smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)C(=CNCCc2ccc(O)c(O)c2)c2ccccc21	ZINC000040950256	183150564	/nfs/dbraw/zinc/15/05/64/183150564.db2.gz	YGRPGFBUNPPGAB-UVTDQMKNSA-N	-1	3	324.336	1.541	1	10		DDCFHM
COc1c([O-])cc2c(c1O)C(=O)c1c(O)ccc(O)c1C2=O	ZINC000014639492	290896514	/nfs/dbraw/zinc/89/65/14/290896514.db2.gz	ZAFTVWGDFRXJAF-UHFFFAOYSA-N	-1	3	302.238	1.293	1	10	biogenic,in-vitro	DDCFHM
O=C(O[C@H]1COc2cc(O)cc(O)c2C1)c1ccc([O-])c(O)c1	ZINC000013438114	181850156	/nfs/dbraw/zinc/85/01/56/181850156.db2.gz	KYCOPOHRIRSVPY-SNVBAGLBSA-N	-1	3	318.281	1.670	1	10		DDCFHM
O=C1c2c(O)c(O)c([O-])cc2OC[C@@H]1Cc1ccc(O)cc1	ZINC000014811038	560226355	/nfs/dbraw/zinc/22/63/55/560226355.db2.gz	APKVASRNWQNFEN-VIFPVBQESA-N	-1	3	302.282	1.943	1	10	biogenic,in-vitro	DDCFHM
O=C1C[C@H]2C(=O)Oc3c(O)c([O-])cc4c3[C@H]2C(OC4=O)C1=O	ZINC000101318232	560052348	/nfs/dbraw/zinc/05/23/48/560052348.db2.gz	LSOAQVKTUMQNCQ-NFNCENRGSA-N	-1	3	304.210	1.112	1	10	biogenic,in-vitro	DDCFHM
O=C1[N-]C(=O)/C(=C\NCc2ccc(O)c(O)c2)c2ccccc21	ZINC000040845458	183140703	/nfs/dbraw/zinc/14/07/03/183140703.db2.gz	IZEARPXQOBMDEK-LCYFTJDESA-N	-1	3	310.309	1.499	1	10		DDCFHM
COC(=O)Cc1cc(O)c2c(c1[O-])C(=O)c1ccccc1C2=O	ZINC000005885725	181292945	/nfs/dbraw/zinc/29/29/45/181292945.db2.gz	GANZBZTUAZSPKG-UHFFFAOYSA-N	-1	3	312.277	1.589	1	10		DDCFHM
COC(=O)Cc1cc([O-])c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000005885725	181292947	/nfs/dbraw/zinc/29/29/47/181292947.db2.gz	GANZBZTUAZSPKG-UHFFFAOYSA-N	-1	3	312.277	1.589	1	10		DDCFHM
CNC(=O)c1cc(F)ccc1CNC(=O)c1cccc(O)c1[O-]	ZINC000072142442	191048752	/nfs/dbraw/zinc/04/87/52/191048752.db2.gz	SUUDWLMUXGPHRL-UHFFFAOYSA-N	-1	3	318.304	1.527	1	10		DDCFHM