smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C	ZINC000013507423	568482649	/nfs/dbraw/zinc/48/26/49/568482649.db2.gz	RPADDAUXKBBASM-JURCDPSOSA-N	-1	0	406.395	-2.363	10	5		HABERM
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000013513635	560218060	/nfs/dbraw/zinc/21/80/60/560218060.db2.gz	UGJNMWVITHXKNR-DHGKCCLASA-N	-1	0	422.368	-1.256	10	5	in-vitro	HABERM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@H](O)CO)c2cc1N(C)C	ZINC000035653108	569027806	/nfs/dbraw/zinc/02/78/06/569027806.db2.gz	IGQLDUYTWDABFK-NFAWXSAZSA-N	-1	0	405.411	-1.966	10	5	in-vitro	HABERM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1N(C)C	ZINC000035653110	569046941	/nfs/dbraw/zinc/04/69/41/569046941.db2.gz	IGQLDUYTWDABFK-GZBFAFLISA-N	-1	0	405.411	-1.966	10	5	in-vitro	HABERM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c2cc1N(C)C	ZINC000035653112	569027788	/nfs/dbraw/zinc/02/77/88/569027788.db2.gz	IGQLDUYTWDABFK-UMVBOHGHSA-N	-1	0	405.411	-1.966	10	5	in-vitro	HABERM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1C	ZINC000253537590	559280778	/nfs/dbraw/zinc/28/07/78/559280778.db2.gz	RPADDAUXKBBASM-NZBPQXDJSA-N	-1	0	406.395	-1.950	10	5		HABERM