smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)[C@@H]1C(=O)C(C(=O)NCN2CCC[C@@H](C(=O)[O-])C2)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000004214104	561694270	/nfs/dbraw/zinc/69/42/70/561694270.db2.gz	LYOHRYSQMOWAQT-QUIJPAHRSA-N	-3	3	585.610	0.171	10	30	in-man	KCEEHL
CN(C)[C@@H]1C(=O)C(C(=O)NCN2CCC[C@H](C(=O)[O-])C2)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000040163352	562073181	/nfs/dbraw/zinc/07/31/81/562073181.db2.gz	LYOHRYSQMOWAQT-GNJZVECUSA-N	-3	3	585.610	0.171	10	30	in-man	KCEEHL
CN(C)[C@@H]1C([O-])=C(C(=O)NCN[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000085537124	562753201	/nfs/dbraw/zinc/75/32/01/562753201.db2.gz	ZVVMCQBZCQRRME-YABKDXSZSA-N	-3	3	805.863	0.337	10	30	in-man	KCEEHL
CN(C)[C@@H]1C(=O)C(C(=O)NCN[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000085537124	562753200	/nfs/dbraw/zinc/75/32/00/562753200.db2.gz	ZVVMCQBZCQRRME-YABKDXSZSA-N	-3	3	805.863	0.337	10	30	in-man	KCEEHL
CN(C)[C@@H]1C([O-])=C(C(=O)NCN[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@H]12	ZINC000085537127	562753197	/nfs/dbraw/zinc/75/31/97/562753197.db2.gz	ZVVMCQBZCQRRME-QWZBWJELSA-N	-3	3	805.863	0.337	10	30	in-man	KCEEHL
CN(C)[C@@H]1C(=O)C(C(=O)NCN[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@H]12	ZINC000085537127	562753196	/nfs/dbraw/zinc/75/31/96/562753196.db2.gz	ZVVMCQBZCQRRME-QWZBWJELSA-N	-3	3	805.863	0.337	10	30	in-man	KCEEHL
CN(C)[C@@H]1C([O-])=C(C(=O)NCN[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000085537129	562753207	/nfs/dbraw/zinc/75/32/07/562753207.db2.gz	ZVVMCQBZCQRRME-XXABONLWSA-N	-3	3	805.863	0.337	10	30	in-man	KCEEHL
CN(C)[C@@H]1C(=O)C(C(=O)NCN[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000085537129	562753206	/nfs/dbraw/zinc/75/32/06/562753206.db2.gz	ZVVMCQBZCQRRME-XXABONLWSA-N	-3	3	805.863	0.337	10	30	in-man	KCEEHL
CN(C)[C@@H]1C([O-])=C(C(=O)NCN[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@H]12	ZINC000085537131	562753190	/nfs/dbraw/zinc/75/31/90/562753190.db2.gz	ZVVMCQBZCQRRME-ZJNCMQLFSA-N	-3	3	805.863	0.337	10	30	in-man	KCEEHL
CN(C)[C@@H]1C(=O)C(C(=O)NCN[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@H]12	ZINC000085537131	562753189	/nfs/dbraw/zinc/75/31/89/562753189.db2.gz	ZVVMCQBZCQRRME-ZJNCMQLFSA-N	-3	3	805.863	0.337	10	30	in-man	KCEEHL
C=C(C)[C@@H]1NC(=O)[C@H](NC)[C@H](O)c2cc(Cl)c([O-])c(c2)O[C@](C)(CC)[C@@H](C(=O)N2CC=C[C@H]2C(=O)N/C(C(=O)N/C(=C/C(=O)[O-])C(=O)[O-])=C(\C)CC)NC1=O	ZINC000223589189	574049119	/nfs/dbraw/zinc/04/91/19/574049119.db2.gz	FAFRRYBYQKPKSY-BFFGXNOCSA-N	-3	3	789.239	0.510	10	30	endogenous,in-man	KCEEHL