smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1CCN(c2ncc([N-]S(=O)(=O)c3ccccc3C)cc2C(=O)[O-])CC1	ZINC000021883357	563025323	/nfs/dbraw/zinc/02/53/23/563025323.db2.gz	CPKMHYILIWHJDM-UHFFFAOYSA-N	-2	1	447.513	2.669	1	0		IFAFML
CCCC[C@H](NC[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026651361	563034691	/nfs/dbraw/zinc/03/46/91/563034691.db2.gz	VVIGQDQMSRGEBC-PMACEKPBSA-N	-2	1	448.456	2.749	1	0		IFAFML
CCCC[C@H](NC[P@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026651361	563034692	/nfs/dbraw/zinc/03/46/92/563034692.db2.gz	VVIGQDQMSRGEBC-PMACEKPBSA-N	-2	1	448.456	2.749	1	0		IFAFML
O=C([O-])[C@H](CCc1ccccc1)N[C@@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)[O-])N2C1=O	ZINC000027558905	563043993	/nfs/dbraw/zinc/04/39/93/563043993.db2.gz	MFPBDCIKVMSRDU-CBPXPLCBSA-N	-2	1	436.508	2.794	1	0		IFAFML
CC(C)(C)OC(=O)N1CCC([C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C(=O)[O-])CC1	ZINC000040401504	563100913	/nfs/dbraw/zinc/10/09/13/563100913.db2.gz	CFQILWOWWHSROR-QGZVFWFLSA-N	-2	1	438.502	2.811	1	0		IFAFML
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)[O-])cc1Cl	ZINC000008598685	562954368	/nfs/dbraw/zinc/95/43/68/562954368.db2.gz	BPNTUGHBWSCPIP-UHFFFAOYSA-N	-2	1	438.889	2.903	1	0		IFAFML
O=S(=O)(C=C1N[N-]C(=S)S1)c1c[n-]cc1S(=O)(=O)c1ccc(Cl)cc1	ZINC000043014410	563116776	/nfs/dbraw/zinc/11/67/76/563116776.db2.gz	IIDCOEGZOVAAHL-UHFFFAOYSA-N	-2	1	435.961	2.615	1	0		IFAFML
O=C([O-])CN(C(=O)CCCOc1ccc2[nH]c3nc(=O)[n-]c-3cc2c1)C1CCCCC1	ZINC000013725674	563001284	/nfs/dbraw/zinc/00/12/84/563001284.db2.gz	MVXMVUXKUBBNTQ-UHFFFAOYSA-N	-2	1	426.473	2.809	1	0		IFAFML
O=C([O-])[C@H](CCc1ccccc1)N[C@@H]1Cc2ccccc2[C@H]2CCC[C@H](C(=O)[O-])N2C1=O	ZINC000026491212	563032515	/nfs/dbraw/zinc/03/25/15/563032515.db2.gz	MFPBDCIKVMSRDU-DXBBTUNJSA-N	-2	1	436.508	2.794	1	0		IFAFML
O=C([O-])[C@@H](CCc1ccccc1)N[C@@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)[O-])N2C1=O	ZINC000027558903	563043997	/nfs/dbraw/zinc/04/39/97/563043997.db2.gz	MFPBDCIKVMSRDU-YSFYHYPLSA-N	-2	1	436.508	2.794	1	0		IFAFML
O=C([O-])[C@@H](CCc1ccccc1)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)[O-])N2C1=O	ZINC000027558907	563044038	/nfs/dbraw/zinc/04/40/38/563044038.db2.gz	MFPBDCIKVMSRDU-MBDNFAEBSA-N	-2	1	436.508	2.794	1	0		IFAFML
O=C([O-])[C@H](CCc1ccccc1)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)[O-])N2C1=O	ZINC000003779864	562937720	/nfs/dbraw/zinc/93/77/20/562937720.db2.gz	MFPBDCIKVMSRDU-KJJMTIBFSA-N	-2	1	436.508	2.794	1	0		IFAFML
O=C([O-])[C@H](CCc1ccccc1)N[C@@H]1Cc2ccccc2[C@@H]2CCC[C@H](C(=O)[O-])N2C1=O	ZINC000001552162	562922840	/nfs/dbraw/zinc/92/28/40/562922840.db2.gz	MFPBDCIKVMSRDU-LNRXMEIDSA-N	-2	1	436.508	2.794	1	0		IFAFML
CC(=O)c1c([O-])c(C(C)c2c(O)c(C(C)=O)c([O-])c(C(C)=O)c2O)c(O)c(C(C)=O)c1O	ZINC000073311631	563172297	/nfs/dbraw/zinc/17/22/97/563172297.db2.gz	LKGCZSHPOFNKJV-UHFFFAOYSA-N	-2	1	446.408	2.882	1	0		IFAFML