smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1ccc2c(c1)CCC2)C(C(=S)NCCN1CCOCC1)[n+]1ccc(Cc2ccccc2)cc1	ZINC000022694742	1066491541	/nfs/dbraw/zinc/49/15/41/1066491541.db2.gz	BUFQRJJASKJOMM-UHFFFAOYSA-O	1	0	500.688	3.914	20	30		KHEDRO
CCOc1ccc(CN(CCC[NH+](C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OCC	ZINC000514388004	1066425954	/nfs/dbraw/zinc/42/59/54/1066425954.db2.gz	LKQQQWLSINHOSV-UHFFFAOYSA-N	1	0	556.729	3.737	20	30		KHEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1	ZINC000514391647	1066443428	/nfs/dbraw/zinc/44/34/28/1066443428.db2.gz	OATTXMNIOIJORK-UHFFFAOYSA-N	1	0	534.752	3.562	20	30		KHEDRO
C[NH+](C)CCCn1c(SC[C@@H](O)COc2ccc(CC#N)cc2)nc2sc3c(c2c1=O)CCCC3	ZINC000514401256	1066449908	/nfs/dbraw/zinc/44/99/08/1066449908.db2.gz	QVGPWIKYXHIQFH-IBGZPJMESA-N	1	0	512.701	3.887	20	30		KHEDRO
C[NH+](C)CCCn1c(SC[C@H](O)COc2ccc(CC#N)cc2)nc2sc3c(c2c1=O)CCCC3	ZINC000514401257	1066450027	/nfs/dbraw/zinc/45/00/27/1066450027.db2.gz	QVGPWIKYXHIQFH-LJQANCHMSA-N	1	0	512.701	3.887	20	30		KHEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1	ZINC000514403320	1066456245	/nfs/dbraw/zinc/45/62/45/1066456245.db2.gz	SSIABFIBJYBXGK-UHFFFAOYSA-N	1	0	511.692	3.942	20	30		KHEDRO
N#Cc1cc2c(nc1-n1ccc3c1ncnc3N1CCC([NH3+])(Cc3ccc(Cl)cc3)CC1)CCOC2	ZINC001159554256	1066861594	/nfs/dbraw/zinc/86/15/94/1066861594.db2.gz	GBDPRBSHXLDASI-UHFFFAOYSA-N	1	0	500.006	3.954	20	30		KHEDRO