smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(S(=O)(=O)F)c1	ZINC001164718916	720207038	/nfs/dbraw/zinc/20/70/38/720207038.db2.gz	OWOFVIMDAPWJEY-INIZCTEOSA-N	1	0	482.538	0.871	20	70		JCIDRO
COC(=O)c1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(S(=O)(=O)F)c1	ZINC001164718917	720207416	/nfs/dbraw/zinc/20/74/16/720207416.db2.gz	OWOFVIMDAPWJEY-MRXNPFEDSA-N	1	0	482.538	0.871	20	70		JCIDRO
COC(=O)c1cnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c(S(=O)(=O)F)c1	ZINC001164753744	720969411	/nfs/dbraw/zinc/96/94/11/720969411.db2.gz	JJUYEMRUPSWZSC-UHFFFAOYSA-N	1	0	455.468	0.369	20	70		JCIDRO
COC(=O)c1cnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c(S(=O)(=O)F)c1	ZINC001164794365	721522454	/nfs/dbraw/zinc/52/24/54/721522454.db2.gz	CDKMZDCDSZKWTQ-UHFFFAOYSA-N	1	0	452.512	0.491	20	70		JCIDRO