smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccccc3)s2)SC1=S	ZINC000013678226	204544525	/nfs/dbraw/zinc/54/45/25/204544525.db2.gz	JECOJOAJWLQFMW-JYRVWZFOSA-N	-1	0	361.469	3.701	1	10		FHCFRM
O=[N+]([O-])c1cc(-c2cc(-c3cnccc3C(F)(F)F)no2)cc(O)c1[O-]	ZINC000049112876	205170909	/nfs/dbraw/zinc/17/09/09/205170909.db2.gz	SZPVLNYAGHPLLT-UHFFFAOYSA-N	-1	0	367.239	3.742	1	10		FHCFRM
Cc1c(Cl)c2c(cc1OCC(=O)[O-])C(=O)[C@](C)(C1CCCC1)C2=O	ZINC000027902944	204871081	/nfs/dbraw/zinc/87/10/81/204871081.db2.gz	MLMSBCVRDXACQF-SFHVURJKSA-N	-1	0	350.798	3.687	1	10		FHCFRM
CC(C)=CCc1c(O)c(O)ccc1-c1coc2cc([O-])cc(O)c2c1=O	ZINC000014762991	560225758	/nfs/dbraw/zinc/22/57/58/560225758.db2.gz	XIUMMQJDWWYGHD-UHFFFAOYSA-N	-1	0	354.358	3.791	1	10	in-vitro	FHCFRM
Nc1ccc(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1	ZINC000101079061	205953714	/nfs/dbraw/zinc/95/37/14/205953714.db2.gz	RNCMOIGQCBSLTJ-UHFFFAOYSA-N	-1	0	371.396	3.531	1	10		FHCFRM
O=C(c1ccccc1)c1cc(O)c([O-])c(Br)c1Br	ZINC000053294760	205191963	/nfs/dbraw/zinc/19/19/63/205191963.db2.gz	XVDJQTFJBGDHEK-UHFFFAOYSA-N	-1	0	372.012	3.854	1	10		FHCFRM
O=C([O-])c1cc2cc(O)c(O)cc2c(C(=O)c2ccc3ccccc3c2)n1	ZINC000013470147	204531346	/nfs/dbraw/zinc/53/13/46/204531346.db2.gz	XIFAVPVMZDXWME-UHFFFAOYSA-N	-1	0	359.337	3.728	1	10		FHCFRM
O=C([O-])[C@H]1C/C(=C2/CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1	ZINC000003982522	204116865	/nfs/dbraw/zinc/11/68/65/204116865.db2.gz	XDKRVNKVAKCFGW-WXWBBQJKSA-N	-1	0	368.820	3.799	1	10	investigational	FHCFRM
COC(=O)c1ccc([C@H]2Nc3ccc(CC(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004623489	204150453	/nfs/dbraw/zinc/15/04/53/204150453.db2.gz	BMYSBHIBTWFUFS-CSODHUTKSA-N	-1	0	363.413	3.927	2	10		FHCFRM
CC(=O)Nc1sc(C)c(C)c1/N=N\c1ccc(S(=O)(=O)[O-])cc1	ZINC000036060784	204360539	/nfs/dbraw/zinc/36/05/39/204360539.db2.gz	UWOGLBOIVXEWRS-MSUUIHNZSA-N	-1	0	353.425	3.985	1	10		FHCFRM
CCCCC(=O)Oc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000064447341	205298447	/nfs/dbraw/zinc/29/84/47/205298447.db2.gz	HQRKKPXEQUFHKU-UHFFFAOYSA-N	-1	0	370.357	3.672	1	10		FHCFRM
CNC(=O)c1ccc(-c2ccc(OCc3cc(C(=O)[O-])oc3C)cc2)cc1	ZINC000169343485	206254147	/nfs/dbraw/zinc/25/41/47/206254147.db2.gz	VEYADCRAHZTDAX-UHFFFAOYSA-N	-1	0	365.385	3.892	1	10		FHCFRM
COC(=O)c1ccc([C@H]2Nc3ccc(CC(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004623493	204150771	/nfs/dbraw/zinc/15/07/71/204150771.db2.gz	BMYSBHIBTWFUFS-XGHQBKJUSA-N	-1	0	363.413	3.927	2	10		FHCFRM
O=C([O-])Cc1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1	ZINC000028363750	204880980	/nfs/dbraw/zinc/88/09/80/204880980.db2.gz	YNOIKPKDAHSZJK-GDNBJRDFSA-N	-1	0	355.440	3.720	1	10		FHCFRM
Cc1cccc(-n2[n-]c3c(ccc4c3C(=O)c3ccccc3C4=O)c2=O)c1	ZINC000008686789	207241125	/nfs/dbraw/zinc/24/11/25/207241125.db2.gz	WPZXWOYUXOWULI-UHFFFAOYSA-N	-1	0	354.365	3.815	1	10	aggregator	FHCFRM
CC(C)CCc1c(=O)c2c(O)cc([O-])cc2oc1-c1cc(O)c(O)c(O)c1	ZINC000013373822	291075601	/nfs/dbraw/zinc/07/56/01/291075601.db2.gz	SHVBBRIPECWRKL-UHFFFAOYSA-N	-1	0	372.373	3.577	1	10	biogenic	FHCFRM
CC(C)=CCc1c([O-])cc2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O	ZINC000014763007	220132091	/nfs/dbraw/zinc/13/20/91/220132091.db2.gz	URGGLJWRKAXLOT-UHFFFAOYSA-N	-1	0	354.358	3.791	1	10		FHCFRM
O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3cccs3)s2)SC1=S	ZINC000013678251	220084155	/nfs/dbraw/zinc/08/41/55/220084155.db2.gz	PZQSQUMQKAMMNA-WDZFZDKYSA-N	-1	0	367.498	3.762	1	10		FHCFRM
CN(C)c1ccc(/C=C/Cn2cc(C(=O)[O-])c(=O)c3cccc(F)c32)cc1	ZINC000071341953	208762716	/nfs/dbraw/zinc/76/27/16/208762716.db2.gz	FOMRVDIOVVYYAS-SNAWJCMRSA-N	-1	0	366.392	3.618	1	10		FHCFRM
CC(C)=CCc1c([O-])cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12	ZINC000014762763	220132235	/nfs/dbraw/zinc/13/22/35/220132235.db2.gz	WLZYCSNLBZYEHT-UHFFFAOYSA-N	-1	0	354.358	3.791	1	10		FHCFRM
Cc1cc(C)c(C(=O)c2nc(C(=O)[O-])cc3cc(O)c(O)cc32)c(C)c1	ZINC000013490145	211036328	/nfs/dbraw/zinc/03/63/28/211036328.db2.gz	HIXQCROOMFKCLD-UHFFFAOYSA-N	-1	0	351.358	3.500	1	10		FHCFRM
CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)/C=C/c1cc(O)c([O-])c([N+](=O)[O-])c1)C2	ZINC000058566859	212012676	/nfs/dbraw/zinc/01/26/76/212012676.db2.gz	AAMHKUSHZPJSMY-FEAYWXOISA-N	-1	0	361.394	3.777	1	10		FHCFRM
O=C([O-])[C@H](Cc1ccc(O)cc1)Nc1ccccc1C(=O)c1ccccc1	ZINC000013782273	211059896	/nfs/dbraw/zinc/05/98/96/211059896.db2.gz	BLWKWOVOFWHFLD-FQEVSTJZSA-N	-1	0	361.397	3.731	1	10		FHCFRM
O=C([O-])c1cc2cc(O)c(O)cc2c(C(=O)c2cccc3ccccc32)n1	ZINC000013470146	211033729	/nfs/dbraw/zinc/03/37/29/211033729.db2.gz	PJXFJCFLPQNCFQ-UHFFFAOYSA-N	-1	0	359.337	3.728	1	10		FHCFRM
Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1	ZINC000073291768	221563533	/nfs/dbraw/zinc/56/35/33/221563533.db2.gz	OWOWJUCEEAKXDZ-UHFFFAOYSA-N	-1	0	366.392	3.708	1	10		FHCFRM
COc1cc(OC)c(C(=O)c2ccccc2F)c([O-])c1C[NH+]1CCCCC1	ZINC000049055480	221018351	/nfs/dbraw/zinc/01/83/51/221018351.db2.gz	AOGSOEWUNWJFLJ-UHFFFAOYSA-N	-1	0	373.424	3.765	1	10		FHCFRM
O=C([O-])[C@@H]1C/C(=C2/CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1	ZINC000013914951	220098971	/nfs/dbraw/zinc/09/89/71/220098971.db2.gz	XDKRVNKVAKCFGW-ZPICJPFVSA-N	-1	0	368.820	3.799	1	10	investigational	FHCFRM
Nc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1N=Nc1ccc2c(c1)OCO2	ZINC000102402996	222295568	/nfs/dbraw/zinc/29/55/68/222295568.db2.gz	BFAICKCFCBOWKB-FCQUAONHSA-N	-1	0	374.360	3.828	1	10		FHCFRM