smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2[O-])o1	ZINC000001068653	563276345	/nfs/dbraw/zinc/27/63/45/563276345.db2.gz	NPTKCEIYFKHSCV-UHFFFAOYSA-N	-2	0	323.135	4.122	50	0		DIAARL
O=C([O-])c1ccc(-c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000003147211	563322686	/nfs/dbraw/zinc/32/26/86/563322686.db2.gz	FZTIWOBQQYPTCJ-UHFFFAOYSA-N	-2	0	318.328	4.417	50	0	in-vitro	DIAARL
CC1(C)C[C@@](C)(c2ccc(C(=O)[O-])cc2)c2cc(C(=O)[O-])ccc21	ZINC000004786820	181152317	/nfs/dbraw/zinc/15/23/17/181152317.db2.gz	CDZMWAHBQLPCHD-FQEVSTJZSA-N	-2	0	324.376	4.070	50	0		DIAARL
CC1(C)C[C@](C)(c2ccccc2)c2c1ccc(C(=O)[O-])c2C(=O)[O-]	ZINC000071788808	563501615	/nfs/dbraw/zinc/50/16/15/563501615.db2.gz	MSWMMXSNEVDUKZ-HXUWFJFHSA-N	-2	0	324.376	4.070	50	0		DIAARL
O=C([O-])c1sc(C(=O)[O-])c(-c2ccccc2)c1-c1ccccc1	ZINC000001755368	563295028	/nfs/dbraw/zinc/29/50/28/563295028.db2.gz	UHMRUNRNPULYJU-UHFFFAOYSA-N	-2	0	324.357	4.479	50	0		DIAARL
CC1(C)C[C@@](C)(c2ccccc2)c2c1ccc(C(=O)[O-])c2C(=O)[O-]	ZINC000071788807	563501461	/nfs/dbraw/zinc/50/14/61/563501461.db2.gz	MSWMMXSNEVDUKZ-FQEVSTJZSA-N	-2	0	324.376	4.070	50	0		DIAARL
CCCCCCCCC(CCC(=O)[O-])(CCC(=O)[O-])C(C)=O	ZINC000136641077	1041715960	/nfs/dbraw/zinc/71/59/60/1041715960.db2.gz	IAMZCGLXLIUKKR-UHFFFAOYSA-N	-2	0	314.422	4.042	50	0		DIAARL
CC1(C)CC2=C[C@]3(C)CC(C)(C)C[C@@](C(=O)[O-])(C3)C2=C1C(=O)[O-]	ZINC000005465037	563624145	/nfs/dbraw/zinc/62/41/45/563624145.db2.gz	HHSICEPSZAUOQE-RTBURBONSA-N	-2	0	318.413	4.025	50	0		DIAARL
O=C([O-])c1cc(-c2ccccc2)c(C(=O)[O-])cc1-c1ccccc1	ZINC000038274992	563460116	/nfs/dbraw/zinc/46/01/16/563460116.db2.gz	XSLGXTDGDJULAR-UHFFFAOYSA-N	-2	0	318.328	4.417	50	0		DIAARL
O=C([O-])c1cc(C(=O)[O-])c(-c2ccccc2)c(-c2ccccc2)c1	ZINC000000393046	180775922	/nfs/dbraw/zinc/77/59/22/180775922.db2.gz	PLGLXHPMQOOCKC-UHFFFAOYSA-N	-2	0	318.328	4.417	50	0		DIAARL
Cc1sc(C)c(-c2c(C)sc(C)c2C(=O)[O-])c1C(=O)[O-]	ZINC000004419591	181109226	/nfs/dbraw/zinc/10/92/26/181109226.db2.gz	CLOAPDAJWYVLRF-UHFFFAOYSA-N	-2	0	310.396	4.107	50	0		DIAARL
CC1(C)C[C@](C)(c2ccc(C(=O)[O-])cc2)c2cc(C(=O)[O-])ccc21	ZINC000000394593	180776561	/nfs/dbraw/zinc/77/65/61/180776561.db2.gz	CDZMWAHBQLPCHD-HXUWFJFHSA-N	-2	0	324.376	4.070	50	0		DIAARL