smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@@H]2C[C@H](c3ccc(O)cc3[O-])NN2C(C)=O)c(O)c1	ZINC000028137834	202165601	/nfs/dbraw/zinc/16/56/01/202165601.db2.gz	RLHVTHFMZRZMPK-CVEARBPZSA-N	-1	3	344.367	2.351	1	10		EECFHM
CCOC(=O)/C=C/c1cc(O)c2c(c1[O-])C(=O)c1ccccc1C2=O	ZINC000040505432	213325725	/nfs/dbraw/zinc/32/57/25/213325725.db2.gz	WGKSZKUTLYMGNO-BQYQJAHWSA-N	-1	3	338.315	2.450	1	10		EECFHM
CCOC(=O)/C=C/c1cc([O-])c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000040505432	213325728	/nfs/dbraw/zinc/32/57/28/213325728.db2.gz	WGKSZKUTLYMGNO-BQYQJAHWSA-N	-1	3	338.315	2.450	1	10		EECFHM
CC1(C)Oc2cc(OC(=O)c3ccc([O-])c(O)c3)ccc2C[C@H]1O	ZINC000072176182	216064564	/nfs/dbraw/zinc/06/45/64/216064564.db2.gz	QXPNPVMNCXZYIP-MRXNPFEDSA-N	-1	3	330.336	2.391	1	10		EECFHM
COc1cc2c(c(OC)c1OC)C(=O)c1c(O)c(C)cc([O-])c1C2=O	ZINC000014647401	560223833	/nfs/dbraw/zinc/22/38/33/560223833.db2.gz	SLVDBDKSOJEDSU-UHFFFAOYSA-N	-1	3	344.319	2.207	1	10	in-vitro	EECFHM
COc1cc([O-])c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](OC)C2=O	ZINC000029037471	560091539	/nfs/dbraw/zinc/09/15/39/560091539.db2.gz	KTQFOHHZQDGISL-DLBZAZTESA-N	-1	3	332.308	2.143	1	10	biogenic,in-vitro	EECFHM
C/C=C/C(=O)OCc1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O	ZINC000103235121	219273500	/nfs/dbraw/zinc/27/35/00/219273500.db2.gz	DBAJNFVKBYXSGU-DUXPYHPUSA-N	-1	3	338.315	2.493	1	10		EECFHM
CC1(C)Oc2cc(OC(=O)c3ccc([O-])c(O)c3)ccc2C[C@@H]1O	ZINC000072176183	216065298	/nfs/dbraw/zinc/06/52/98/216065298.db2.gz	QXPNPVMNCXZYIP-INIZCTEOSA-N	-1	3	330.336	2.391	1	10		EECFHM
COc1cc([O-])c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](OC)C2=O	ZINC000029037467	202180562	/nfs/dbraw/zinc/18/05/62/202180562.db2.gz	KTQFOHHZQDGISL-IAGOWNOFSA-N	-1	3	332.308	2.143	1	10		EECFHM
O=c1cc(CNCc2ccc([N+](=O)[O-])cc2)oc2ccc(O)c([O-])c12	ZINC000071341603	203093139	/nfs/dbraw/zinc/09/31/39/203093139.db2.gz	SSQVVLPPXFYQDX-UHFFFAOYSA-N	-1	3	342.307	2.402	1	10		EECFHM
O=c1c(O)ccc2oc(CNCc3ccc([N+](=O)[O-])cc3)cc([O-])c1-2	ZINC000071341603	203093142	/nfs/dbraw/zinc/09/31/42/203093142.db2.gz	SSQVVLPPXFYQDX-UHFFFAOYSA-N	-1	3	342.307	2.402	1	10		EECFHM
COc1c(OC)c(OC)c2c(c1OC)C(=O)c1cccc([O-])c1C2=O	ZINC000014639483	560223515	/nfs/dbraw/zinc/22/35/15/560223515.db2.gz	SRUJKEFCIXYWDT-UHFFFAOYSA-N	-1	3	344.319	2.202	1	10	biogenic,in-vitro	EECFHM