smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1cc(=O)oc2c(CC=C(C)C)c([O-])c(C(=O)[C@H](C)CC)c([O-])c12	ZINC000014586022	574413514	/nfs/dbraw/zinc/41/35/14/574413514.db2.gz	PQMOXTJVIYEOQL-CYBMUJFWSA-N	-2	3	372.461	4.894	1	0	endogenous,in-man	FJAFHL
Cc1cccc(COc2cc(=O)c3c([O-])c([O-])c(-c4ccccc4)oc-3c2)c1	ZINC000064539914	205299944	/nfs/dbraw/zinc/29/99/44/205299944.db2.gz	WADKVKPBLNCBLK-UHFFFAOYSA-N	-2	3	374.392	4.759	1	0		FJAFHL
CC(C)=CCC/C(C)=C/CCCC[C@@H](P(=O)([O-])[O-])[P@](C)(=O)[O-]	ZINC000013742061	211056371	/nfs/dbraw/zinc/05/63/71/211056371.db2.gz	TXSAXNBTLJLALN-YVGNARHYSA-N	-3	3	352.348	4.644	1	0		FJAFHL
[O-]c1cc2nc(-c3ccc([O-])c(C(F)(F)F)c3)oc2c(Br)c1	ZINC000013583643	211041177	/nfs/dbraw/zinc/04/11/77/211041177.db2.gz	YLDACOWFAJBPMW-UHFFFAOYSA-N	-2	3	374.112	4.687	1	0		FJAFHL
Cc1ccc(COc2cc(=O)c3c([O-])c([O-])c(-c4ccccc4)oc-3c2)cc1	ZINC000064539758	212038455	/nfs/dbraw/zinc/03/84/55/212038455.db2.gz	CDPRAJPVFAXKDE-UHFFFAOYSA-N	-2	3	374.392	4.759	1	0		FJAFHL
Cc1ccc(COc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)cc1	ZINC000064528233	205299217	/nfs/dbraw/zinc/29/92/17/205299217.db2.gz	PYQHMCWQQCDAHX-UHFFFAOYSA-N	-2	3	374.392	4.759	1	0		FJAFHL
Cc1ccccc1COc1cc(=O)c2c([O-])c([O-])c(-c3ccccc3)oc-2c1	ZINC000064540827	205300292	/nfs/dbraw/zinc/30/02/92/205300292.db2.gz	PGXOLPWVMKRFDJ-UHFFFAOYSA-N	-2	3	374.392	4.759	1	0		FJAFHL
CCCC(=O)c1c([O-])c(CC=C(C)C)c([O-])c2c(CCC)cc(=O)oc12	ZINC000014586076	571712920	/nfs/dbraw/zinc/71/29/20/571712920.db2.gz	KXLBWJRELYDBOS-UHFFFAOYSA-N	-2	3	358.434	4.648	1	0	endogenous,in-man	FJAFHL
CCCc1cc(=O)oc2c(CC=C(C)C)c([O-])c(C(=O)[C@@H](C)CC)c([O-])c12	ZINC000014586020	574413489	/nfs/dbraw/zinc/41/34/89/574413489.db2.gz	PQMOXTJVIYEOQL-ZDUSSCGKSA-N	-2	3	372.461	4.894	1	0	endogenous,in-man	FJAFHL
CCCc1cc(=O)oc2c(C(=O)[C@@H](C)CC)c([O-])c(CC=C(C)C)c([O-])c12	ZINC000013393275	220066585	/nfs/dbraw/zinc/06/65/85/220066585.db2.gz	FSOGIJPGPZWNGO-ZDUSSCGKSA-N	-2	3	372.461	4.894	1	0	endogenous,in-man	FJAFHL
CC(C)=CCc1c2oc3c(c2ccc1[O-])COc1cc([O-])c(C=O)cc1-3	ZINC000049088268	221018930	/nfs/dbraw/zinc/01/89/30/221018930.db2.gz	AGFXXWXSPAYWMF-UHFFFAOYSA-N	-2	3	350.370	4.725	1	0	in-vivo	FJAFHL
COc1cc2oc(-c3ccc(O)cc3[O-])c(C=O)c2c([O-])c1CC=C(C)C	ZINC000015148894	220147995	/nfs/dbraw/zinc/14/79/95/220147995.db2.gz	PXSWSGDFRGTMGP-UHFFFAOYSA-N	-2	3	368.385	4.546	1	0		FJAFHL