smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccc([O-])cc2O[C@H]2c3ccc(O)c(O)c3CO[C@@H]12	ZINC000014610041	560222970	/nfs/dbraw/zinc/22/29/70/560222970.db2.gz	JZKMGBIDNPULDV-HOTGVXAUSA-N	-1	1	300.266	2.019	1	10	biogenic,in-vitro	DECFMM
Cc1nc2c(c3c1C(=O)c1c([O-])cccc1C3=O)C(=O)CCC2	ZINC000040379071	183057792	/nfs/dbraw/zinc/05/77/92/183057792.db2.gz	FIZONXIEVPEKNX-UHFFFAOYSA-N	-1	1	307.305	2.390	1	10		DECFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1Cc1cc(F)c(F)c(F)c1	ZINC000043066170	183333924	/nfs/dbraw/zinc/33/39/24/183333924.db2.gz	MJAOWQUYFUDQEB-UHFFFAOYSA-N	-1	1	323.226	2.311	1	10		DECFMM
Cc1ccc(-c2csc3nc(-n4[n-]c(=O)cc4O)cn23)cc1	ZINC000103259611	185442190	/nfs/dbraw/zinc/44/21/90/185442190.db2.gz	CUBPRUYTGIEQFN-UHFFFAOYSA-N	-1	1	312.354	2.139	1	10		DECFMM
CCOC(=O)c1c[n-]nc1N[N+](=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000040420903	183064762	/nfs/dbraw/zinc/06/47/62/183064762.db2.gz	KFEPCBZNOFGPMT-FOCLMDBBSA-N	-1	1	321.249	2.126	1	10		DECFMM
Cc1cc(CN2C(=O)c3ccc(O)c([O-])c3C2=O)ccc1F	ZINC000043019729	183328998	/nfs/dbraw/zinc/32/89/98/183328998.db2.gz	SNZJPXSPXXYSJH-UHFFFAOYSA-N	-1	1	301.273	2.342	1	10		DECFMM
Cc1sc2[nH]c(-c3cc(O)c([O-])c(O)c3)nc(=O)c2c1C	ZINC000096907916	185390811	/nfs/dbraw/zinc/39/08/11/185390811.db2.gz	QETDBFVUNCZZSX-UHFFFAOYSA-N	-1	1	304.327	2.385	1	10		DECFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1Cc1cccc(F)c1F	ZINC000043068570	183333410	/nfs/dbraw/zinc/33/34/10/183333410.db2.gz	XONHUDSWPIVNPO-UHFFFAOYSA-N	-1	1	305.236	2.172	1	10		DECFMM
C[C@@H]1C(=O)c2c(O)cc([O-])cc2O[C@@H]1c1ccc(O)c(O)c1	ZINC000033833930	290904482	/nfs/dbraw/zinc/90/44/82/290904482.db2.gz	NDKNYUFZUFHDFQ-QZTNRIJFSA-N	-1	1	302.282	2.462	1	10	biogenic,in-vitro	DECFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1Cc1ccc(F)cc1F	ZINC000042920070	183318353	/nfs/dbraw/zinc/31/83/53/183318353.db2.gz	VTZMBPXNIGEOGE-UHFFFAOYSA-N	-1	1	305.236	2.172	1	10		DECFMM
COc1cc([O-])c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1O	ZINC000040835931	183139928	/nfs/dbraw/zinc/13/99/28/183139928.db2.gz	SQYJGJIGIBPVLM-UHFFFAOYSA-N	-1	1	316.265	2.291	1	10		DECFMM
CC(=O)c1c2c(n3cccc([O-])c13)C(=O)c1cccnc1C2=O	ZINC000040974257	183153230	/nfs/dbraw/zinc/15/32/30/183153230.db2.gz	CKBGCRFMEFCSRT-UHFFFAOYSA-N	-1	1	306.277	2.018	1	10		DECFMM
CC(=O)c1c2c(n3cccc([O-])c13)C(=O)c1ncccc1C2=O	ZINC000040874584	183145315	/nfs/dbraw/zinc/14/53/15/183145315.db2.gz	VVNJCDJSPZEYCY-UHFFFAOYSA-N	-1	1	306.277	2.018	1	10		DECFMM
O=C([O-])[C@H]1Nc2c(O)cc(Cl)c([N+](=O)[O-])c2[C@@H]2C=CC[C@@H]21	ZINC000001065922	257211591	/nfs/dbraw/zinc/21/15/91/257211591.db2.gz	WGUAPOVFDKLQGB-KORWRZNCSA-N	-1	1	310.693	2.492	1	10		DECFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1Cc1c(F)ccc(F)c1F	ZINC000043009606	183326771	/nfs/dbraw/zinc/32/67/71/183326771.db2.gz	GIWRCSLENCJWTI-UHFFFAOYSA-N	-1	1	323.226	2.311	1	10		DECFMM
C[C@H]1CC(=O)c2c(ccc3c2C(=O)c2cccc([O-])c2C3=O)[C@@H]1O	ZINC000006037371	181307460	/nfs/dbraw/zinc/30/74/60/181307460.db2.gz	WWVNIBVFNYKUQY-WNWIJWBNSA-N	-1	1	322.316	2.424	1	10	in-vitro	DECFMM
C[C@H]1C(=O)c2c(O)cc([O-])cc2O[C@@H]1c1ccc(O)c(O)c1	ZINC000033833929	290904484	/nfs/dbraw/zinc/90/44/84/290904484.db2.gz	NDKNYUFZUFHDFQ-GYKQLYQFSA-N	-1	1	302.282	2.462	1	10	biogenic,in-vitro	DECFMM
COC1=C([O-])C(=O)C2=C(O)C(=O)C(c3ccc(O)cc3)OC2=C1	ZINC000014644928	290903793	/nfs/dbraw/zinc/90/37/93/290903793.db2.gz	YLRSIAJFRWNBHO-UHFFFAOYSA-N	-1	1	316.265	2.291	1	10	biogenic,in-vitro	DECFMM
O=c1c2cc(O)c([O-])cc2nc2n1Cc1cc3ccccc3nc1-2	ZINC000028874403	182543542	/nfs/dbraw/zinc/54/35/42/182543542.db2.gz	RKNNJIBYRWYYOF-UHFFFAOYSA-N	-1	1	317.304	2.385	1	10		DECFMM
O=C1c2ccc([O-])cc2O[C@@H]2c3cc(O)c(O)cc3CO[C@H]12	ZINC000014638440	560223504	/nfs/dbraw/zinc/22/35/04/560223504.db2.gz	ZKTRTVSORJMRTK-HZPDHXFCSA-N	-1	1	300.266	2.019	1	10	biogenic,in-vitro	DECFMM
COc1c([O-])cc2c(c1OC)C(=O)c1c(O)c(C)ccc1C2=O	ZINC000006071441	290902745	/nfs/dbraw/zinc/90/27/45/290902745.db2.gz	ISZGKWAWCDXIJR-UHFFFAOYSA-N	-1	1	314.293	2.199	1	10	biogenic,in-vitro	DECFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1Cc1cc(F)cc(F)c1	ZINC000042919952	183318255	/nfs/dbraw/zinc/31/82/55/183318255.db2.gz	VPWNFWIHKHEIID-UHFFFAOYSA-N	-1	1	305.236	2.172	1	10		DECFMM
N=c1oc2c(ccc([O-])c2O)cc1C(=O)Nc1cccc(O)c1	ZINC000003834101	181048009	/nfs/dbraw/zinc/04/80/09/181048009.db2.gz	YYFYFDIKBMWNJK-UHFFFAOYSA-N	-1	1	312.281	2.281	1	10		DECFMM
O=C([O-])[C@H]1Nc2c(O)cc(Cl)c([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21	ZINC000102992498	304209068	/nfs/dbraw/zinc/20/90/68/304209068.db2.gz	WGUAPOVFDKLQGB-VGIXGZPDSA-N	-1	1	310.693	2.492	1	10		DECFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1Cc1ccc(F)c(F)c1F	ZINC000042924181	183319009	/nfs/dbraw/zinc/31/90/09/183319009.db2.gz	VPADTMDTBUKMSD-UHFFFAOYSA-N	-1	1	323.226	2.311	1	10		DECFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1Cc1c(F)cccc1F	ZINC000042919953	183318267	/nfs/dbraw/zinc/31/82/67/183318267.db2.gz	LIEQFRXBJLZAPA-UHFFFAOYSA-N	-1	1	305.236	2.172	1	10		DECFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1Cc1ccc(F)c(F)c1	ZINC000042923084	183319309	/nfs/dbraw/zinc/31/93/09/183319309.db2.gz	UGTRSOVFRMFZKM-UHFFFAOYSA-N	-1	1	305.236	2.172	1	10		DECFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1Cc1cc(F)c(F)cc1F	ZINC000043009070	183326968	/nfs/dbraw/zinc/32/69/68/183326968.db2.gz	KCGXGCQJUYUMSK-UHFFFAOYSA-N	-1	1	323.226	2.311	1	10		DECFMM
O=C1c2ccc(O)c([O-])c2C(=O)N1Cc1cc(F)ccc1F	ZINC000043075372	183334238	/nfs/dbraw/zinc/33/42/38/183334238.db2.gz	KUAURVQVGCLXAC-UHFFFAOYSA-N	-1	1	305.236	2.172	1	10		DECFMM