smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H]1CC[N@H+](C)[C@H](Nc2c3ccccc3[nH]c(=O)c2-c2nc3ccccc3[nH]2)C1	ZINC000040953101	581099170	/nfs/dbraw/zinc/09/91/70/581099170.db2.gz	TVMVUMUJXVSING-QRWLVFNGSA-N	-1	2	401.514	4.561	1	0		HJAFLM
CC[C@@H]1CC[N@H+](C)[C@@H](Nc2c3ccccc3[nH]c(=O)c2-c2nc3ccccc3[nH]2)C1	ZINC000052783841	581099222	/nfs/dbraw/zinc/09/92/22/581099222.db2.gz	TVMVUMUJXVSING-FOIQADDNSA-N	-1	2	401.514	4.561	1	0		HJAFLM
CC[C@H]1CC[N@H+](C)[C@H](Nc2c3ccccc3[nH]c(=O)c2-c2nc3ccccc3[nH]2)C1	ZINC000040953103	581099073	/nfs/dbraw/zinc/09/90/73/581099073.db2.gz	TVMVUMUJXVSING-YWZLYKJASA-N	-1	2	401.514	4.561	1	0		HJAFLM
O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1C(F)=C1CCCCC1	ZINC000013824718	581099747	/nfs/dbraw/zinc/09/97/47/581099747.db2.gz	CPGOAJGOPMOMRT-KGLIPLIRSA-N	-1	2	421.292	4.604	1	0		HJAFLM
O=C([O-])C[C@H](O)C[C@@H](O)COc1c(Cl)cc(Cl)cc1C(F)=C1CCCCC1	ZINC000026743754	581099760	/nfs/dbraw/zinc/09/97/60/581099760.db2.gz	CPGOAJGOPMOMRT-ZIAGYGMSSA-N	-1	2	421.292	4.604	1	0		HJAFLM
CC[C@H]1CC[N@H+](C)[C@@H](Nc2c3ccccc3[nH]c(=O)c2-c2nc3ccccc3[nH]2)C1	ZINC000169291273	581099190	/nfs/dbraw/zinc/09/91/90/581099190.db2.gz	TVMVUMUJXVSING-MGPUTAFESA-N	-1	2	401.514	4.561	1	0		HJAFLM