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)CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000085544465	553683546	/nfs/dbraw/zinc/68/35/46/553683546.db2.gz	RTZIINXZEQBCIF-YQMHAVPBSA-N	0	2	690.714	1.072	40	5		KDBBLN
C[C@H](NC(=O)CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000085544465	553683542	/nfs/dbraw/zinc/68/35/42/553683542.db2.gz	RTZIINXZEQBCIF-YQMHAVPBSA-N	0	2	690.714	1.072	40	5		KDBBLN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)c1	ZINC000138963860	571452639	/nfs/dbraw/zinc/45/26/39/571452639.db2.gz	AIRHPYLQHWDVDV-GFCCVEGCSA-N	0	2	501.408	1.187	40	5		KDBBLN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)c1	ZINC000138963963	571452618	/nfs/dbraw/zinc/45/26/18/571452618.db2.gz	AIRHPYLQHWDVDV-LBPRGKRZSA-N	0	2	501.408	1.187	40	5		KDBBLN
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408652216	572303735	/nfs/dbraw/zinc/30/37/35/572303735.db2.gz	FWVZTFYXEMOZJD-INIZCTEOSA-N	0	2	512.475	1.837	40	5		KDBBLN
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408652217	572303714	/nfs/dbraw/zinc/30/37/14/572303714.db2.gz	FWVZTFYXEMOZJD-MRXNPFEDSA-N	0	2	512.475	1.837	40	5		KDBBLN