEFLL
N#C[C@@H](c1nc2ccccc2s1)[C@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000040955774	563160855	/nfs/dbraw/zinc/16/08/55/563160855.db2.gz	NKWDSBQWPMDCHM-DOMZBBRYSA-N	-2	2	483.335	3.277	1	30		JGEFLL