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)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C	ZINC000013507423	568482650	/nfs/dbraw/zinc/48/26/50/568482650.db2.gz	RPADDAUXKBBASM-JURCDPSOSA-N	0	2	406.395	-2.363	10	5		HABELN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@H](O)CO)c2cc1N(C)C	ZINC000035653108	569027807	/nfs/dbraw/zinc/02/78/07/569027807.db2.gz	IGQLDUYTWDABFK-NFAWXSAZSA-N	0	2	405.411	-1.966	10	5	in-vitro	HABELN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1N(C)C	ZINC000035653110	569046942	/nfs/dbraw/zinc/04/69/42/569046942.db2.gz	IGQLDUYTWDABFK-GZBFAFLISA-N	0	2	405.411	-1.966	10	5	in-vitro	HABELN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c2cc1N(C)C	ZINC000035653112	569027789	/nfs/dbraw/zinc/02/77/89/569027789.db2.gz	IGQLDUYTWDABFK-UMVBOHGHSA-N	0	2	405.411	-1.966	10	5	in-vitro	HABELN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1C	ZINC000253537589	559280629	/nfs/dbraw/zinc/28/06/29/559280629.db2.gz	RPADDAUXKBBASM-NEBZKDRISA-N	0	2	406.395	-1.950	10	5		HABELN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1C	ZINC000253537590	559280779	/nfs/dbraw/zinc/28/07/79/559280779.db2.gz	RPADDAUXKBBASM-NZBPQXDJSA-N	0	2	406.395	-1.950	10	5		HABELN