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-])cc2oc(-c2ccc(O)c(O)c2)c1OCCO	ZINC000027211548	202153151	/nfs/dbraw/zinc/15/31/51/202153151.db2.gz	LQTDROCMLDYTSO-UHFFFAOYSA-N	-1	0	330.292	1.948	1	10		EDCFRM
O=C([O-])[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(O)cc1	ZINC000013351440	571697788	/nfs/dbraw/zinc/69/77/88/571697788.db2.gz	UUXSHXGLOWJTDV-PXYYCUNGSA-N	-1	0	343.335	1.629	1	10	endogenous,in-man	EDCFRM
COc1cc2c(c(C)c1C(=O)[O-])C(=O)c1c(O)cc(O)cc1C2=O	ZINC000014814445	571724404	/nfs/dbraw/zinc/72/44/04/571724404.db2.gz	QEHCRDXGPIFLOF-UHFFFAOYSA-N	-1	0	328.276	1.888	1	10	endogenous,in-man	EDCFRM
CCO[C@@H]1C(=O)C(O)=C1Nc1ccc(NC(=O)CCCC(=O)[O-])cc1	ZINC000028523355	202171250	/nfs/dbraw/zinc/17/12/50/202171250.db2.gz	CROPCINPLOBEJH-PBHICJAKSA-N	-1	0	348.355	1.217	1	10		EDCFRM
CCCCOC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21	ZINC000101634528	204016562	/nfs/dbraw/zinc/01/65/62/204016562.db2.gz	VXJWXXXNAGXANY-QMMMGPOBSA-N	-1	0	348.307	1.923	1	10		EDCFRM
CC(=O)N(C)c1ccc(/N=N/c2c(C)[n-]n(C(N)=S)c2=O)cc1	ZINC000169325955	206551494	/nfs/dbraw/zinc/55/14/94/206551494.db2.gz	DQHIXMIUPXATSX-WUKNDPDISA-N	-1	0	332.389	1.975	1	10		EDCFRM
CCN1C(=O)/C(=C/c2ccc(O)c(S(=O)(=O)[O-])c2)SC1=S	ZINC000001601102	209764903	/nfs/dbraw/zinc/76/49/03/209764903.db2.gz	JPGNCOOUZPNCSP-UITAMQMPSA-N	-1	0	345.423	1.860	1	10		EDCFRM
CCO[C@H]1C(=O)C(O)=C1Nc1ccc(NC(=O)CCCC(=O)[O-])cc1	ZINC000028523354	212622986	/nfs/dbraw/zinc/62/29/86/212622986.db2.gz	CROPCINPLOBEJH-RHSMWYFYSA-N	-1	0	348.355	1.217	1	10		EDCFRM
O=C([O-])[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(O)cc1	ZINC000013351449	571697802	/nfs/dbraw/zinc/69/78/02/571697802.db2.gz	UUXSHXGLOWJTDV-YOIVXCQUSA-N	-1	0	343.335	1.629	1	10	endogenous,in-man	EDCFRM
Cc1nc[nH]c1CSCCNc1ncccc1S(=O)(=O)[O-]	ZINC000040466834	213310618	/nfs/dbraw/zinc/31/06/18/213310618.db2.gz	XWFWONGVOOFGHH-UHFFFAOYSA-N	-1	0	328.419	1.705	1	10		EDCFRM
Cn1c2c(c3ccc(NC(=O)C(=O)[O-])cc3c1=O)C(=O)c1ccccc1-2	ZINC000095593918	218443534	/nfs/dbraw/zinc/44/35/34/218443534.db2.gz	SGJPENVWCVSRKV-UHFFFAOYSA-N	-1	0	348.314	1.773	1	10		EDCFRM
CC(=O)N(C)c1ccc(N=Nc2c(C)[n-]n(C(N)=S)c2=O)cc1	ZINC000102432818	219202488	/nfs/dbraw/zinc/20/24/88/219202488.db2.gz	QZKUTISYFKZPGN-WGKGOADCSA-N	-1	0	332.389	1.583	1	10		EDCFRM
O=C([O-])[C@H](Cc1ccccc1)NC=C1C(=O)NN=C1c1ccccc1	ZINC000072179099	203182120	/nfs/dbraw/zinc/18/21/20/203182120.db2.gz	NMGJFWJKPQSNRB-IRVMHKCDSA-N	-1	0	335.363	1.690	1	10		EDCFRM
CCCCn1c2nc(=O)[n-]c(=O)c-2cc2c1C(=O)C(=O)c1ccccc1-2	ZINC000027866846	202161934	/nfs/dbraw/zinc/16/19/34/202161934.db2.gz	BXXYEYFJKBUZMA-UHFFFAOYSA-N	-1	0	349.346	1.883	1	10		EDCFRM
O=C([O-])CCNC(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O	ZINC000103243249	219274466	/nfs/dbraw/zinc/27/44/66/219274466.db2.gz	FWBAVMSQDGSLSJ-UHFFFAOYSA-N	-1	0	339.303	1.372	1	10		EDCFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nccs3)[C@H](C)[C@H]12	ZINC000003825023	210076586	/nfs/dbraw/zinc/07/65/86/210076586.db2.gz	ICYYFEDXLOJVIO-WCTZXXKLSA-N	-1	0	326.399	1.389	1	10		EDCFRM
CCC[C@H]1O[C@H](CC(=O)[O-])C[C@@H]2C(=O)c3cccc(O)c3C(=O)[C@@]12O	ZINC000003782424	210075295	/nfs/dbraw/zinc/07/52/95/210075295.db2.gz	LYPPSIGDDZKHMA-ZLXWJRTRSA-N	-1	0	348.351	1.551	1	10		EDCFRM
CCCOc1ccc(N(C)C)cc1-c1ncc(-c2nnn[n-]2)c(=O)[nH]1	ZINC000039291405	213232296	/nfs/dbraw/zinc/23/22/96/213232296.db2.gz	KSTNTJJWMVBVBR-UHFFFAOYSA-N	-1	0	341.375	1.472	1	10		EDCFRM
COc1cc2c(c(OC)c1[O-])C(=O)c1c(O)c(C)cc(O)c1C2=O	ZINC000014647399	560223741	/nfs/dbraw/zinc/22/37/41/560223741.db2.gz	BHXGNEJDWATDFR-UHFFFAOYSA-N	-1	0	330.292	1.904	1	10	biogenic,in-vitro	EDCFRM
O=C([O-])[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccc(O)cc1	ZINC000013351436	571698051	/nfs/dbraw/zinc/69/80/51/571698051.db2.gz	UUXSHXGLOWJTDV-VCDPDADVSA-N	-1	0	343.335	1.629	1	10	endogenous,in-man	EDCFRM
COc1cc2c(=O)oc3c(O)c([O-])cc4c(=O)oc(c1OC)c2c43	ZINC000015150613	560097733	/nfs/dbraw/zinc/09/77/33/560097733.db2.gz	DMPZOHHHRRENRS-UHFFFAOYSA-N	-1	0	330.248	1.919	1	10	endogenous,in-man	EDCFRM
O=C([O-])c1cc(O)c(O)cc1-c1cc2ccc(O)c(O)c2oc1=O	ZINC000169309748	226240594	/nfs/dbraw/zinc/24/05/94/226240594.db2.gz	YBXYOZNWSFRCDQ-UHFFFAOYSA-N	-1	0	330.248	1.981	1	10		EDCFRM