smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)/C(=C/c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)C(=O)[N-]C1=S	ZINC000408902645	556885331	/nfs/dbraw/zinc/88/53/31/556885331.db2.gz	PEIVBWALHMGDMG-XDHOZWIPSA-N	-2	1	445.500	3.201	40	30		IGEBML
C/C=C(\C)[C@@H]1C=C[C@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C([O-])=C1C(=O)N[C@@H](C[C@](C)(O)C(=O)[O-])C1=O	ZINC000013369167	518484142	/nfs/dbraw/zinc/48/41/42/518484142.db2.gz	ZLIYAXUPOBJNFP-IAJUCZBISA-N	-2	1	445.556	3.159	40	30	biogenic,in-vitro	IGEBML
C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C([O-])=C1C(=O)N[C@@H](C[C@](C)(O)C(=O)[O-])C1=O	ZINC000013369163	518484279	/nfs/dbraw/zinc/48/42/79/518484279.db2.gz	ZLIYAXUPOBJNFP-VANQAGLGSA-N	-2	1	445.556	3.159	40	30	biogenic,in-vitro	IGEBML
C/C=C(\C)[C@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C([O-])=C1C(=O)N[C@@H](C[C@](C)(O)C(=O)[O-])C1=O	ZINC000013369165	518484530	/nfs/dbraw/zinc/48/45/30/518484530.db2.gz	ZLIYAXUPOBJNFP-IYBHSADISA-N	-2	1	445.556	3.159	40	30	biogenic,in-vitro	IGEBML
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)[O-])ccc3Cl)c2C)C(=O)[N-]C1=S	ZINC000408902802	556885600	/nfs/dbraw/zinc/88/56/00/556885600.db2.gz	LKPHJAAMZOJTEN-OQLLNIDSSA-N	-2	1	443.912	3.258	40	30		IGEBML
C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C([O-])=C1C(=O)N[C@H](C[C@](C)(O)C(=O)[O-])C1=O	ZINC000253389727	560039322	/nfs/dbraw/zinc/03/93/22/560039322.db2.gz	ZLIYAXUPOBJNFP-XFWHUCCLSA-N	-2	1	445.556	3.159	40	30	biogenic,in-vitro	IGEBML
C/C=C(\C)[C@H]1C=C[C@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C([O-])=C1C(=O)N[C@@H](C[C@](C)(O)C(=O)[O-])C1=O	ZINC000013369169	518484200	/nfs/dbraw/zinc/48/42/00/518484200.db2.gz	ZLIYAXUPOBJNFP-FOAOWSFDSA-N	-2	1	445.556	3.159	40	30	biogenic,in-vitro	IGEBML
C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C([O-])=C1C(=O)N[C@H](C[C@@](C)(O)C(=O)[O-])C1=O	ZINC000253389725	560039327	/nfs/dbraw/zinc/03/93/27/560039327.db2.gz	ZLIYAXUPOBJNFP-SHOCLYOUSA-N	-2	1	445.556	3.159	40	30	biogenic,in-vitro	IGEBML
C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C([O-])=C1C(=O)N[C@@H](C[C@@](C)(O)C(=O)[O-])C1=O	ZINC000253389726	560039317	/nfs/dbraw/zinc/03/93/17/560039317.db2.gz	ZLIYAXUPOBJNFP-XFLRRHKPSA-N	-2	1	445.556	3.159	40	30	biogenic,in-vitro	IGEBML