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-])c1ccc2[n-]c(-c3cc4cc(F)ccc4oc3=O)nc2c1	ZINC000006917843	304254502	/nfs/dbraw/zinc/25/45/02/304254502.db2.gz	OKWWGBLRKCUUQI-UHFFFAOYSA-N	-2	3	324.267	3.174	1	0		DGAFHL
COc1cc2c(oc3c2c(C)cc(OC)c3[O-])c(C(=O)[O-])c1	ZINC000006521581	571690832	/nfs/dbraw/zinc/69/08/32/571690832.db2.gz	SXRYQQFROYXBDQ-UHFFFAOYSA-N	-2	3	302.282	3.315	1	0	endogenous,in-man	DGAFHL
COc1ccc([C@@H](N[C@H](C)c2ccccc2)P(=O)([O-])[O-])cc1	ZINC000040380087	183058443	/nfs/dbraw/zinc/05/84/43/183058443.db2.gz	SMDIVUHOEDWVRD-WBMJQRKESA-N	-2	3	321.313	3.222	1	0		DGAFHL
CCCCc1c([O-])c2cc([O-])cnc2n(-c2ccccc2)c1=O	ZINC000100819163	193804510	/nfs/dbraw/zinc/80/45/10/193804510.db2.gz	IMSFZZSOSZJLGL-UHFFFAOYSA-N	-2	3	310.353	3.140	1	0		DGAFHL
O=C(Nc1ccc(F)c(F)c1)c1cc(=O)c2cccc([O-])c2[n-]1	ZINC000082149126	192362083	/nfs/dbraw/zinc/36/20/83/192362083.db2.gz	CUKGKGFZDIDAJR-UHFFFAOYSA-N	-2	3	316.263	3.177	1	0		DGAFHL
O=C(Nc1cccc(F)c1F)c1cc(=O)c2cccc([O-])c2[n-]1	ZINC000082151768	192361858	/nfs/dbraw/zinc/36/18/58/192361858.db2.gz	UMQQMPHBWZDAQM-UHFFFAOYSA-N	-2	3	316.263	3.177	1	0		DGAFHL
COc1ccc(-c2cnc(C(=O)[O-])nc2-c2ccccc2[O-])cc1	ZINC000040394800	183060856	/nfs/dbraw/zinc/06/08/56/183060856.db2.gz	XTHXIDSDTWAUNS-UHFFFAOYSA-N	-2	3	322.320	3.223	1	0		DGAFHL
COc1ccc([C@H](N[C@@H](C)c2ccccc2)P(=O)([O-])[O-])cc1	ZINC000040424438	183065315	/nfs/dbraw/zinc/06/53/15/183065315.db2.gz	SMDIVUHOEDWVRD-BLLLJJGKSA-N	-2	3	321.313	3.222	1	0		DGAFHL
COc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(F)cc1	ZINC000006483420	181344179	/nfs/dbraw/zinc/34/41/79/181344179.db2.gz	PTQSOJSHLVMMJD-UHFFFAOYSA-N	-2	3	302.257	3.019	1	0		DGAFHL
COc1cc2oc3c(c2c([O-])c1)COc1cc(OC)cc([O-])c1-3	ZINC000014763555	560225844	/nfs/dbraw/zinc/22/58/44/560225844.db2.gz	RVGZSUMTFIEORY-UHFFFAOYSA-N	-2	3	314.293	3.421	1	0	biogenic,in-vitro	DGAFHL
COc1ccc(Oc2oc3cc([O-])ccc3c(=O)c2[O-])cc1	ZINC000095486297	290917616	/nfs/dbraw/zinc/91/76/16/290917616.db2.gz	DSNLAZJSSMSYNP-UHFFFAOYSA-N	-2	3	300.266	3.005	1	0	biogenic,in-vitro	DGAFHL
O=S(=O)(c1ccc([O-])cc1)c1ccc([O-])c2ccccc21	ZINC000060329765	184146123	/nfs/dbraw/zinc/14/61/23/184146123.db2.gz	BVQFPPNERMPIPN-UHFFFAOYSA-N	-2	3	300.335	3.084	1	0		DGAFHL
O=c1[n-]c(=S)nc2cc(-c3ccc(C(F)(F)F)cc3)[n-]n21	ZINC000096928235	185391942	/nfs/dbraw/zinc/39/19/42/185391942.db2.gz	QBUAYNQZPUZZRY-UHFFFAOYSA-N	-2	3	312.276	3.178	1	0		DGAFHL
CC(C)(C)c1ccc(-c2cc3nc(=S)[n-]c(=O)n3[n-]2)cc1	ZINC000096928237	185391950	/nfs/dbraw/zinc/39/19/50/185391950.db2.gz	STCGVSABFFZGBH-UHFFFAOYSA-N	-2	3	300.387	3.457	1	0		DGAFHL
O=c1[n-]c(=S)nc2c(-c3ccc(C(F)(F)F)cc3)c[n-]n21	ZINC000096922739	185391727	/nfs/dbraw/zinc/39/17/27/185391727.db2.gz	IHUFIQUSTCIJRY-UHFFFAOYSA-N	-2	3	312.276	3.178	1	0		DGAFHL
O=C(Nc1ccc(F)cc1F)c1cc(=O)c2cccc([O-])c2[n-]1	ZINC000082151767	192361936	/nfs/dbraw/zinc/36/19/36/192361936.db2.gz	ZRKDAJHREHDDBO-UHFFFAOYSA-N	-2	3	316.263	3.177	1	0		DGAFHL
O=C(NC1CCCCCC1)c1cc(=O)c2cccc([O-])c2[n-]1	ZINC000082151776	192362296	/nfs/dbraw/zinc/36/22/96/192362296.db2.gz	ISQINEPQCJJGMP-UHFFFAOYSA-N	-2	3	300.358	3.099	1	0		DGAFHL
O=C1c2ccc([O-])cc2C(=O)N1c1ccc([O-])c2ccccc21	ZINC000028818106	581101517	/nfs/dbraw/zinc/10/15/17/581101517.db2.gz	JLDZTKAOOLXEIR-UHFFFAOYSA-N	-2	3	305.289	3.052	1	0		DGAFHL
CC(C)(C)c1ccc(-c2c[n-]n3c2nc(=S)[n-]c3=O)cc1	ZINC000096922741	185391776	/nfs/dbraw/zinc/39/17/76/185391776.db2.gz	RROJQTPDINGCMU-UHFFFAOYSA-N	-2	3	300.387	3.457	1	0		DGAFHL