smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(c(OC)c1[O-])C(=O)c1cccc([O-])c1C2=O	ZINC000014725213	406875970	/nfs/dbraw/zinc/87/59/70/406875970.db2.gz	NZNMYTVRNRXVOA-UHFFFAOYSA-N	-2	3	300.266	1.890	10	10		DDCEHL
COc1cc([O-])c2c(c1)C(=O)c1cc(CO)cc([O-])c1C2=O	ZINC000014811257	560226338	/nfs/dbraw/zinc/22/63/38/560226338.db2.gz	WJXSYUJKJSOJOG-UHFFFAOYSA-N	-2	3	300.266	1.374	10	10	biogenic,in-vitro	DDCEHL
COc1cc([O-])cc2c1C(=O)c1c([O-])cc(CO)cc1C2=O	ZINC000005999029	560109275	/nfs/dbraw/zinc/10/92/75/560109275.db2.gz	SNBGJGNOQURXCI-UHFFFAOYSA-N	-2	3	300.266	1.374	10	10	endogenous,in-man	DDCEHL
CC(=O)[N-]C1=NC(=O)C(=CNc2ccccc2C(=O)[O-])S1	ZINC000618255025	422523722	/nfs/dbraw/zinc/52/37/22/422523722.db2.gz	NJISVKLXPWWGOX-POHAHGRESA-N	-2	3	305.315	1.404	10	10		DDCEHL
O=C([O-])c1c([O-])c(O)c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000004098700	290898407	/nfs/dbraw/zinc/89/84/07/290898407.db2.gz	OOKBSCGBRWBGFL-UHFFFAOYSA-N	-2	3	300.222	1.277	10	10	biogenic,in-vitro	DDCEHL
CC(=O)[N-]C1=NC(=O)C(=CNc2ccc(C(=O)[O-])cc2)S1	ZINC000618255327	422522920	/nfs/dbraw/zinc/52/29/20/422522920.db2.gz	XJMVNCAULBWVKE-POHAHGRESA-N	-2	3	305.315	1.404	10	10		DDCEHL
CC(=O)[N-]C1=NC(=O)C(=CNc2cccc(C(=O)[O-])c2)S1	ZINC000618255051	422522677	/nfs/dbraw/zinc/52/26/77/422522677.db2.gz	OJHNQTDHFWVFSV-POHAHGRESA-N	-2	3	305.315	1.404	10	10		DDCEHL
COC(=O)c1c([O-])ccc2c1C(=O)c1ccc(C)c([O-])c1C2=O	ZINC000013334442	290895828	/nfs/dbraw/zinc/89/58/28/290895828.db2.gz	VPHNLICITYBTRH-UHFFFAOYSA-N	-2	3	312.277	1.968	10	10	biogenic,in-vitro	DDCEHL
Cc1cc2c(c(O)c1C(=O)[O-])C(=O)c1c([O-])cc([O-])cc1C2=O	ZINC000006070262	560204998	/nfs/dbraw/zinc/20/49/98/560204998.db2.gz	UZOHDKGTYVTYDZ-UHFFFAOYSA-N	-3	3	314.249	1.585	10	10	in-vitro	DDCEHL
O=C1c2ccc(S(=O)(=O)[O-])cc2C(=O)c2c([O-])ccc(O)c21	ZINC000038652636	183005541	/nfs/dbraw/zinc/00/55/41/183005541.db2.gz	TUAYNBIXNNFSGQ-UHFFFAOYSA-N	-2	3	320.278	1.120	10	10		DDCEHL
O=C1c2ccc(S(=O)(=O)[O-])cc2C(=O)c2c(O)ccc([O-])c21	ZINC000038652636	183005542	/nfs/dbraw/zinc/00/55/42/183005542.db2.gz	TUAYNBIXNNFSGQ-UHFFFAOYSA-N	-2	3	320.278	1.120	10	10		DDCEHL
O=c1cc(-c2ccc(O)c(O)c2)oc2cc([O-])c(O)c([O-])c12	ZINC000006092198	181312158	/nfs/dbraw/zinc/31/21/58/181312158.db2.gz	VYAKIUWQLHRZGK-UHFFFAOYSA-N	-2	3	302.238	1.988	10	10	endogenous,in-man	DDCEHL
COc1cc([O-])c2c(c1)C(=O)c1cc(C)c([O-])c(O)c1C2=O	ZINC000006070305	181310528	/nfs/dbraw/zinc/31/05/28/181310528.db2.gz	IOPGGNYCFGEWPF-UHFFFAOYSA-N	-2	3	300.266	1.896	10	10		DDCEHL
O=c1cc(-c2cc(O)c([O-])c(O)c2O)oc2cc([O-])ccc12	ZINC000006567222	560206141	/nfs/dbraw/zinc/20/61/41/560206141.db2.gz	LDAGXWNIKJJGNC-UHFFFAOYSA-N	-2	3	302.238	1.988	10	10	in-vitro	DDCEHL
O=c1cc(-c2cc(O)c(O)cc2O)oc2cc([O-])cc([O-])c12	ZINC000006523948	181349231	/nfs/dbraw/zinc/34/92/31/181349231.db2.gz	DSNIERNBMAVNJI-UHFFFAOYSA-N	-2	3	302.238	1.988	10	10	biogenic,in-vitro	DDCEHL
O=c1c(O)c(-c2ccc([O-])c(O)c2)oc2cc([O-])c(O)cc12	ZINC000014644604	560223638	/nfs/dbraw/zinc/22/36/38/560223638.db2.gz	HWTZYBCRDDUBJY-UHFFFAOYSA-N	-2	3	302.238	1.988	10	10	biogenic,in-vitro	DDCEHL