smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2cc(C)c(C(=O)[O-])nc2cc1C(=O)[O-]	ZINC000096928812	178294175	/nfs/dbraw/zinc/29/41/75/178294175.db2.gz	AWKQXENQXHPRBD-UHFFFAOYSA-N	-2	0	245.234	2.248	1	0		BEAFRL
O=Nc1c([O-])[n-]c2cccc(Cl)c2c1=O	ZINC000013757438	182879081	/nfs/dbraw/zinc/87/90/81/182879081.db2.gz	JWEVQBSNKUBXKJ-UHFFFAOYSA-N	-2	0	224.603	2.285	1	0		BEAFRL
CCCCOc1cccc(C(=O)[O-])c1C(=O)[O-]	ZINC000039270036	168919649	/nfs/dbraw/zinc/91/96/49/168919649.db2.gz	QPFBMSRTTJUMHT-UHFFFAOYSA-N	-2	0	238.239	2.262	1	0		BEAFRL
Cc1c2cc(C)c(C(=O)[O-])cc2[nH]c1C(=O)[O-]	ZINC000071341074	178278837	/nfs/dbraw/zinc/27/88/37/178278837.db2.gz	IIEOVSNZGZNVTK-UHFFFAOYSA-N	-2	0	233.223	2.181	1	0		BEAFRL
C[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])[C@@H](C)c1ccccc1	ZINC000004714440	368102094	/nfs/dbraw/zinc/10/20/94/368102094.db2.gz	AOOUEKJMMFRAPN-NGZCFLSTSA-N	-2	0	236.267	2.212	2	0		BEAFRL
CC[C@H](C(=O)[O-])c1c2ccccc2[nH]c1C(=O)[O-]	ZINC000013821253	171238373	/nfs/dbraw/zinc/23/83/73/171238373.db2.gz	ZMLNABDKOZAIDQ-ZETCQYMHSA-N	-2	0	247.250	2.444	1	0		BEAFRL
O=C([O-])/C=C\C=C\C=C\C=C/C=C/C=C\C(=O)[O-]	ZINC000014722288	571722215	/nfs/dbraw/zinc/72/22/15/571722215.db2.gz	PXPBPRNNNVMUEY-GTLDOENYSA-N	-2	0	246.262	2.493	1	0	endogenous,in-man	BEAFRL
Cc1c2cc(C)c(C(=O)[O-])cc2n(C)c1C(=O)[O-]	ZINC000071332693	178278138	/nfs/dbraw/zinc/27/81/38/178278138.db2.gz	GKDHRPPHUVQNSH-UHFFFAOYSA-N	-2	0	247.250	2.192	1	0		BEAFRL
COc1cc(O)cc([O-])c1C(=O)c1ccccc1	ZINC000003198924	175005539	/nfs/dbraw/zinc/00/55/39/175005539.db2.gz	CIKBLPYUSUJOHB-UHFFFAOYSA-N	-2	0	244.246	2.337	3	0	in-vitro	BEAFRL
C[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])[C@H](C)c1ccccc1	ZINC000004714441	177039924	/nfs/dbraw/zinc/03/99/24/177039924.db2.gz	AOOUEKJMMFRAPN-KKZNHRDASA-N	-2	0	236.267	2.212	2	0		BEAFRL
O=C([O-])CCCc1ccc2c(c1)[C@H](C(=O)[O-])CC2	ZINC000005955516	182442279	/nfs/dbraw/zinc/44/22/79/182442279.db2.gz	JFQDKTOYLXCYTR-LLVKDONJSA-N	-2	0	248.278	2.208	1	0		BEAFRL
C[C@@H](C(=O)[O-])[C@H](C(=O)[O-])[C@@H](C)c1ccccc1	ZINC000004714442	487951362	/nfs/dbraw/zinc/95/13/62/487951362.db2.gz	AOOUEKJMMFRAPN-IQJOONFLSA-N	-2	0	236.267	2.212	2	0		BEAFRL
C[C@@H](C(=O)[O-])[C@H](C(=O)[O-])[C@H](C)c1ccccc1	ZINC000004714443	177040088	/nfs/dbraw/zinc/04/00/88/177040088.db2.gz	AOOUEKJMMFRAPN-FXPVBKGRSA-N	-2	0	236.267	2.212	2	0		BEAFRL