smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](Oc1ccc2c(c1)occ(-c1ccc([O-])cc1)c2=O)C(=O)[O-]	ZINC000013864241	201366463	/nfs/dbraw/zinc/36/64/63/201366463.db2.gz	VVOLYJNOTQWXLG-SNVBAGLBSA-N	-2	3	326.304	3.018	1	0		EGAFHL
Cc1cc([O-])c(C)c2c1C(=O)Oc1c(C)c(O)c(C(=O)[O-])c(C)c1O2	ZINC000003197684	560188827	/nfs/dbraw/zinc/18/88/27/560188827.db2.gz	CFPLLTGKDKZLIH-UHFFFAOYSA-N	-2	3	344.319	3.355	1	0	in-vitro	EGAFHL
CC1(C)[C@H]2C[C@@H]1CC[C@@]21CCc2c([O-])c(C=O)c([O-])c(C=O)c2O1	ZINC000072109257	203162182	/nfs/dbraw/zinc/16/21/82/203162182.db2.gz	QCUQTKOOLWMDSS-PJZBOPKMSA-N	-2	3	330.380	3.243	1	0		EGAFHL
O=C([O-])COc1ccc2c(-c3ccc([O-])cc3F)noc2c1Cl	ZINC000027441991	202155120	/nfs/dbraw/zinc/15/51/20/202155120.db2.gz	UFDCBRJATYCFCE-UHFFFAOYSA-N	-2	3	337.690	3.456	1	0		EGAFHL
COc1c([O-])cc([O-])c2c(=O)c(OC)c(-c3ccc(C)cc3)oc12	ZINC000095099374	560062448	/nfs/dbraw/zinc/06/24/48/560062448.db2.gz	BRQLNEYSTDBILN-UHFFFAOYSA-N	-2	3	328.320	3.197	1	0	biogenic,in-vitro	EGAFHL
CC1(C)[C@H]2CC[C@H](C2)[C@]12CCc1c([O-])c(C=O)c([O-])c(C=O)c1O2	ZINC000072110314	216010461	/nfs/dbraw/zinc/01/04/61/216010461.db2.gz	JGVKRZSHJVFWEU-ZDCWMAILSA-N	-2	3	330.380	3.243	1	0		EGAFHL
COc1ccc(Oc2cc(=O)c3c([O-])c(OC)c([O-])cc3o2)cc1	ZINC000014811471	290993411	/nfs/dbraw/zinc/99/34/11/290993411.db2.gz	ZFSSSVBLDHAXFV-UHFFFAOYSA-N	-2	3	330.292	3.014	1	0	biogenic,in-vitro	EGAFHL
CC1(C)[C@H]2C[C@@H]1C[C@@H]1Cc3c([O-])c(C=O)c([O-])c(C=O)c3O[C@]21C	ZINC000072109069	216010301	/nfs/dbraw/zinc/01/03/01/216010301.db2.gz	KBBKKJGGHCMEAF-HXWVLOFQSA-N	-2	3	330.380	3.099	1	0		EGAFHL
CC1(C)[C@@H]2C[C@@]3(C)Oc4c(C=O)c([O-])c(C=O)c([O-])c4C[C@H]3C[C@@H]21	ZINC000072110228	216010496	/nfs/dbraw/zinc/01/04/96/216010496.db2.gz	FMLJQHAAKTUEQX-DPEIADNHSA-N	-2	3	330.380	3.099	1	0		EGAFHL
O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(=O)c2cccc([O-])c2[n-]1	ZINC000073198811	216361918	/nfs/dbraw/zinc/36/19/18/216361918.db2.gz	DMCCQLDCVFXMLL-UHFFFAOYSA-N	-2	3	338.407	3.345	1	0		EGAFHL
CC(C)Oc1cc([O-])cc2oc(-c3ccc([O-])cc3)c(O)c(=O)c12	ZINC000085569515	560069882	/nfs/dbraw/zinc/06/98/82/560069882.db2.gz	MLLVHYVXGMDIRP-UHFFFAOYSA-N	-2	3	328.320	3.364	1	0	biogenic,in-vitro	EGAFHL
CSCc1oc2cc([O-])cc([O-])c2c(=O)c1-c1ccc(O)cc1	ZINC000034601856	202273707	/nfs/dbraw/zinc/27/37/07/202273707.db2.gz	WZQHIBULESSBTK-UHFFFAOYSA-N	-2	3	330.361	3.440	1	0		EGAFHL
O=c1c2ccc([O-])cc2nc(-c2ccc([O-])cc2)n1-c1ccc(O)cc1	ZINC000012353825	211354172	/nfs/dbraw/zinc/35/41/72/211354172.db2.gz	AKLLWOBSHZXVLR-UHFFFAOYSA-N	-2	3	346.342	3.170	1	0		EGAFHL
Cc1ccc(-c2cc3c(ncnc3NCP(=O)([O-])[O-])s2)cc1	ZINC000098209645	219087448	/nfs/dbraw/zinc/08/74/48/219087448.db2.gz	XFTKJMGEXNVSAO-UHFFFAOYSA-N	-2	3	335.325	3.214	1	0	in-vitro	EGAFHL
CC(C)Cc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O)ccc1O	ZINC000085569512	560069917	/nfs/dbraw/zinc/06/99/17/560069917.db2.gz	UTRZVUKPAZFYKN-UHFFFAOYSA-N	-2	3	342.347	3.481	1	0	biogenic,in-vitro	EGAFHL