smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2ccc([O-])cc2oc(-c2ccc([O-])c(O)c2)c1OCCO	ZINC000027211548	202153158	/nfs/dbraw/zinc/15/31/58/202153158.db2.gz	LQTDROCMLDYTSO-UHFFFAOYSA-N	-2	3	330.292	1.948	1	10		EDCFHL
CCC[C@H]1O[C@@H](CC(=O)[O-])C[C@@]23O[C@@]12C(=O)c1c([O-])cccc1C3=O	ZINC000015217862	560229385	/nfs/dbraw/zinc/22/93/85/560229385.db2.gz	RJPAAOHQLUUTRQ-BUDJLTQYSA-N	-2	3	346.335	1.711	1	10	in-vitro	EDCFHL
CCO[C@@H]1C(=O)C([O-])=C1Nc1ccc(NC(=O)CCCC(=O)[O-])cc1	ZINC000028523355	202171253	/nfs/dbraw/zinc/17/12/53/202171253.db2.gz	CROPCINPLOBEJH-PBHICJAKSA-N	-2	3	348.355	1.217	1	10		EDCFHL
CO[C@H](C)c1c([O-])cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000013307119	201057237	/nfs/dbraw/zinc/05/72/37/201057237.db2.gz	YUVCACNTQJHROF-ZCFIWIBFSA-N	-2	3	330.292	1.992	1	10		EDCFHL
CCCCOC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21	ZINC000101634528	204016571	/nfs/dbraw/zinc/01/65/71/204016571.db2.gz	VXJWXXXNAGXANY-QMMMGPOBSA-N	-2	3	348.307	1.923	1	10		EDCFHL
COc1cc([O-])c2c(c1)C(=O)c1cc(OC)c([O-])c(CO)c1C2=O	ZINC000070454983	560047869	/nfs/dbraw/zinc/04/78/69/560047869.db2.gz	HOOTUKAFVOGMEC-UHFFFAOYSA-N	-2	3	330.292	1.383	1	10	biogenic,in-vitro	EDCFHL
CCO[C@H]1C(=O)C([O-])=C1Nc1ccc(NC(=O)CCCC(=O)[O-])cc1	ZINC000028523354	212622989	/nfs/dbraw/zinc/62/29/89/212622989.db2.gz	CROPCINPLOBEJH-RHSMWYFYSA-N	-2	3	348.355	1.217	1	10		EDCFHL
COC(=O)c1c(C)c2c(cc1[O-])C(=O)c1cc([O-])cc(O)c1C2=O	ZINC000004716485	210257813	/nfs/dbraw/zinc/25/78/13/210257813.db2.gz	NBIBEHMMFJQZQW-UHFFFAOYSA-N	-2	3	328.276	1.674	1	10		EDCFHL
CCO[P@](=O)([O-])[C@H](N[C@H](C(=O)[O-])[C@@H](C)O)c1ccccc1[O-]	ZINC000073277051	216372700	/nfs/dbraw/zinc/37/27/00/216372700.db2.gz	OWPKNAOSOJRVNB-ZHAHWJHGSA-N	-3	3	333.277	1.036	1	10		EDCFHL
COc1c([O-])cc2c(c1OC)C(=O)c1c(O)c([O-])c(C)cc1C2=O	ZINC000014647419	560223820	/nfs/dbraw/zinc/22/38/20/560223820.db2.gz	VRTPFKPLZCEFKF-UHFFFAOYSA-N	-2	3	330.292	1.904	1	10	biogenic,in-vitro	EDCFHL
Cc1cc([O-])c2c(=O)cc3c(c-2o1)C(=O)c1c([O-])cc([O-])cc1C3=O	ZINC000014768194	201059477	/nfs/dbraw/zinc/05/94/77/201059477.db2.gz	AWDAPFGGFWZKGB-UHFFFAOYSA-N	-3	3	338.271	1.994	1	10	in-vitro	EDCFHL
O=C([O-])CCNC(=O)c1cccc2c1C(=O)c1cccc([O-])c1C2=O	ZINC000103243249	219274469	/nfs/dbraw/zinc/27/44/69/219274469.db2.gz	FWBAVMSQDGSLSJ-UHFFFAOYSA-N	-2	3	339.303	1.372	1	10		EDCFHL
CCC[C@H]1O[C@H](CC(=O)[O-])C[C@@H]2C(=O)c3cccc([O-])c3C(=O)[C@@]12O	ZINC000003782424	210075301	/nfs/dbraw/zinc/07/53/01/210075301.db2.gz	LYPPSIGDDZKHMA-ZLXWJRTRSA-N	-2	3	348.351	1.551	1	10		EDCFHL
CCCOc1ccc(N(C)C)cc1-c1ncc(-c2nn[n-]n2)c(=O)[n-]1	ZINC000039291405	213232309	/nfs/dbraw/zinc/23/23/09/213232309.db2.gz	KSTNTJJWMVBVBR-UHFFFAOYSA-N	-2	3	341.375	1.472	1	10		EDCFHL
CCCOc1ccc(N(C)C)cc1-c1ncc(-c2nnn[n-]2)c(=O)[n-]1	ZINC000039291405	213232313	/nfs/dbraw/zinc/23/23/13/213232313.db2.gz	KSTNTJJWMVBVBR-UHFFFAOYSA-N	-2	3	341.375	1.472	1	10		EDCFHL
COc1cc2c(c(OC)c1[O-])C(=O)c1c(O)c(C)cc([O-])c1C2=O	ZINC000014647399	560223745	/nfs/dbraw/zinc/22/37/45/560223745.db2.gz	BHXGNEJDWATDFR-UHFFFAOYSA-N	-2	3	330.292	1.904	1	10	biogenic,in-vitro	EDCFHL
CCC[C@@H]1O[C@@H](CC(=O)[O-])C[C@@]23O[C@@]12C(=O)c1c([O-])cccc1C3=O	ZINC000015217860	560229460	/nfs/dbraw/zinc/22/94/60/560229460.db2.gz	RJPAAOHQLUUTRQ-MLSKFCDMSA-N	-2	3	346.335	1.711	1	10	in-vitro	EDCFHL
COc1c([O-])c(OC)c2c(c1OC)C(=O)c1cccc([O-])c1C2=O	ZINC000014639480	560223473	/nfs/dbraw/zinc/22/34/73/560223473.db2.gz	MGRHBGCZDYUXJH-UHFFFAOYSA-N	-2	3	330.292	1.899	1	10	in-vitro	EDCFHL
CCO[P@](=O)([O-])[C@@H](N[C@H](C(=O)[O-])[C@@H](C)O)c1ccccc1[O-]	ZINC000073277055	203263493	/nfs/dbraw/zinc/26/34/93/203263493.db2.gz	OWPKNAOSOJRVNB-JFUSQASVSA-N	-3	3	333.277	1.036	1	10		EDCFHL
O=C([O-])c1cc([O-])c(O)cc1-c1cc2ccc([O-])c(O)c2oc1=O	ZINC000169309748	226240599	/nfs/dbraw/zinc/24/05/99/226240599.db2.gz	YBXYOZNWSFRCDQ-UHFFFAOYSA-N	-3	3	330.248	1.981	1	10		EDCFHL