smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178935	541109633	/nfs/dbraw/zinc/10/96/33/541109633.db2.gz	KVCPOUHIDCPFLV-QFIPXVFZSA-N	-1	2	463.511	4.763	1	30		JJEFLM
CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178935	541109638	/nfs/dbraw/zinc/10/96/38/541109638.db2.gz	KVCPOUHIDCPFLV-QFIPXVFZSA-N	-1	2	463.511	4.763	1	30		JJEFLM
CCCC(=O)c1c(O)c(C)c(O)c(CC2C(=O)C(C(=O)CCC)=C([O-])C(C)(C)C2=O)c1OC	ZINC000103559026	560051618	/nfs/dbraw/zinc/05/16/18/560051618.db2.gz	KIIBHXFDDDTTGM-UHFFFAOYSA-N	-1	2	460.523	4.542	1	30	biogenic,in-vitro	JJEFLM
CCCC(=O)c1c(O)c(C)c(O)c(CC2C(=O)C(C)(C)C(=O)C(C(=O)CCC)=C2[O-])c1OC	ZINC000103559026	560051620	/nfs/dbraw/zinc/05/16/20/560051620.db2.gz	KIIBHXFDDDTTGM-UHFFFAOYSA-N	-1	2	460.523	4.542	1	30	biogenic,in-vitro	JJEFLM
CCCC(=O)c1c(O)c(C)c(O)c(CC2C(=O)C(=C([O-])CCC)C(=O)C(C)(C)C2=O)c1OC	ZINC000103559026	560051622	/nfs/dbraw/zinc/05/16/22/560051622.db2.gz	KIIBHXFDDDTTGM-UHFFFAOYSA-N	-1	2	460.523	4.542	1	30	biogenic,in-vitro	JJEFLM
CCCC(=O)c1c(O)c(CC2C(=O)C(C(=O)CCC)=C([O-])C(C)(C)C2=O)c(O)c(C)c1OC	ZINC000100900216	560052615	/nfs/dbraw/zinc/05/26/15/560052615.db2.gz	DCEHSZHMKGBNHS-UHFFFAOYSA-N	-1	2	460.523	4.542	1	30	biogenic,in-vitro	JJEFLM
CCCC(=O)c1c(O)c(CC2C(=O)C(C)(C)C(=O)C(C(=O)CCC)=C2[O-])c(O)c(C)c1OC	ZINC000100900216	560052617	/nfs/dbraw/zinc/05/26/17/560052617.db2.gz	DCEHSZHMKGBNHS-UHFFFAOYSA-N	-1	2	460.523	4.542	1	30	biogenic,in-vitro	JJEFLM
CCCC(=O)c1c(O)c(CC2C(=O)C(=C([O-])CCC)C(=O)C(C)(C)C2=O)c(O)c(C)c1OC	ZINC000100900216	560052619	/nfs/dbraw/zinc/05/26/19/560052619.db2.gz	DCEHSZHMKGBNHS-UHFFFAOYSA-N	-1	2	460.523	4.542	1	30	biogenic,in-vitro	JJEFLM
CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178938	541109588	/nfs/dbraw/zinc/10/95/88/541109588.db2.gz	KVCPOUHIDCPFLV-JOCHJYFZSA-N	-1	2	463.511	4.763	1	30		JJEFLM
CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178938	541109591	/nfs/dbraw/zinc/10/95/91/541109591.db2.gz	KVCPOUHIDCPFLV-JOCHJYFZSA-N	-1	2	463.511	4.763	1	30		JJEFLM
CCC(=O)c1c(O)c(CC2C(=O)C(C(=O)CC)=C([O-])C(C)(C)C2=O)c(O)c2c1OC(C)(C)C=C2	ZINC000100901445	560052589	/nfs/dbraw/zinc/05/25/89/560052589.db2.gz	KFOIHZFXWKXAHE-UHFFFAOYSA-N	-1	2	470.518	4.629	1	30	biogenic,in-vitro	JJEFLM
CCC(=O)c1c(O)c(CC2C(=O)C(C)(C)C(=O)C(C(=O)CC)=C2[O-])c(O)c2c1OC(C)(C)C=C2	ZINC000100901445	560052591	/nfs/dbraw/zinc/05/25/91/560052591.db2.gz	KFOIHZFXWKXAHE-UHFFFAOYSA-N	-1	2	470.518	4.629	1	30	biogenic,in-vitro	JJEFLM
CCC(=O)c1c(O)c(CC2C(=O)C(=C([O-])CC)C(=O)C(C)(C)C2=O)c(O)c2c1OC(C)(C)C=C2	ZINC000100901445	560052593	/nfs/dbraw/zinc/05/25/93/560052593.db2.gz	KFOIHZFXWKXAHE-UHFFFAOYSA-N	-1	2	470.518	4.629	1	30	biogenic,in-vitro	JJEFLM
CC[C@@H](C)C(=O)c1c(O)c(C)c(O)c(CC2C(=O)C(C(=O)[C@@H](C)CC)=C([O-])C(C)(C)C2=O)c1O	ZINC000103568112	560052093	/nfs/dbraw/zinc/05/20/93/560052093.db2.gz	HQVWMGKZNGHGNX-NEPJUHHUSA-N	-1	2	474.550	4.731	1	30	biogenic,in-vitro	JJEFLM
CC[C@@H](C)C(=O)c1c(O)c(C)c(O)c(CC2C(=O)C(C)(C)C(=O)C(C(=O)[C@@H](C)CC)=C2[O-])c1O	ZINC000103568112	560052095	/nfs/dbraw/zinc/05/20/95/560052095.db2.gz	HQVWMGKZNGHGNX-NEPJUHHUSA-N	-1	2	474.550	4.731	1	30	biogenic,in-vitro	JJEFLM
CC[C@@H](C)C(=O)c1c(O)c(C)c(O)c(CC2C(=O)C(=C([O-])[C@@H](C)CC)C(=O)C(C)(C)C2=O)c1O	ZINC000103568112	560052096	/nfs/dbraw/zinc/05/20/96/560052096.db2.gz	HQVWMGKZNGHGNX-NEPJUHHUSA-N	-1	2	474.550	4.731	1	30	biogenic,in-vitro	JJEFLM
CCCCCC=C(c1cc(Cl)c([O-])c(C(=O)NO)c1)c1cc(Cl)c(O)c(C(=O)NO)c1	ZINC000005729373	562934646	/nfs/dbraw/zinc/93/46/46/562934646.db2.gz	BAWZYPZGXYOSON-UHFFFAOYSA-N	-1	2	469.321	4.655	1	30		JJEFLM