smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C([O-])=C[N+]#N	ZINC000015722345	555957091	/nfs/dbraw/zinc/95/70/91/555957091.db2.gz	RYXAYZBFIBMXRV-GKVSMKOHSA-N	0	1	498.539	3.216	10	10		JGCEMN
COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CCN(Cc1ccc(N3CCCC3)cc1)CC2	ZINC000014888362	521781759	/nfs/dbraw/zinc/78/17/59/521781759.db2.gz	CLMYMJJIRNLNAS-HSZRJFAPSA-N	0	1	495.620	3.241	10	10		JGCEMN
COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1ccc3c(c1)CCCN3C(C)C)CC2	ZINC000011788870	555823180	/nfs/dbraw/zinc/82/31/80/555823180.db2.gz	BWBJOGIPSSFGBF-UHFFFAOYSA-N	0	1	478.637	3.312	10	10		JGCEMN
COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CCN(Cc1ccc(N3CCCC3)cc1)CC2	ZINC000014888360	521781399	/nfs/dbraw/zinc/78/13/99/521781399.db2.gz	CLMYMJJIRNLNAS-QHCPKHFHSA-N	0	1	495.620	3.241	10	10		JGCEMN
CCc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)C(=O)NC2=S)cc1	ZINC000006574128	554552083	/nfs/dbraw/zinc/55/20/83/554552083.db2.gz	ZLFLJGYUWNOTBV-LCYFTJDESA-N	0	1	452.273	3.278	10	10		JGCEMN