smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](CCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC2)cc1	ZINC000781966808	1068302597	/nfs/dbraw/zinc/30/25/97/1068302597.db2.gz	XXINYLQEVHWJEF-AWEZNQCLSA-N	1	2	427.527	-1.273	20	10		IACDLO
COc1ccc(N2CC[NH+](CCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC2)cc1	ZINC000781966809	1068302868	/nfs/dbraw/zinc/30/28/68/1068302868.db2.gz	XXINYLQEVHWJEF-CQSZACIVSA-N	1	2	427.527	-1.273	20	10		IACDLO
COc1ccc(N2CC[NH+](CCNC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)CC2)cc1	ZINC000803750748	1068274760	/nfs/dbraw/zinc/27/47/60/1068274760.db2.gz	ODQQWHIPVJXOCD-KRWDZBQOSA-N	1	2	439.538	-1.177	20	10		IACDLO
COc1ccc(N2CC[NH+](CCNC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)CC2)cc1	ZINC000803750749	1068274942	/nfs/dbraw/zinc/27/49/42/1068274942.db2.gz	ODQQWHIPVJXOCD-QGZVFWFLSA-N	1	2	439.538	-1.177	20	10		IACDLO
CNC(=O)[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCO1	ZINC000803753114	1068274890	/nfs/dbraw/zinc/27/48/90/1068274890.db2.gz	WNZGEEYLUKUDSB-GOSISDBHSA-N	1	2	433.509	-1.093	20	10		IACDLO
CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCO1	ZINC000803753122	1068274861	/nfs/dbraw/zinc/27/48/61/1068274861.db2.gz	WNZGEEYLUKUDSB-SFHVURJKSA-N	1	2	433.509	-1.093	20	10		IACDLO