smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(NC(=O)CC(=O)n2[n-]c(C)c(NNc3cccc(C(=O)[O-])c3)c2=O)c1	ZINC000073275605	563171655	/nfs/dbraw/zinc/17/16/55/563171655.db2.gz	TYEJEAXUAYHKNK-HTTCZEMDSA-N	-2	0	439.428	2.136	1	10		IECFRL
O=C([O-])C[C@@H](OC(=O)c1cc2cc(O)c(O)cc2c(-c2ccc(O)c(O)c2)c1)C(=O)[O-]	ZINC000013340198	291338643	/nfs/dbraw/zinc/33/86/43/291338643.db2.gz	JBWSHFXUSJIRBC-GOSISDBHSA-N	-2	0	428.349	2.414	1	10	biogenic,in-vitro	IECFRL
COc1cccc(NC(=O)CC(=O)n2[n-]c(C)c(NNc3cccc(C(=O)[O-])c3)c2=O)c1	ZINC000073275610	563171660	/nfs/dbraw/zinc/17/16/60/563171660.db2.gz	TYEJEAXUAYHKNK-PYLOGRKQSA-N	-2	0	439.428	2.136	1	10		IECFRL
COc1cccc(NC(=O)CC(=O)n2[n-]c(C)c(NNc3cccc(C(=O)[O-])c3)c2=O)c1	ZINC000073275601	563171646	/nfs/dbraw/zinc/17/16/46/563171646.db2.gz	TYEJEAXUAYHKNK-OQLSNTKOSA-N	-2	0	439.428	2.136	1	10		IECFRL
COc1cccc(NC(=O)CC(=O)n2[n-]c(C)c(NNc3cccc(C(=O)[O-])c3)c2=O)c1	ZINC000073275599	563171648	/nfs/dbraw/zinc/17/16/48/563171648.db2.gz	TYEJEAXUAYHKNK-DBJVNNKDSA-N	-2	0	439.428	2.136	1	10		IECFRL