smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C([O-])C(=O)c2c(O)c([O-])c(O)cc2C1=O	ZINC000073161481	168088054	/nfs/dbraw/zinc/08/80/54/168088054.db2.gz	HKCLPJCTYILTPU-UHFFFAOYSA-N	-2	3	236.179	1.014	1	30		BDEFHL
COc1ccc2c(c1)CC(C(=O)C(=O)[O-])=C2[O-]	ZINC000084704399	175207509	/nfs/dbraw/zinc/20/75/09/175207509.db2.gz	VOYYWEMYMYOLCI-UHFFFAOYSA-N	-2	3	234.207	1.174	1	30		BDEFHL
COc1ccccc1Nc1occ([O-])c1C(=O)[O-]	ZINC000102192862	175336963	/nfs/dbraw/zinc/33/69/63/175336963.db2.gz	PXRDEUDFNVNRCN-UHFFFAOYSA-N	-2	3	249.222	1.003	1	30		BDEFHL
CC1=C([O-])c2cc([O-])c(O)cc2C(=O)C1=O	ZINC000014815154	168088398	/nfs/dbraw/zinc/08/83/98/168088398.db2.gz	NFPCJUXQJHJTIF-UHFFFAOYSA-N	-2	3	220.180	1.309	1	30	in-vitro	BDEFHL
CC1=C([O-])C(=O)c2cc(O)c([O-])cc2C1=O	ZINC000014815154	168088399	/nfs/dbraw/zinc/08/83/99/168088399.db2.gz	NFPCJUXQJHJTIF-UHFFFAOYSA-N	-2	3	220.180	1.309	1	30	in-vitro	BDEFHL
COc1ccccc1[C@@H](S)P(=O)([O-])[O-]	ZINC000053314725	175346977	/nfs/dbraw/zinc/34/69/77/175346977.db2.gz	QXHIPTMANGQMPP-MRVPVSSYSA-N	-2	3	234.213	1.801	1	30	in-vivo	BDEFHL
O=c1[nH][n-]cc1C=Nc1ccccc1[O-]	ZINC000101702547	183299880	/nfs/dbraw/zinc/29/98/80/183299880.db2.gz	HHLTTWFOKRIVEK-VZUCSPMQSA-N	-2	3	203.201	1.572	1	30		BDEFHL
CC(=O)N([O-])C[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000013530348	188105982	/nfs/dbraw/zinc/10/59/82/188105982.db2.gz	UWUIRLDVHDDVLT-NSHDSACASA-N	-2	3	237.255	1.168	1	30		BDEFHL
CC1=C([O-])C(=O)c2c(O)c([O-])ccc2C1=O	ZINC000014815160	168087858	/nfs/dbraw/zinc/08/78/58/168087858.db2.gz	WFQKUYOFSQOXMH-UHFFFAOYSA-N	-2	3	220.180	1.309	1	30		BDEFHL
N#Cc1cc(-n2cc(C(=O)[O-])cn2)ccc1[O-]	ZINC000027992528	181082192	/nfs/dbraw/zinc/08/21/92/181082192.db2.gz	KWWAVZYQYBZPOO-UHFFFAOYSA-N	-2	3	229.195	1.148	1	30		BDEFHL
O=C([O-])C(=O)C1=C([O-])c2ccccc2OC1	ZINC000084704396	182415717	/nfs/dbraw/zinc/41/57/17/182415717.db2.gz	YRLRAIGVYRXSHV-UHFFFAOYSA-N	-2	3	220.180	1.002	1	30		BDEFHL
COc1ccccc1[C@H](S)P(=O)([O-])[O-]	ZINC000053314722	175354331	/nfs/dbraw/zinc/35/43/31/175354331.db2.gz	QXHIPTMANGQMPP-QMMMGPOBSA-N	-2	3	234.213	1.801	1	30	in-vivo	BDEFHL
O=C([O-])C(=O)C=C([O-])c1ccccc1[N+](=O)[O-]	ZINC000101981294	188503515	/nfs/dbraw/zinc/50/35/15/188503515.db2.gz	APXXDBVLXHIFHL-UITAMQMPSA-N	-2	3	237.167	1.304	1	30		BDEFHL