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-])C(Cc1ccc(O)cc1)=C(C(=O)[O-])C(=O)c1ccc(O)cc1	ZINC000013385275	201056472	/nfs/dbraw/zinc/05/64/72/201056472.db2.gz	TUOXWFIJOOGTSU-AAWPKVBNSA-N	-3	0	342.303	2.150	1	0		EEAFRL
O=C([O-])[C@H](Cc1cccc(-c2ccccc2)c1)NC[P@](=O)([O-])O	ZINC000029307612	202184197	/nfs/dbraw/zinc/18/41/97/202184197.db2.gz	PNYOBMQZMAVTGO-HNNXBMFYSA-N	-2	0	335.296	2.074	1	0		EEAFRL
C[C@H]1CCC(=Nc2ccccc2C(=O)[O-])c2ncc(C(=O)[O-])c(=O)n21	ZINC000101195357	204002375	/nfs/dbraw/zinc/00/23/75/204002375.db2.gz	GBBDGJWBUUZRLU-VIFPVBQESA-N	-2	0	341.323	2.057	1	0		EEAFRL
COc1ccc(P(=O)([O-])[O-])cc1-c1nc(N)sc1C(C)C	ZINC000066102623	215011125	/nfs/dbraw/zinc/01/11/25/215011125.db2.gz	AFDPQACGMIKGBT-UHFFFAOYSA-N	-2	0	328.330	2.327	1	0		EEAFRL
CC(=O)Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(CC(C)C)s1	ZINC000066112017	215014103	/nfs/dbraw/zinc/01/41/03/215014103.db2.gz	VCHJDMLZLXDYLB-UHFFFAOYSA-N	-2	0	344.329	2.363	1	0		EEAFRL
C[C@@H]1CCC(=Nc2ccc(C(=O)[O-])cc2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000101195913	219118683	/nfs/dbraw/zinc/11/86/83/219118683.db2.gz	TYTAEFKUZYEUAI-SECBINFHSA-N	-2	0	341.323	2.057	1	0		EEAFRL
O=C([O-])c1cc(C(=O)[O-])c2cc(I)ccc2n1	ZINC000026379007	202142362	/nfs/dbraw/zinc/14/23/62/202142362.db2.gz	YUIXTMDZGFKCOM-UHFFFAOYSA-N	-2	0	343.076	2.236	1	0		EEAFRL
COc1cc(Cc2cc(OC)c(O)c(C(=O)[O-])c2)cc(C(=O)[O-])c1O	ZINC000028818341	202177526	/nfs/dbraw/zinc/17/75/26/202177526.db2.gz	GLGQYPMWGOCLAB-UHFFFAOYSA-N	-2	0	348.307	2.102	1	0		EEAFRL
O=[P@@]([O-])(O)C[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000026002131	202138219	/nfs/dbraw/zinc/13/82/19/202138219.db2.gz	ZMEJOIYGSSKOQA-HNNXBMFYSA-N	-2	0	344.311	2.371	1	0		EEAFRL
O=C([O-])c1ccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000027179955	202152821	/nfs/dbraw/zinc/15/28/21/202152821.db2.gz	MCHYLNBWZNKPOW-UHFFFAOYSA-N	-3	0	329.264	2.034	1	0		EEAFRL
COc1c(=O)cc2oc3c(c(O)c-2c1[O-])OCc1cccc([O-])c1-3	ZINC000014725554	290970294	/nfs/dbraw/zinc/97/02/94/290970294.db2.gz	BJGPJGLFIWNAAZ-UHFFFAOYSA-N	-2	0	328.276	2.478	1	0	biogenic,in-vitro	EEAFRL
O=C([O-])[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)[O-])[C@H]1c1ccc(O)cc1	ZINC000103127427	219258755	/nfs/dbraw/zinc/25/87/55/219258755.db2.gz	LKRJTULSSBSRAS-SYMSYNOKSA-N	-2	0	328.320	2.380	1	0		EEAFRL
Cc1oc(-c2nc(N)sc2-c2ccccc2)nc1P(=O)([O-])[O-]	ZINC000066103946	215011104	/nfs/dbraw/zinc/01/11/04/215011104.db2.gz	ZQHXELVSAIOSNM-UHFFFAOYSA-N	-2	0	337.297	2.159	1	0		EEAFRL
COc1cccc(CCc2nc(C)c(O)c(C(=O)[O-])c2C(=O)[O-])c1	ZINC000103241296	219274494	/nfs/dbraw/zinc/27/44/94/219274494.db2.gz	DXKKUHZOAHBVQF-UHFFFAOYSA-N	-2	0	331.324	2.286	1	0		EEAFRL
C[C@@H]1CCC(=Nc2cccc(C(=O)[O-])c2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000102190614	219190709	/nfs/dbraw/zinc/19/07/09/219190709.db2.gz	QACYXFPYIFQHHS-SECBINFHSA-N	-2	0	341.323	2.057	1	0		EEAFRL
Cc1cccc2c1C(=O)N(c1cc(C(=O)[O-])cc(C(=O)[O-])c1)C2=O	ZINC000072110416	216010846	/nfs/dbraw/zinc/01/08/46/216010846.db2.gz	WBSFXCAZEARAAR-UHFFFAOYSA-N	-2	0	325.276	2.192	1	0		EEAFRL
CC1(C)C[C@H]1C(=O)N/C(=C\CCCCSCC(=O)[O-])C(=O)[O-]	ZINC000026024906	202137641	/nfs/dbraw/zinc/13/76/41/202137641.db2.gz	CYPICWFWZCXOLE-OYUORYAFSA-N	-2	0	329.418	2.105	1	0		EEAFRL
O=[P@@]([O-])(O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000026002124	202137714	/nfs/dbraw/zinc/13/77/14/202137714.db2.gz	ZMEJOIYGSSKOQA-OAHLLOKOSA-N	-2	0	344.311	2.371	1	0		EEAFRL
C[C@H](C[C@@H](C)C(=O)N1c2ccc(Cl)cc2C[C@@H]1C(=O)[O-])C(=O)[O-]	ZINC000028263071	202168503	/nfs/dbraw/zinc/16/85/03/202168503.db2.gz	SXMFIYZCFSMHDJ-JRKPZEMJSA-N	-2	0	339.775	2.429	1	0		EEAFRL
O=C([O-])CNC(=O)c1ncc(-c2ccc3cc(O)ccc3c2)cc1[O-]	ZINC000095588319	218441458	/nfs/dbraw/zinc/44/14/58/218441458.db2.gz	ITDVLBGAPZAPRP-UHFFFAOYSA-N	-2	0	338.319	2.127	1	0		EEAFRL
O=c1c2c(cc3oc4c(c([O-])c1-3)OCc1cccc([O-])c1-4)OCO2	ZINC000014725559	290973589	/nfs/dbraw/zinc/97/35/89/290973589.db2.gz	VURYVFAWIIKQEI-UHFFFAOYSA-N	-2	0	326.260	2.492	1	0	biogenic,in-vitro	EEAFRL
O=C([O-])C(Oc1nn(Cc2cccc(F)c2)c2ccccc12)C(=O)[O-]	ZINC000049066840	213982760	/nfs/dbraw/zinc/98/27/60/213982760.db2.gz	QLOXPCQDXQEXQW-UHFFFAOYSA-N	-2	0	344.298	2.140	1	0		EEAFRL
COc1ccc(CCc2nc(C)c(O)c(C(=O)[O-])c2C(=O)[O-])cc1	ZINC000103241293	219274528	/nfs/dbraw/zinc/27/45/28/219274528.db2.gz	CWFOFIFVKUHVGE-UHFFFAOYSA-N	-2	0	331.324	2.286	1	0		EEAFRL
Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(Cc2ccccc2)s1	ZINC000066104653	215013053	/nfs/dbraw/zinc/01/30/53/215013053.db2.gz	FLULGQBVCYKMNP-UHFFFAOYSA-N	-2	0	336.309	2.379	1	0		EEAFRL
O=c1oc2ccccc2c([O-])c1Cc1c([O-])c2ccccc2oc1=O	ZINC000006535856	560206165	/nfs/dbraw/zinc/20/61/65/560206165.db2.gz	HIZKPJUTKKJDGA-STQMWFEESA-N	-2	0	336.299	2.213	1	0	in-vitro	EEAFRL
O=P([O-])([O-])C(F)(F)c1ccc(C(F)(F)P(=O)([O-])[O-])cc1	ZINC000027561152	202158175	/nfs/dbraw/zinc/15/81/75/202158175.db2.gz	FUSBQJCTZXQSQC-UHFFFAOYSA-N	-4	0	338.086	2.141	1	0		EEAFRL
COC(=O)c1cc(O)cc([O-])c1C(=O)c1c([O-])cc(C)cc1OC	ZINC000029567858	202189865	/nfs/dbraw/zinc/18/98/65/202189865.db2.gz	HFBUAGQLOXYKLO-UHFFFAOYSA-N	-2	0	332.308	2.138	1	0		EEAFRL
O=C([O-])c1cc(C(=O)[O-])c2c(I)cccc2n1	ZINC000026390322	202143253	/nfs/dbraw/zinc/14/32/53/202143253.db2.gz	NSZSQSBIQBZXRE-UHFFFAOYSA-N	-2	0	343.076	2.236	1	0		EEAFRL
CC(=O)N1C[C@@H]2CC[C@](C)(C1)c1ccc(OP(=O)([O-])[O-])cc12	ZINC000029204920	202182967	/nfs/dbraw/zinc/18/29/67/202182967.db2.gz	CIPTXXZNGNDHLX-XHDPSFHLSA-N	-2	0	325.301	2.155	1	0		EEAFRL
O=C(C=C([O-])c1ccc(OCc2ccc(F)cc2)cc1)c1nnn[n-]1	ZINC000103139692	204063294	/nfs/dbraw/zinc/06/32/94/204063294.db2.gz	SXOBGHVVAIWRMH-UHFFFAOYSA-N	-2	0	340.314	2.374	1	0		EEAFRL
C[C@H]1CCC(=Nc2cccc(C(=O)[O-])c2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000102190616	204034401	/nfs/dbraw/zinc/03/44/01/204034401.db2.gz	QACYXFPYIFQHHS-VIFPVBQESA-N	-2	0	341.323	2.057	1	0		EEAFRL
C[C@@H]1CCC(=Nc2ccccc2C(=O)[O-])c2ncc(C(=O)[O-])c(=O)n21	ZINC000101195354	219118515	/nfs/dbraw/zinc/11/85/15/219118515.db2.gz	GBBDGJWBUUZRLU-SECBINFHSA-N	-2	0	341.323	2.057	1	0		EEAFRL
CC(=O)[N-]S(=O)(=O)c1ccc(/C=C(/C(=O)[O-])c2ccccc2)cc1	ZINC000095591648	218442835	/nfs/dbraw/zinc/44/28/35/218442835.db2.gz	PBRGWBSOMPRTNP-LFIBNONCSA-N	-2	0	345.376	2.137	1	0		EEAFRL
C[C@H]1CCC(=Nc2ccc(C(=O)[O-])cc2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000101195916	219118603	/nfs/dbraw/zinc/11/86/03/219118603.db2.gz	TYTAEFKUZYEUAI-VIFPVBQESA-N	-2	0	341.323	2.057	1	0		EEAFRL
COc1ccccc1CCc1nc(C)c(O)c(C(=O)[O-])c1C(=O)[O-]	ZINC000103241298	219274296	/nfs/dbraw/zinc/27/42/96/219274296.db2.gz	RONXHOZQKXTIQZ-UHFFFAOYSA-N	-2	0	331.324	2.286	1	0		EEAFRL
O=C([O-])CS[C@H](CC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000028473522	212620406	/nfs/dbraw/zinc/62/04/06/212620406.db2.gz	ABTRMPBSZSUHEL-SNVBAGLBSA-N	-2	0	347.186	2.293	1	0		EEAFRL
Cc1ccc(Cn2nc(OC(C(=O)[O-])C(=O)[O-])c3ccccc32)cc1	ZINC000049066667	213982763	/nfs/dbraw/zinc/98/27/63/213982763.db2.gz	YXVMMSDDHDNKBM-UHFFFAOYSA-N	-2	0	340.335	2.310	1	0		EEAFRL
O=c1oc2ccccc2c([O-])c1Cc1c([O-])c2ccccc2oc1=O	ZINC000012504328	211395062	/nfs/dbraw/zinc/39/50/62/211395062.db2.gz	HIZKPJUTKKJDGA-BETUJISGSA-N	-2	0	336.299	2.213	1	0	in-vivo	EEAFRL
O=c1oc2ccccc2c([O-])c1Cc1c([O-])c2ccccc2oc1=O	ZINC000006535860	560206168	/nfs/dbraw/zinc/20/61/68/560206168.db2.gz	HIZKPJUTKKJDGA-CHWSQXEVSA-N	-2	0	336.299	2.213	1	0	in-vitro	EEAFRL