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]1Nc2ccc(C(=O)OC3CCCCC3)cc2[C@H]2C=CC[C@H]21	ZINC000004035567	201587984	/nfs/dbraw/zinc/58/79/84/201587984.db2.gz	ICOHVCVFOZOLOK-HDMKZQKVSA-N	-1	0	341.407	3.715	1	10		EHCFRM
CC[C@H](C)C(=O)C1=C([O-])C(CC=C(C)C)(CC=C(C)C)C(=O)C1=O	ZINC000100772806	571817232	/nfs/dbraw/zinc/81/72/32/571817232.db2.gz	GDCZKZRPSCZJKH-LSDHHAIUSA-N	-1	0	332.440	3.638	1	10	endogenous,in-man	EHCFRM
CC(C)COc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000064448000	202813314	/nfs/dbraw/zinc/81/33/14/202813314.db2.gz	GVDJNRKPWYRFAZ-UHFFFAOYSA-N	-1	0	342.347	3.612	1	10		EHCFRM
Cn1c2ccccc2c(=[NH+][N-]c2ccccc2C(=O)[O-])c2ccccc21	ZINC000073406821	216384111	/nfs/dbraw/zinc/38/41/11/216384111.db2.gz	JXOZYPCJFBLQQM-UHFFFAOYSA-N	-1	0	343.386	3.958	1	10		EHCFRM
CC[C@H](C)C(=O)C1=C([O-])C(CC=C(C)C)(CC=C(C)C)C(=O)C1=O	ZINC000100772809	571817305	/nfs/dbraw/zinc/81/73/05/571817305.db2.gz	GDCZKZRPSCZJKH-GJZGRUSLSA-N	-1	0	332.440	3.638	1	10	endogenous,in-man	EHCFRM
O=C([O-])[C@H]1Nc2ccc(C(=O)OC3CCCCC3)cc2[C@H]2C=CC[C@@H]21	ZINC000104194514	219359158	/nfs/dbraw/zinc/35/91/58/219359158.db2.gz	ICOHVCVFOZOLOK-MPGHIAIKSA-N	-1	0	341.407	3.715	1	10		EHCFRM
CC(=O)Nc1ccc(-n2[n-]c(C)c(N=Nc3ccccc3)c2=O)cc1	ZINC000102110758	219186268	/nfs/dbraw/zinc/18/62/68/219186268.db2.gz	CWPUTESRMBVLGF-QBEKEKFNSA-N	-1	0	335.367	3.520	1	10		EHCFRM
CC[C@@H](C)C(=O)C1=C([O-])C(CC=C(C)C)(CC=C(C)C)C(=O)C1=O	ZINC000100772803	571817319	/nfs/dbraw/zinc/81/73/19/571817319.db2.gz	GDCZKZRPSCZJKH-HUUCEWRRSA-N	-1	0	332.440	3.638	1	10	endogenous,in-man	EHCFRM
O=C([O-])c1ccccc1NNC1=c2cc([N+](=O)[O-])ccc2=NC1=O	ZINC000102343481	219196385	/nfs/dbraw/zinc/19/63/85/219196385.db2.gz	VDWIKAWAMKZYSW-ZCXUNETKSA-N	-1	0	326.268	3.895	1	10		EHCFRM
Cc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)[N-]C(=O)NC3=O)c2c1	ZINC000073139124	216354995	/nfs/dbraw/zinc/35/49/95/216354995.db2.gz	YMHBBZKNSBDLPM-UHFFFAOYSA-N	-1	0	345.358	3.733	1	10		EHCFRM
O=C([O-])c1ccc2c(c1)/C(=C\Cn1ccnc1)c1ccccc1CO2	ZINC000096209998	218686666	/nfs/dbraw/zinc/68/66/66/218686666.db2.gz	JXRWSKFOTOHQDH-IDUWFGFVSA-N	-1	0	332.359	3.606	1	10		EHCFRM
COc1c([O-])c(CC=C(C)C)cc2c([O-])c3c(=O)c(O)ccc-3oc21	ZINC000014763034	291001231	/nfs/dbraw/zinc/00/12/31/291001231.db2.gz	SABIIYLLDNDAHN-UHFFFAOYSA-N	-1	0	342.347	3.580	1	10	biogenic,in-vitro	EHCFRM
Nc1[n-]n2c(nc3c(c2=O)CCCC3)c1N=Nc1ccc(Cl)cc1	ZINC000102748110	219227412	/nfs/dbraw/zinc/22/74/12/219227412.db2.gz	AHAXNFPMQFNVNG-MRCUWXFGSA-N	-1	0	342.790	3.965	1	10		EHCFRM
Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)[O-])ccc1-c1ccccc1	ZINC000073279958	216372546	/nfs/dbraw/zinc/37/25/46/216372546.db2.gz	CPVWMCNXWQGJBX-UHFFFAOYSA-N	-1	0	348.402	3.569	1	10		EHCFRM
CC[C@@H](C)C(=O)C1=C([O-])C(CC=C(C)C)(CC=C(C)C)C(=O)C1=O	ZINC000100772808	571817192	/nfs/dbraw/zinc/81/71/92/571817192.db2.gz	GDCZKZRPSCZJKH-CABCVRRESA-N	-1	0	332.440	3.638	1	10	endogenous,in-man	EHCFRM
O=C([O-])[C@@H]1Nc2ccc(C(=O)OC3CCCCC3)cc2[C@H]2C=CC[C@@H]21	ZINC000004035565	210106448	/nfs/dbraw/zinc/10/64/48/210106448.db2.gz	ICOHVCVFOZOLOK-RLFYNMQTSA-N	-1	0	341.407	3.715	1	10		EHCFRM
CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N\N1CCSCC1	ZINC000102402075	219200778	/nfs/dbraw/zinc/20/07/78/219200778.db2.gz	HBMNUHXPDAGUEP-HNENSFHCSA-N	-1	0	336.392	3.531	1	10		EHCFRM
Nc1[n-]n2c(nc3c(c2=O)CCCC3)c1N=Nc1ccc(Cl)cc1	ZINC000101830094	219165994	/nfs/dbraw/zinc/16/59/94/219165994.db2.gz	AHAXNFPMQFNVNG-QZQOTICOSA-N	-1	0	342.790	3.965	1	10		EHCFRM