smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(-c2ccc([P@@](=O)([O-])O)o2)c(CC2CCCC2)s1	ZINC000066104037	215011339	/nfs/dbraw/zinc/01/13/39/215011339.db2.gz	SIRUPMFDLIMCFT-UHFFFAOYSA-N	-1	2	328.330	2.521	1	0		EFAFLM
Nc1nc(-c2ccc([P@](=O)([O-])O)o2)c(CC2CCCC2)s1	ZINC000066104037	215011342	/nfs/dbraw/zinc/01/13/42/215011342.db2.gz	SIRUPMFDLIMCFT-UHFFFAOYSA-N	-1	2	328.330	2.521	1	0		EFAFLM
C[C@@]1(CC(=O)[O-])c2[nH]c(=O)c(=O)[nH]c2-c2cc(Cl)cc(Cl)c21	ZINC000013558302	581092609	/nfs/dbraw/zinc/09/26/09/581092609.db2.gz	GSONQSGOUMLFKL-AWEZNQCLSA-N	-1	2	341.150	2.956	1	0		EFAFLM
Nc1nc(-c2ccc([P@@](=O)([O-])O)o2)c(-c2ccc(F)cc2)s1	ZINC000066112056	215013907	/nfs/dbraw/zinc/01/39/07/215013907.db2.gz	GDKAYGMNZAKBDJ-UHFFFAOYSA-N	-1	2	340.272	2.594	1	0		EFAFLM
Nc1nc(-c2ccc([P@](=O)([O-])O)o2)c(-c2ccc(F)cc2)s1	ZINC000066112056	215013911	/nfs/dbraw/zinc/01/39/11/215013911.db2.gz	GDKAYGMNZAKBDJ-UHFFFAOYSA-N	-1	2	340.272	2.594	1	0		EFAFLM
C[C@]1(CC(=O)[O-])c2[nH]c(=O)c(=O)[nH]c2-c2cc(Cl)cc(Cl)c21	ZINC000013558303	581092529	/nfs/dbraw/zinc/09/25/29/581092529.db2.gz	GSONQSGOUMLFKL-CQSZACIVSA-N	-1	2	341.150	2.956	1	0		EFAFLM
C[C@@]1(CC(=O)[O-])c2ccc(Cl)c(Cl)c2-c2[nH]c(=O)c(=O)[nH]c21	ZINC000013558306	211579220	/nfs/dbraw/zinc/57/92/20/211579220.db2.gz	DXVPPGKVZOYOQR-CQSZACIVSA-N	-1	2	341.150	2.956	1	0		EFAFLM
Nc1nc(-c2ccc([P@@](=O)([O-])O)o2)c(C2CCCCC2)s1	ZINC000066099559	215010667	/nfs/dbraw/zinc/01/06/67/215010667.db2.gz	NXOHBQGTWFSVPD-UHFFFAOYSA-N	-1	2	328.330	2.836	1	0		EFAFLM
Nc1nc(-c2ccc([P@](=O)([O-])O)o2)c(C2CCCCC2)s1	ZINC000066099559	215010670	/nfs/dbraw/zinc/01/06/70/215010670.db2.gz	NXOHBQGTWFSVPD-UHFFFAOYSA-N	-1	2	328.330	2.836	1	0		EFAFLM
Nc1nc(-c2ccc([P@@](=O)([O-])O)o2)c(-c2cccs2)s1	ZINC000066102095	215011962	/nfs/dbraw/zinc/01/19/62/215011962.db2.gz	BINNOYSQOCDCLB-UHFFFAOYSA-N	-1	2	328.311	2.517	1	0		EFAFLM
Nc1nc(-c2ccc([P@](=O)([O-])O)o2)c(-c2cccs2)s1	ZINC000066102095	215011964	/nfs/dbraw/zinc/01/19/64/215011964.db2.gz	BINNOYSQOCDCLB-UHFFFAOYSA-N	-1	2	328.311	2.517	1	0		EFAFLM