smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2c([O-])cc([O-])cc2oc(=O)c1-c1ccccc1	ZINC000002573898	368466377	/nfs/dbraw/zinc/46/63/77/368466377.db2.gz	ZKOFZYMXJHXIOK-UHFFFAOYSA-N	-2	3	268.268	3.180	40	0		CGABHL
O=C(Nc1ccccc1[O-])n1[n-]c(-c2ccccc2)cc1=O	ZINC000009926851	170391127	/nfs/dbraw/zinc/39/11/27/170391127.db2.gz	UPQXWHBQTRCUBK-UHFFFAOYSA-N	-2	3	295.298	3.042	40	0		CGABHL
CCn1c(-c2cc3ccccc3cc2[O-])n[n-]c1=S	ZINC000018098916	368738972	/nfs/dbraw/zinc/73/89/72/368738972.db2.gz	MGJTUWIRWFUWOF-UHFFFAOYSA-N	-2	3	271.345	3.486	40	0		CGABHL
CC(C)c1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000257240966	190018398	/nfs/dbraw/zinc/01/83/98/190018398.db2.gz	HVZOAZLOGWQYLN-UHFFFAOYSA-N	-2	3	299.326	3.466	40	0		CGABHL
O=C([O-])c1cc2[nH]c(-c3ccccc3)cc2c([O-])c1	ZINC000066089588	369687813	/nfs/dbraw/zinc/68/78/13/369687813.db2.gz	ZAZUFHGBVSPBIN-UHFFFAOYSA-N	-2	3	253.257	3.239	40	0		CGABHL
O=C(CCCC(=O)c1ccc([O-])cc1)c1ccc([O-])cc1	ZINC000002571472	368466145	/nfs/dbraw/zinc/46/61/45/368466145.db2.gz	PCLZJNZZJDVGDM-UHFFFAOYSA-N	-2	3	284.311	3.334	40	0		CGABHL
Cc1oc2cc([O-])ccc2c(=O)c1-c1nc2ccccc2[n-]1	ZINC000005445848	302872717	/nfs/dbraw/zinc/87/27/17/302872717.db2.gz	YWGPPYHEKOODTF-UHFFFAOYSA-N	-2	3	292.294	3.350	40	0		CGABHL
COc1ccc(-c2c(C)c3c([O-])cc([O-])cc3oc2=O)cc1	ZINC000002573896	368466927	/nfs/dbraw/zinc/46/69/27/368466927.db2.gz	LDPFFBMVNPOFIZ-UHFFFAOYSA-N	-2	3	298.294	3.188	40	0		CGABHL
O=Cc1cc(-c2ccc(C(=O)[O-])c(Cl)c2)ccc1[O-]	ZINC000096312804	345902513	/nfs/dbraw/zinc/90/25/13/345902513.db2.gz	UBUIIWVDIASBKB-UHFFFAOYSA-N	-2	3	276.675	3.223	40	0		CGABHL
COc1ccccc1-c1c(C)oc2cc([O-])cc([O-])c2c1=O	ZINC000006008303	170167573	/nfs/dbraw/zinc/16/75/73/170167573.db2.gz	LTCPWBCPTSNVEV-UHFFFAOYSA-N	-2	3	298.294	3.188	40	0		CGABHL
Cc1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc12	ZINC000028631041	280250606	/nfs/dbraw/zinc/25/06/06/280250606.db2.gz	WSWZVNSJDDRIHL-UHFFFAOYSA-N	-2	3	268.268	3.180	40	0		CGABHL
O=C1[N-]C(=O)C(=Cc2cc(Cl)c([O-])c(Cl)c2)S1	ZINC000113834776	370484702	/nfs/dbraw/zinc/48/47/02/370484702.db2.gz	KCANXTVYPGGMCU-XVNBXDOJSA-N	-2	3	290.127	3.023	40	0		CGABHL
CCCc1nc(SC(=Cc2cccs2)C(=O)[O-])n[n-]1	ZINC000213377997	346287439	/nfs/dbraw/zinc/28/74/39/346287439.db2.gz	DIKOPATXLFSEOI-CLFYSBASSA-N	-2	3	295.389	3.037	40	0		CGABHL
CCOc1ccccc1C([O-])=CC(=O)c1ccccc1[O-]	ZINC000113704256	392384469	/nfs/dbraw/zinc/38/44/69/392384469.db2.gz	YOBDHGGZLQMUPY-UHFFFAOYSA-N	-2	3	284.311	3.247	40	0		CGABHL
O=C1[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2[O-])S1	ZINC000003029930	280278143	/nfs/dbraw/zinc/27/81/43/280278143.db2.gz	UIDBNPABMIQKIS-FARCUNLSSA-N	-2	3	290.127	3.023	40	0		CGABHL
CC1(C)CCc2c(cc([O-])c(C(=O)c3ccccc3)c2[O-])O1	ZINC000087493014	370027612	/nfs/dbraw/zinc/02/76/12/370027612.db2.gz	IZKXPLQWLQOBPG-UHFFFAOYSA-N	-2	3	298.338	3.432	40	0	biogenic	CGABHL