smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3c[nH]nn3)CS[C@H]12)c1ccc(O)cc1	ZINC000003830403	194362005	/nfs/dbraw/zinc/36/20/05/194362005.db2.gz	UOCJDOLVGGIYIQ-OGHNNQOOSA-N	-1	1	462.513	0.041	10	0	in-vitro	JCAEMM
Cc1c(CCO[P@@](=O)([O-])O[P@](=O)([O-])O)sc([C@@H](C)O)[n+]1Cc1cnc(C)nc1N	ZINC000008219744	571691899	/nfs/dbraw/zinc/69/18/99/571691899.db2.gz	RRUVJGASJONMDY-SECBINFHSA-O	-1	1	469.373	0.895	10	0	endogenous,in-man	JCAEMM
Cc1c(CCO[P@@](=O)([O-])O[P@@](=O)([O-])O)sc([C@@H](C)O)[n+]1Cc1cnc(C)nc1N	ZINC000008219744	571691896	/nfs/dbraw/zinc/69/18/96/571691896.db2.gz	RRUVJGASJONMDY-SECBINFHSA-O	-1	1	469.373	0.895	10	0	endogenous,in-man	JCAEMM
Cc1c(CCO[P@@](=O)([O-])O[P@](=O)([O-])O)sc([C@H](C)O)[n+]1Cc1cnc(C)nc1N	ZINC000008219746	571691759	/nfs/dbraw/zinc/69/17/59/571691759.db2.gz	RRUVJGASJONMDY-VIFPVBQESA-O	-1	1	469.373	0.895	10	0	endogenous,in-man	JCAEMM
Cc1c(CCO[P@@](=O)([O-])O[P@@](=O)([O-])O)sc([C@H](C)O)[n+]1Cc1cnc(C)nc1N	ZINC000008219746	571691754	/nfs/dbraw/zinc/69/17/54/571691754.db2.gz	RRUVJGASJONMDY-VIFPVBQESA-O	-1	1	469.373	0.895	10	0	endogenous,in-man	JCAEMM
CC(=O)OC[C@@H]1O[C@@H](Oc2cc([O-])c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014811789	571724385	/nfs/dbraw/zinc/72/43/85/571724385.db2.gz	DXWGBJJLEDQBKS-MPQLGERFSA-N	-1	1	474.418	0.621	10	0	endogenous,in-man	JCAEMM
CC(=O)OC[C@@H]1O[C@@H](Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014811789	571724382	/nfs/dbraw/zinc/72/43/82/571724382.db2.gz	DXWGBJJLEDQBKS-MPQLGERFSA-N	-1	1	474.418	0.621	10	0	endogenous,in-man	JCAEMM
CCCc1cc(=O)[n-]c(=S)n1[C@@H]1O[C@H](C(=O)OC)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000022066160	555868963	/nfs/dbraw/zinc/86/89/63/555868963.db2.gz	GDVMCHRMASTWFS-IECFSIQFSA-N	-1	1	486.499	0.724	10	0	in-vitro	JCAEMM
CC(=O)OC[C@@H]1O[C@H](Oc2cc([O-])c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000034000389	574414176	/nfs/dbraw/zinc/41/41/76/574414176.db2.gz	DXWGBJJLEDQBKS-CZIXKKEKSA-N	-1	1	474.418	0.621	10	0	endogenous,in-man	JCAEMM
CC(=O)OC[C@@H]1O[C@H](Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000034000389	574414175	/nfs/dbraw/zinc/41/41/75/574414175.db2.gz	DXWGBJJLEDQBKS-CZIXKKEKSA-N	-1	1	474.418	0.621	10	0	endogenous,in-man	JCAEMM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000040503508	563144714	/nfs/dbraw/zinc/14/47/14/563144714.db2.gz	NJQMBFDOYQGROG-FKBYEOEOSA-N	-1	1	498.580	0.721	10	0		JCAEMM
COc1ccc(-c2cc(=O)c3c([O-])c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)cc1	ZINC000059737294	569607575	/nfs/dbraw/zinc/60/75/75/569607575.db2.gz	ROLSKYQOJWBOTN-RWMNSCGUSA-N	-1	1	476.434	0.362	10	0		JCAEMM
COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2OC)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000143001325	569867548	/nfs/dbraw/zinc/86/75/48/569867548.db2.gz	BLLTXLXSBUMNOK-VLXBDIDVSA-N	-1	1	474.418	0.534	10	0	biogenic	JCAEMM
COC(=O)[C@@H]1O[C@H](Oc2cc(=O)c3c([O-])cc(-c4ccc(O)cc4)oc-3c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000238740133	560040588	/nfs/dbraw/zinc/04/05/88/560040588.db2.gz	XXKIWCKZQFBXIR-JPVHLGFFSA-N	-1	1	460.391	0.231	10	0	biogenic	JCAEMM
CC(=O)OC[C@@H]1O[C@@H](Oc2cc([O-])c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000257411365	571859291	/nfs/dbraw/zinc/85/92/91/571859291.db2.gz	DXWGBJJLEDQBKS-GBCNUAAFSA-N	-1	1	474.418	0.621	10	0	endogenous,in-man	JCAEMM
CC(=O)OC[C@@H]1O[C@@H](Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000257411365	571859285	/nfs/dbraw/zinc/85/92/85/571859285.db2.gz	DXWGBJJLEDQBKS-GBCNUAAFSA-N	-1	1	474.418	0.621	10	0	endogenous,in-man	JCAEMM
COc1ccc(-c2coc3cc(O[C@H]4O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]4O)cc(=O)c-3c2O)cc1	ZINC000409444162	1068083086	/nfs/dbraw/zinc/08/30/86/1068083086.db2.gz	KXYGEGYBMOCKNJ-JPVHLGFFSA-N	-1	1	460.391	0.445	10	0		JCAEMM
COc1ccc(-c2coc3cc(O[C@H]4O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]4O)cc(O)c3c2=O)cc1	ZINC000409444162	1068083074	/nfs/dbraw/zinc/08/30/74/1068083074.db2.gz	KXYGEGYBMOCKNJ-JPVHLGFFSA-N	-1	1	460.391	0.445	10	0		JCAEMM
COc1ccc(-c2coc3cc(O[C@@H]4O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]4O)cc(=O)c-3c2O)cc1	ZINC000409444163	1068083018	/nfs/dbraw/zinc/08/30/18/1068083018.db2.gz	KXYGEGYBMOCKNJ-OUUKCGNVSA-N	-1	1	460.391	0.445	10	0		JCAEMM
COc1ccc(-c2coc3cc(O[C@@H]4O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]4O)cc(O)c3c2=O)cc1	ZINC000409444163	1068083004	/nfs/dbraw/zinc/08/30/04/1068083004.db2.gz	KXYGEGYBMOCKNJ-OUUKCGNVSA-N	-1	1	460.391	0.445	10	0		JCAEMM