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(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3[O-])C2)C1	ZINC000514289510	560032490	/nfs/dbraw/zinc/03/24/90/560032490.db2.gz	MXYNAOOWISQNKZ-RBUKOAKNSA-N	-1	3	394.475	0.933	40	10	biogenic,in-vitro	GCCBHM
O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3[O-])C2)C1	ZINC000514289511	560032374	/nfs/dbraw/zinc/03/23/74/560032374.db2.gz	MXYNAOOWISQNKZ-RTBURBONSA-N	-1	3	394.475	0.933	40	10	biogenic,in-vitro	GCCBHM
COc1ccc(N2CCN(C(=O)CN3CCc4nc(C)[n-]c(=O)c4C3)CC2)cc1	ZINC000012113717	570609784	/nfs/dbraw/zinc/60/97/84/570609784.db2.gz	RNTUROHIBYFDPC-UHFFFAOYSA-N	-1	3	397.479	0.794	40	10		GCCBHM
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)CC3	ZINC000005734148	560202720	/nfs/dbraw/zinc/20/27/20/560202720.db2.gz	QHGFPRZWWKUHKF-OAQYLSRUSA-N	-1	3	398.367	0.663	40	10	in-vitro	GCCBHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(=O)CO)CC3	ZINC000005734148	560202721	/nfs/dbraw/zinc/20/27/21/560202721.db2.gz	QHGFPRZWWKUHKF-OAQYLSRUSA-N	-1	3	398.367	0.663	40	10	in-vitro	GCCBHM