smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(C)c([O-])c(C(=O)C=C([O-])c2ccccc2)c([O-])c1C=O	ZINC000101226052	204001588	/nfs/dbraw/zinc/00/15/88/204001588.db2.gz	NDXOLILIMMVXLG-ZSOIEALJSA-N	-3	3	328.320	3.009	1	30		EGEFHL
O=C([O-])C(=O)C=C([O-])c1cccc(NC(=O)c2ccccc2Cl)c1	ZINC000101613266	204015083	/nfs/dbraw/zinc/01/50/83/204015083.db2.gz	ZEGCNTQIBGEXIV-DHDCSXOGSA-N	-2	3	345.738	3.302	1	30		EGEFHL
Cc1c2c(cc([O-])c1Cl)O[C@]1(C2=O)C(=O)C=C([O-])C(Cl)=C1C	ZINC000003979047	560192951	/nfs/dbraw/zinc/19/29/51/560192951.db2.gz	SLAVHURDNZJSIH-HNNXBMFYSA-N	-2	3	341.146	3.205	1	30	in-vitro	EGEFHL
Cc1c2c(cc([O-])c1Cl)O[C@]1(C2=O)C([O-])=CC(=O)C(Cl)=C1C	ZINC000003979047	560192952	/nfs/dbraw/zinc/19/29/52/560192952.db2.gz	SLAVHURDNZJSIH-HNNXBMFYSA-N	-2	3	341.146	3.205	1	30	in-vitro	EGEFHL
COc1c(C)c([O-])c(C(=O)C=C([O-])c2ccccc2)c([O-])c1C=O	ZINC000101135071	219117220	/nfs/dbraw/zinc/11/72/20/219117220.db2.gz	FYPNXPAVVGQFNL-JYRVWZFOSA-N	-3	3	328.320	3.009	1	30	biogenic,in-vitro	EGEFHL
O=S(=O)([O-])c1cc([O-])c(/N=C/c2cccc([O-])c2)c2ccccc21	ZINC000098083298	219080999	/nfs/dbraw/zinc/08/09/99/219080999.db2.gz	GYCLWQFLEPHENJ-VCHYOVAHSA-N	-3	3	343.360	3.248	1	30		EGEFHL
O=C(/C=C/c1ccccc1Br)c1c([O-])cc(O)cc1[O-]	ZINC000103204458	219269764	/nfs/dbraw/zinc/26/97/64/219269764.db2.gz	QZNKLNATVNIMII-AATRIKPKSA-N	-2	3	335.153	3.462	1	30		EGEFHL
COc1ccc(-c2cc(-c3ccc(O)cc3[O-])c(C#N)c(=O)[n-]2)cc1	ZINC000009704044	211118347	/nfs/dbraw/zinc/11/83/47/211118347.db2.gz	RXYMZZBJGJGSPW-UHFFFAOYSA-N	-2	3	334.331	3.000	1	30		EGEFHL
C=CC(C)(C)c1c([O-])c2c([O-])c3ccc([O-])c(O)c3oc-2cc1=O	ZINC000013412058	560216576	/nfs/dbraw/zinc/21/65/76/560216576.db2.gz	AIUQKYDJHSRTBI-UHFFFAOYSA-N	-3	3	328.320	3.232	1	30	biogenic,in-vitro	EGEFHL
C=CC(C)(C)c1c(=O)cc([O-])c2c([O-])c3cc(O)c([O-])cc3oc1-2	ZINC000015121024	560228733	/nfs/dbraw/zinc/22/87/33/560228733.db2.gz	FJCLLPPQHWALHG-UHFFFAOYSA-N	-3	3	328.320	3.232	1	30	biogenic,in-vitro	EGEFHL
CCCOc1ccc(/C=C2/Oc3c(ccc([O-])c3O)C2=O)c([O-])c1	ZINC000027426895	202154973	/nfs/dbraw/zinc/15/49/73/202154973.db2.gz	IKJHPAOZXRMGAG-OVCLIPMQSA-N	-2	3	328.320	3.208	1	30		EGEFHL
Cc1c2c(cc([O-])c1Cl)O[C@@]1(C2=O)C(=O)C=C([O-])C(Cl)=C1C	ZINC000003979048	560192966	/nfs/dbraw/zinc/19/29/66/560192966.db2.gz	SLAVHURDNZJSIH-OAHLLOKOSA-N	-2	3	341.146	3.205	1	30	in-vitro	EGEFHL
Cc1c2c(cc([O-])c1Cl)O[C@@]1(C2=O)C([O-])=CC(=O)C(Cl)=C1C	ZINC000003979048	560192967	/nfs/dbraw/zinc/19/29/67/560192967.db2.gz	SLAVHURDNZJSIH-OAHLLOKOSA-N	-2	3	341.146	3.205	1	30	in-vitro	EGEFHL
O=C([O-])C(=O)C=C([O-])c1cccc(NC(=O)c2cccc(Cl)c2)c1	ZINC000101680791	219156427	/nfs/dbraw/zinc/15/64/27/219156427.db2.gz	LSLRLUDNDMWLQP-DHDCSXOGSA-N	-2	3	345.738	3.302	1	30		EGEFHL
O=C(/C=C/c1cccc(Br)c1)c1c([O-])cc(O)cc1[O-]	ZINC000040394117	213296380	/nfs/dbraw/zinc/29/63/80/213296380.db2.gz	HDWZMQFKIZQKSI-SNAWJCMRSA-N	-2	3	335.153	3.462	1	30		EGEFHL
CCC([O-])=C1c2ccc(NC(=O)c3cccs3)cc2N([O-])C1=O	ZINC000103238415	219273385	/nfs/dbraw/zinc/27/33/85/219273385.db2.gz	HKTKILNPKQFCMH-OWBHPGMISA-N	-2	3	330.365	3.415	1	30		EGEFHL