smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OP(=O)([O-])[O-])cc1	ZINC000013441019	187251133	/nfs/dbraw/zinc/25/11/33/187251133.db2.gz	BFTYVNASNGCVSQ-UHFFFAOYSA-N	-2	0	204.118	1.167	1	0		BDAFRL
CCOC(=O)c1c([O-])[n-]c2cccc(C)c2c1=O	ZINC000013833623	170289136	/nfs/dbraw/zinc/28/91/36/170289136.db2.gz	YORARJRBIVDJFQ-UHFFFAOYSA-N	-2	0	247.250	1.719	1	0		BDAFRL
Cc1cc(=O)c2c(cc([O-])cc2C(=O)[O-])o1	ZINC000014490879	560102390	/nfs/dbraw/zinc/10/23/90/560102390.db2.gz	ZCNVIPLKMDPDHM-UHFFFAOYSA-N	-2	0	220.180	1.505	1	0	endogenous,in-man	BDAFRL
COc1ccc2c(c1)nc(C(=O)[O-])cc2C(=O)[O-]	ZINC000026378146	175204061	/nfs/dbraw/zinc/20/40/61/175204061.db2.gz	JEAXHMVEJYFTBB-UHFFFAOYSA-N	-2	0	247.206	1.640	1	0		BDAFRL
C=C(C(=O)[O-])[C@H](CCCC(=O)OCC)C(=O)[O-]	ZINC000014438649	560221393	/nfs/dbraw/zinc/22/13/93/560221393.db2.gz	DFYGVGBRRIMUSH-QMMMGPOBSA-N	-2	0	244.243	1.061	1	0	in-vitro	BDAFRL
O=C([O-])[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H](C(=O)[O-])C[C@H]12	ZINC000169361612	182546167	/nfs/dbraw/zinc/54/61/67/182546167.db2.gz	RKLMSTQEVORNHJ-JFFSLAIJSA-N	-2	0	224.256	1.454	1	0		BDAFRL
C=Cc1ncc(COP(=O)([O-])[O-])c(C)c1O	ZINC000169324260	188161429	/nfs/dbraw/zinc/16/14/29/188161429.db2.gz	ORTIHDBFHWGSJA-UHFFFAOYSA-N	-2	0	245.171	1.348	1	0		BDAFRL
O=C([O-])CC/C=C/[C@H](CO)CCCCC(=O)[O-]	ZINC000026384900	182431338	/nfs/dbraw/zinc/43/13/38/182431338.db2.gz	DBOXBOQOCRHUKF-OKEWEERVSA-N	-2	0	244.287	1.661	1	0		BDAFRL
COc1ccc(OC(=O)P(=O)([O-])[O-])cc1	ZINC000006484394	175162454	/nfs/dbraw/zinc/16/24/54/175162454.db2.gz	YHZSRQZZRREBDQ-UHFFFAOYSA-N	-2	0	232.128	1.372	1	0		BDAFRL
CCC(=O)c1c([O-])oc(=O)c(C(=O)CC)c1[O-]	ZINC000169320201	168254524	/nfs/dbraw/zinc/25/45/24/168254524.db2.gz	YROCUOOAEFQNEZ-UHFFFAOYSA-N	-2	0	240.211	1.236	1	0		BDAFRL
C[C@H](CC(=O)[O-])Cc1ncccc1C(=O)[O-]	ZINC000033829863	560088979	/nfs/dbraw/zinc/08/89/79/560088979.db2.gz	XXBHNXCTBWSVCQ-ZETCQYMHSA-N	-2	0	223.228	1.433	1	0	biogenic,in-vitro	BDAFRL
Nc1ccc2c(c1)[nH]c(C(=O)[O-])c2CCC(=O)[O-]	ZINC000029476960	188109741	/nfs/dbraw/zinc/10/97/41/188109741.db2.gz	NNTHPARIDOLRKT-UHFFFAOYSA-N	-2	0	248.238	1.466	1	0		BDAFRL
O=C([O-])C(C(=O)[O-])[C@@H]1CC/C=C/CCC1	ZINC000169359186	188338615	/nfs/dbraw/zinc/33/86/15/188338615.db2.gz	YTNDGIXOZCDSOT-FHKCNRDCSA-N	-2	0	212.245	1.908	1	0		BDAFRL
O=C(NC1CCCCCC1)P(=O)([O-])[O-]	ZINC000013561092	182114217	/nfs/dbraw/zinc/11/42/17/182114217.db2.gz	PZCAQCXIXVTXSS-UHFFFAOYSA-N	-2	0	221.193	1.597	1	0		BDAFRL
O=C([O-])c1ccc2c(c1C(=O)[O-])C(=O)CCC2	ZINC000040977597	182573560	/nfs/dbraw/zinc/57/35/60/182573560.db2.gz	BFCFDVKUMYEPQU-UHFFFAOYSA-N	-2	0	234.207	1.602	1	0		BDAFRL
C[C@@H](CCOc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000006487154	175683607	/nfs/dbraw/zinc/68/36/07/175683607.db2.gz	NXKQNSVRERFPAM-QMMMGPOBSA-N	-2	0	238.239	1.874	1	0		BDAFRL
CSCCC(NC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000069488816	574416536	/nfs/dbraw/zinc/41/65/36/574416536.db2.gz	UIVRWJNVRDRTHL-UHFFFAOYSA-N	-2	0	249.288	1.006	1	0	endogenous,in-vitro	BDAFRL
O=C([O-])[C@H]1[C@H]2C=C[C@H](CCC2)[C@@H]1C(=O)[O-]	ZINC000026673176	188283254	/nfs/dbraw/zinc/28/32/54/188283254.db2.gz	QBJJTDMZVRHAPP-KZVJFYERSA-N	-2	0	210.229	1.374	1	0		BDAFRL
O=C(NCCc1ccccc1)P(=O)([O-])[O-]	ZINC000013441059	182205120	/nfs/dbraw/zinc/20/51/20/182205120.db2.gz	GHFCXEYUGIXTHN-UHFFFAOYSA-N	-2	0	229.172	1.116	1	0		BDAFRL
CC[C@H](C)C(NC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000069488808	574416519	/nfs/dbraw/zinc/41/65/19/574416519.db2.gz	GMIZRNPVWWGSLD-LURJTMIESA-N	-2	0	231.248	1.299	1	0	endogenous,in-vitro	BDAFRL
O=P([O-])([O-])ON1CCCc2cccc(O)c21	ZINC000028756333	132334193	/nfs/dbraw/zinc/33/41/93/132334193.db2.gz	PWKCTLXVVJHIKH-UHFFFAOYSA-N	-2	0	245.171	1.169	1	0		BDAFRL
CC(C)CC(NC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000069488812	574416522	/nfs/dbraw/zinc/41/65/22/574416522.db2.gz	CMYJIRPVVVGSOQ-UHFFFAOYSA-N	-2	0	231.248	1.299	1	0	endogenous,in-vitro	BDAFRL
COc1ccc(O[P@](=O)([O-])C(=O)[O-])cc1	ZINC000003653719	188276060	/nfs/dbraw/zinc/27/60/60/188276060.db2.gz	MNLGQNVSBMBKQH-UHFFFAOYSA-N	-2	0	232.128	1.937	1	0		BDAFRL
O=C([O-])[C@@H]1[C@H]2C=C[C@H](CCC2)[C@@H]1C(=O)[O-]	ZINC000026673172	188283405	/nfs/dbraw/zinc/28/34/05/188283405.db2.gz	QBJJTDMZVRHAPP-SPJNRGJMSA-N	-2	0	210.229	1.374	1	0		BDAFRL
O=C([O-])c1c(F)c2c(=O)[n-][nH]c2c(F)c1F	ZINC000102830959	188322498	/nfs/dbraw/zinc/32/24/98/188322498.db2.gz	GCKILDDLNXEXBO-UHFFFAOYSA-N	-2	0	232.117	1.384	1	0		BDAFRL
CC[C@@H](C)C(NC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000069488806	574416527	/nfs/dbraw/zinc/41/65/27/574416527.db2.gz	GMIZRNPVWWGSLD-ZCFIWIBFSA-N	-2	0	231.248	1.299	1	0	endogenous,in-vitro	BDAFRL
Cc1cccc(C)c1OP(=O)([O-])[O-]	ZINC000003012465	179048050	/nfs/dbraw/zinc/04/80/50/179048050.db2.gz	MFFNRVNPBJQZFO-UHFFFAOYSA-N	-2	0	202.146	1.775	1	0		BDAFRL
COc1cccc2c(C(=O)[O-])cc(C(=O)[O-])nc12	ZINC000026378144	175297940	/nfs/dbraw/zinc/29/79/40/175297940.db2.gz	YGUYPURPRMWHEC-UHFFFAOYSA-N	-2	0	247.206	1.640	1	0		BDAFRL
O=C(NC1CCCCCCC1)P(=O)([O-])[O-]	ZINC000013561093	182114401	/nfs/dbraw/zinc/11/44/01/182114401.db2.gz	RDECIIJACWTCQB-UHFFFAOYSA-N	-2	0	235.220	1.987	1	0		BDAFRL
O=P([O-])([O-])Oc1cccc2c1NCCC2	ZINC000012503720	581101667	/nfs/dbraw/zinc/10/16/67/581101667.db2.gz	NSJSAHCLJYVEDM-UHFFFAOYSA-N	-2	0	229.172	1.516	1	0	in-vivo	BDAFRL
O=C([O-])[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]12	ZINC000169361608	182545236	/nfs/dbraw/zinc/54/52/36/182545236.db2.gz	RKLMSTQEVORNHJ-AZDAQJLHSA-N	-2	0	224.256	1.454	1	0		BDAFRL
O=c1cc([O-])nc2c(-c3cccnc3)c[n-]n21	ZINC000071475495	183260484	/nfs/dbraw/zinc/26/04/84/183260484.db2.gz	GSWVYYXDNVSEAU-UHFFFAOYSA-N	-2	0	228.211	1.203	1	0		BDAFRL
O=C(NCC1CCCCC1)P(=O)([O-])[O-]	ZINC000013561091	182146330	/nfs/dbraw/zinc/14/63/30/182146330.db2.gz	XBMRQHZMWARLEG-UHFFFAOYSA-N	-2	0	221.193	1.454	1	0		BDAFRL