smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H]1[C@H]2CC[C@H](O2)[C@H]1C(=O)NCC[NH+]1CCOCC1	ZINC000028863909	171578037	/nfs/dbraw/zinc/57/80/37/171578037.db2.gz	RPUKEJQAGJDNFN-QCNOEVLYSA-N	0	2	298.339	-0.687	1	0		CBAFLN
[NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069486978	574415914	/nfs/dbraw/zinc/41/59/14/574415914.db2.gz	ZEKHAUDCFRBDFW-SSDOTTSWSA-N	0	2	284.272	-0.454	1	0	endogenous,in-vitro	CBAFLN
O=C([O-])[C@H](Cc1c[nH+]c[nH]1)N1C(=O)[C@@H]2CSC[C@@H]2C1=O	ZINC000049110690	526306892	/nfs/dbraw/zinc/30/68/92/526306892.db2.gz	ALVPQQSWBNGNKL-YIZRAAEISA-N	0	2	295.320	-0.247	1	0		CBAFLN
O=C([O-])[C@H](Cc1c[nH]c[nH+]1)N1C(=O)[C@@H]2CSC[C@@H]2C1=O	ZINC000049110690	526306897	/nfs/dbraw/zinc/30/68/97/526306897.db2.gz	ALVPQQSWBNGNKL-YIZRAAEISA-N	0	2	295.320	-0.247	1	0		CBAFLN
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100386574	574417625	/nfs/dbraw/zinc/41/76/25/574417625.db2.gz	GTIASILWVZVLKM-ZETCQYMHSA-N	0	2	284.272	-0.454	1	0	endogenous,in-vitro	CBAFLN
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000100386574	574417626	/nfs/dbraw/zinc/41/76/26/574417626.db2.gz	GTIASILWVZVLKM-ZETCQYMHSA-N	0	2	284.272	-0.454	1	0	endogenous,in-vitro	CBAFLN
[NH3+][C@@H](CC(=O)[O-])C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000069486530	574415722	/nfs/dbraw/zinc/41/57/22/574415722.db2.gz	PYVHTCWXTWUMMP-LURJTMIESA-N	0	2	270.245	-0.845	1	0	endogenous,in-vitro	CBAFLN
[NH3+][C@@H](CC(=O)[O-])C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000069486530	574415723	/nfs/dbraw/zinc/41/57/23/574415723.db2.gz	PYVHTCWXTWUMMP-LURJTMIESA-N	0	2	270.245	-0.845	1	0	endogenous,in-vitro	CBAFLN
[NH3+][C@H](CCC(=O)[O-])C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100386571	574417603	/nfs/dbraw/zinc/41/76/03/574417603.db2.gz	GTIASILWVZVLKM-SSDOTTSWSA-N	0	2	284.272	-0.454	1	0	endogenous,in-vitro	CBAFLN
[NH3+][C@H](CCC(=O)[O-])C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000100386571	574417604	/nfs/dbraw/zinc/41/76/04/574417604.db2.gz	GTIASILWVZVLKM-SSDOTTSWSA-N	0	2	284.272	-0.454	1	0	endogenous,in-vitro	CBAFLN
C[NH+]1CCN(C(=O)c2ccn(CC(=O)[O-])n2)CC1	ZINC000020316062	171146307	/nfs/dbraw/zinc/14/63/07/171146307.db2.gz	CLINSTJHGQETPE-UHFFFAOYSA-N	0	2	252.274	-0.645	1	0		CBAFLN
O=C([O-])[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)CC2)[C@H]2C=C[C@@H]1C2	ZINC000013147289	304159794	/nfs/dbraw/zinc/15/97/94/304159794.db2.gz	ROYMUXAWZLOZIB-LOWDOPEQSA-N	0	2	294.351	-0.354	1	0		CBAFLN
[NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC(CC(=O)[O-])C(=O)[O-]	ZINC000069486963	574415925	/nfs/dbraw/zinc/41/59/25/574415925.db2.gz	RLJSEGMSBCMIFN-ZCFIWIBFSA-N	0	2	270.245	-0.845	1	0	endogenous,in-vitro	CBAFLN
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CC[NH+](CCO)CC1	ZINC000169366983	304155560	/nfs/dbraw/zinc/15/55/60/304155560.db2.gz	ROYMUXAWZLOZIB-QNWHQSFQSA-N	0	2	294.351	-0.354	1	0		CBAFLN
O=C([O-])[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)NCC[NH+]1CCOCC1	ZINC000028863905	171578121	/nfs/dbraw/zinc/57/81/21/171578121.db2.gz	RPUKEJQAGJDNFN-USZNOCQGSA-N	0	2	298.339	-0.687	1	0		CBAFLN
[NH3+][C@H](CC(=O)[O-])C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000069486525	574415709	/nfs/dbraw/zinc/41/57/09/574415709.db2.gz	PYVHTCWXTWUMMP-ZCFIWIBFSA-N	0	2	270.245	-0.845	1	0	endogenous,in-vitro	CBAFLN
[NH3+][C@H](CC(=O)[O-])C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000069486525	574415710	/nfs/dbraw/zinc/41/57/10/574415710.db2.gz	PYVHTCWXTWUMMP-ZCFIWIBFSA-N	0	2	270.245	-0.845	1	0	endogenous,in-vitro	CBAFLN
[NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069486979	574415945	/nfs/dbraw/zinc/41/59/45/574415945.db2.gz	ZEKHAUDCFRBDFW-ZETCQYMHSA-N	0	2	284.272	-0.454	1	0	endogenous,in-vitro	CBAFLN
Cc1c([O-])c(C[NH3+])c(CO[P@@](=O)([O-])O)c[n+]1C	ZINC000006232635	560205511	/nfs/dbraw/zinc/20/55/11/560205511.db2.gz	BDHMQTZHNOSTBZ-UHFFFAOYSA-O	0	2	263.210	-0.407	1	0	in-vitro	CBAFLN
Cc1c([O-])c(C[NH3+])c(CO[P@](=O)([O-])O)c[n+]1C	ZINC000006232635	560205513	/nfs/dbraw/zinc/20/55/13/560205513.db2.gz	BDHMQTZHNOSTBZ-UHFFFAOYSA-O	0	2	263.210	-0.407	1	0	in-vitro	CBAFLN
[NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(CC(=O)[O-])C(=O)[O-]	ZINC000069486967	574415936	/nfs/dbraw/zinc/41/59/36/574415936.db2.gz	RLJSEGMSBCMIFN-LURJTMIESA-N	0	2	270.245	-0.845	1	0	endogenous,in-vitro	CBAFLN
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CC[NH+](CCO)CC1	ZINC000013147290	351336201	/nfs/dbraw/zinc/33/62/01/351336201.db2.gz	ROYMUXAWZLOZIB-RNJOBUHISA-N	0	2	294.351	-0.354	1	0		CBAFLN