smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2ncc3nc(-c4cccc(C#N)c4)c(=O)n(CCC#N)c3n2)CC1	ZINC000004239057	132273548	/nfs/dbraw/zinc/27/35/48/132273548.db2.gz	NVQXCCJACMJGKX-UHFFFAOYSA-N	1	1	400.446	1.391	1	30		HDEFMO
C=CC1=C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CC[N@@H+](C)CC[C@@H](OC1=O)C2=O	ZINC000004098640	291188404	/nfs/dbraw/zinc/18/84/04/291188404.db2.gz	LIEIOJNANXUNDT-XEUSKNNYSA-N	1	1	405.447	1.356	1	30	biogenic,in-vitro	HDEFMO
C=CC1=C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CC[N@H+](C)CC[C@@H](OC1=O)C2=O	ZINC000004098640	291188407	/nfs/dbraw/zinc/18/84/07/291188407.db2.gz	LIEIOJNANXUNDT-XEUSKNNYSA-N	1	1	405.447	1.356	1	30	biogenic,in-vitro	HDEFMO
C[NH+]1CCN(c2ncc3nc(CCc4ccccc4)c(=O)n(CCC#N)c3n2)CC1	ZINC000004238463	132273345	/nfs/dbraw/zinc/27/33/45/132273345.db2.gz	ZLLPURSCEJKCNE-UHFFFAOYSA-N	1	1	403.490	1.637	1	30		HDEFMO
N#Cc1cnc(Nc2cc(N3CC[NH+](CCN4CCOCC4)CC3)ncn2)s1	ZINC000028569958	581096689	/nfs/dbraw/zinc/09/66/89/581096689.db2.gz	YOARXMDDBVYHOA-UHFFFAOYSA-N	1	1	400.512	1.003	1	30		HDEFMO
COCCn1c2nc(N3CC[NH+](C)CC3)ncc2nc(-c2cccc(C#N)c2)c1=O	ZINC000004239041	132273598	/nfs/dbraw/zinc/27/35/98/132273598.db2.gz	PNMCTSHRSNGWTR-UHFFFAOYSA-N	1	1	405.462	1.123	1	30		HDEFMO
C[NH+]1CCN(c2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(CCC#N)c3n2)CC1	ZINC000004238991	536426416	/nfs/dbraw/zinc/42/64/16/536426416.db2.gz	SISBLAFYRINPLK-UHFFFAOYSA-N	1	1	411.416	1.797	1	30		HDEFMO
COc1ccc(-c2nc3cnc(N4CC[NH+](C)CC4)nc3n(CCC#N)c2=O)cc1	ZINC000004238298	132273408	/nfs/dbraw/zinc/27/34/08/132273408.db2.gz	USJIODRRONGRON-UHFFFAOYSA-N	1	1	405.462	1.528	1	30		HDEFMO