smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
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	571724387	/nfs/dbraw/zinc/72/43/87/571724387.db2.gz	DXWGBJJLEDQBKS-MPQLGERFSA-N	0	2	474.418	0.621	10	0	endogenous,in-man	JCAELN
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	574414177	/nfs/dbraw/zinc/41/41/77/574414177.db2.gz	DXWGBJJLEDQBKS-CZIXKKEKSA-N	0	2	474.418	0.621	10	0	endogenous,in-man	JCAELN
COc1ccc(-c2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc-3o2)cc1	ZINC000059737294	569607576	/nfs/dbraw/zinc/60/75/76/569607576.db2.gz	ROLSKYQOJWBOTN-RWMNSCGUSA-N	0	2	476.434	0.362	10	0		JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]2O)cc1F	ZINC000077286857	569705509	/nfs/dbraw/zinc/70/55/09/569705509.db2.gz	BFJRATXGRKMYFE-ULYMPILBSA-N	0	2	475.470	0.251	10	0	in-vitro	JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]2O)cc1F	ZINC000077286861	569705474	/nfs/dbraw/zinc/70/54/74/569705474.db2.gz	BFJRATXGRKMYFE-JZEYEVJQSA-N	0	2	475.470	0.251	10	0	in-vitro	JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@@H]2O)cc1F	ZINC000077286864	569705428	/nfs/dbraw/zinc/70/54/28/569705428.db2.gz	BFJRATXGRKMYFE-VNLHDYJUSA-N	0	2	475.470	0.251	10	0	in-vitro	JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@@H]2O)cc1F	ZINC000077286867	569705443	/nfs/dbraw/zinc/70/54/43/569705443.db2.gz	BFJRATXGRKMYFE-SVIYVFGMSA-N	0	2	475.470	0.251	10	0	in-vitro	JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F	ZINC000077286871	569705421	/nfs/dbraw/zinc/70/54/21/569705421.db2.gz	BFJRATXGRKMYFE-YXUPXXBNSA-N	0	2	475.470	0.251	10	0		JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@@H]3O)[C@@H]2O)cc1F	ZINC000077286873	569705411	/nfs/dbraw/zinc/70/54/11/569705411.db2.gz	VTELESLWOUWJLQ-OWIOTCKRSA-N	0	2	475.470	0.251	10	0	in-vitro	JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@@H]3O)[C@@H]2O)cc1F	ZINC000077286876	569705511	/nfs/dbraw/zinc/70/55/11/569705511.db2.gz	VTELESLWOUWJLQ-JZEYEVJQSA-N	0	2	475.470	0.251	10	0	in-vitro	JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@@H]3O)[C@@H]2O)cc1F	ZINC000077286878	569705459	/nfs/dbraw/zinc/70/54/59/569705459.db2.gz	VTELESLWOUWJLQ-NEFBJRNKSA-N	0	2	475.470	0.251	10	0	in-vitro	JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@@H]3O)[C@@H]2O)cc1F	ZINC000077286882	569705495	/nfs/dbraw/zinc/70/54/95/569705495.db2.gz	VTELESLWOUWJLQ-SVIYVFGMSA-N	0	2	475.470	0.251	10	0	in-vitro	JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O[C@H]3O[C@H](C)[C@@H](O)[C@@H]3O)[C@@H]2O)cc1F	ZINC000077286886	569705466	/nfs/dbraw/zinc/70/54/66/569705466.db2.gz	VTELESLWOUWJLQ-FWCWRJJUSA-N	0	2	475.470	0.251	10	0	in-vitro	JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O[C@H]3O[C@H](C)[C@@H](O)[C@@H]3O)[C@@H]2O)cc1F	ZINC000077286890	569705408	/nfs/dbraw/zinc/70/54/08/569705408.db2.gz	VTELESLWOUWJLQ-QFLMKRGNSA-N	0	2	475.470	0.251	10	0	in-vitro	JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O[C@H]3O[C@H](C)[C@H](O)[C@@H]3O)[C@@H]2O)cc1F	ZINC000077286893	569705502	/nfs/dbraw/zinc/70/55/02/569705502.db2.gz	VTELESLWOUWJLQ-YHXZHEKLSA-N	0	2	475.470	0.251	10	0	in-vitro	JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O[C@H]3O[C@H](C)[C@H](O)[C@@H]3O)[C@@H]2O)cc1F	ZINC000077286897	569705431	/nfs/dbraw/zinc/70/54/31/569705431.db2.gz	VTELESLWOUWJLQ-CHASAGCXSA-N	0	2	475.470	0.251	10	0	in-vitro	JCAELN
COC(=O)[C@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000077293050	569705767	/nfs/dbraw/zinc/70/57/67/569705767.db2.gz	HVGSXXYBHZFACL-SXFAUFNYSA-N	0	2	460.391	0.231	10	0	in-vitro	JCAELN
COC(=O)[C@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)cc(=O)c-4c3O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000077293050	569705765	/nfs/dbraw/zinc/70/57/65/569705765.db2.gz	HVGSXXYBHZFACL-SXFAUFNYSA-N	0	2	460.391	0.231	10	0	in-vitro	JCAELN
C[N@H+]1CCN2c3ccccc3Cc3cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)ccc3[C@@H]2C1	ZINC000077300725	569705783	/nfs/dbraw/zinc/70/57/83/569705783.db2.gz	ITNHGSGVULVUQW-TYTICQBYSA-N	0	2	456.495	0.355	10	0	in-vitro	JCAELN
C[N@@H+]1CCN2c3ccccc3Cc3cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)ccc3[C@@H]2C1	ZINC000077300725	569705781	/nfs/dbraw/zinc/70/57/81/569705781.db2.gz	ITNHGSGVULVUQW-TYTICQBYSA-N	0	2	456.495	0.355	10	0	in-vitro	JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H]3O)[C@H]2O)cc1F	ZINC000096030542	569732138	/nfs/dbraw/zinc/73/21/38/569732138.db2.gz	VTELESLWOUWJLQ-YXUPXXBNSA-N	0	2	475.470	0.251	10	0		JCAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O[C@H]3O[C@H](C)[C@@H](O)[C@H]3O)[C@H]2O)cc1F	ZINC000096030748	569732146	/nfs/dbraw/zinc/73/21/46/569732146.db2.gz	VTELESLWOUWJLQ-QGGDVEHGSA-N	0	2	475.470	0.251	10	0		JCAELN
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	571859294	/nfs/dbraw/zinc/85/92/94/571859294.db2.gz	DXWGBJJLEDQBKS-GBCNUAAFSA-N	0	2	474.418	0.621	10	0	endogenous,in-man	JCAELN