smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N\c2ccc([O-])c(-c3nc4ccccc4s3)c2)c1	ZINC000020074961	555628182	/nfs/dbraw/zinc/62/81/82/555628182.db2.gz	AVSIAISBSGWCAZ-YVNNLAQVSA-N	-2	1	470.304	5.796	10	30		JKEEML
C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000008220172	560207478	/nfs/dbraw/zinc/20/74/78/560207478.db2.gz	JCAIWDXKLCEQEO-PGHZQYBFSA-N	-2	1	450.449	5.738	10	30	in-vitro	JKEEML
C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000008220172	560207479	/nfs/dbraw/zinc/20/74/79/560207479.db2.gz	JCAIWDXKLCEQEO-PGHZQYBFSA-N	-2	1	450.449	5.738	10	30	in-vitro	JKEEML
C=C1CC[C@@]2(C)C[C@@]2(C)[C@H]2[C@H]1CC[C@]2(C)[C@H](CC(C)C)c1c([O-])c(C=O)c(O)c(C=O)c1[O-]	ZINC000098214456	569750947	/nfs/dbraw/zinc/75/09/47/569750947.db2.gz	XELFFJRYLFQFHL-MUJRNOLZSA-N	-2	1	454.607	6.357	10	30		JKEEML
C=C1CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@]3(C)[C@@H](CC(C)C)c1c([O-])c(C=O)c(O)c(C=O)c1[O-])C2(C)C	ZINC000031998249	556412565	/nfs/dbraw/zinc/41/25/65/556412565.db2.gz	IEWHEHWXBLPFER-HUCVFKCKSA-N	-2	1	454.607	6.213	10	30	biogenic	JKEEML
C=C1CC[C@@H]2[C@H]([C@@H]3[C@@H]1CC[C@@]3(C)[C@@H](CC(C)C)c1c([O-])c(C=O)c(O)c(C=O)c1[O-])C2(C)C	ZINC000230093998	574420352	/nfs/dbraw/zinc/42/03/52/574420352.db2.gz	IEWHEHWXBLPFER-ZOTLIJQESA-N	-2	1	454.607	6.213	10	30	endogenous,in-man	JKEEML
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000008436878	560208861	/nfs/dbraw/zinc/20/88/61/560208861.db2.gz	JCAIWDXKLCEQEO-ATPOGHATSA-N	-2	1	450.449	5.738	10	30	in-vitro	JKEEML
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000008436878	560208863	/nfs/dbraw/zinc/20/88/63/560208863.db2.gz	JCAIWDXKLCEQEO-ATPOGHATSA-N	-2	1	450.449	5.738	10	30	in-vitro	JKEEML
C=C1CC[C@@H]([C@@H](CC(C)C)c2c([O-])c(C=O)c(O)c(C=O)c2[O-])[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	ZINC000031494942	574414019	/nfs/dbraw/zinc/41/40/19/574414019.db2.gz	OOAOETHJYYAVCC-SMYUTWQPSA-N	-2	1	472.622	5.718	10	30	endogenous,in-man	JKEEML
C=C1CC[C@@]2(C)C[C@@]2(C)[C@H]2[C@H]1CC[C@]2(C)[C@@H](CC(C)C)c1c([O-])c(C=O)c(O)c(C=O)c1[O-]	ZINC000098214455	569750980	/nfs/dbraw/zinc/75/09/80/569750980.db2.gz	XELFFJRYLFQFHL-KPIUDDHLSA-N	-2	1	454.607	6.357	10	30		JKEEML
C=C1CC[C@@H]([C@H](CC(C)C)c2c([O-])c(C=O)c(O)c(C=O)c2[O-])[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	ZINC000031494940	556397844	/nfs/dbraw/zinc/39/78/44/556397844.db2.gz	OOAOETHJYYAVCC-GNLPDQNGSA-N	-2	1	472.622	5.718	10	30	endogenous,in-man	JKEEML
CC(C)=CCc1cc(/C=C/C(=O)c2ccc(O)c(CC=C(C)C)c2O)cc2c1OC(C)(C)C=C2	ZINC000033833762	560088036	/nfs/dbraw/zinc/08/80/36/560088036.db2.gz	AIFRLZKCLIPEMC-UKTHLTGXSA-N	-2	1	458.598	7.196	10	30	biogenic,in-vitro	JKEEML
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000008436880	560208880	/nfs/dbraw/zinc/20/88/80/560208880.db2.gz	JCAIWDXKLCEQEO-HZEYQZKKSA-N	-2	1	450.449	5.738	10	30	in-vitro	JKEEML
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000008436880	560208883	/nfs/dbraw/zinc/20/88/83/560208883.db2.gz	JCAIWDXKLCEQEO-HZEYQZKKSA-N	-2	1	450.449	5.738	10	30	in-vitro	JKEEML