smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(=O)cc(C(=O)N2CCCn3nc(CO)cc3C2)n(C)c1=O	ZINC000217016622	241230682	/nfs/dbraw/zinc/23/06/82/241230682.db2.gz	IXGZEBGXYMATAW-UHFFFAOYSA-N	0	0	333.348	-1.181	50	70		EAIARN
Cn1cc(C(=O)N2CCn3nc([C@@H](O)CO)cc3C2)c(=O)[nH]c1=O	ZINC000217023311	241229897	/nfs/dbraw/zinc/22/98/97/241229897.db2.gz	SORVVCZPRHWINL-NSHDSACASA-N	0	0	335.320	-2.048	50	70		EAIARN
Cn1cc(C(=O)N2CCn3nc([C@H](O)CO)cc3C2)c(=O)[nH]c1=O	ZINC000217023354	241230990	/nfs/dbraw/zinc/23/09/90/241230990.db2.gz	SORVVCZPRHWINL-LLVKDONJSA-N	0	0	335.320	-2.048	50	70		EAIARN
CC(C)Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)[nH]c(=O)n1	ZINC000217026492	241232119	/nfs/dbraw/zinc/23/21/19/241232119.db2.gz	RXKCNUIQEVEMPM-GHMZBOCLSA-N	0	0	329.378	-1.144	50	70		EAIARN
Cc1cc(=O)n(CCN2CCn3nc([C@@H](O)CO)cc3C2)c(=O)[nH]1	ZINC000217038178	241232813	/nfs/dbraw/zinc/23/28/13/241232813.db2.gz	XAJXZAFMKSFLEA-ZDUSSCGKSA-N	0	0	335.364	-1.417	50	70		EAIARN
Cc1cc(=O)n(CCN2CCn3nc([C@H](O)CO)cc3C2)c(=O)[nH]1	ZINC000217038220	241232274	/nfs/dbraw/zinc/23/22/74/241232274.db2.gz	XAJXZAFMKSFLEA-CYBMUJFWSA-N	0	0	335.364	-1.417	50	70		EAIARN
Cc1cc(=O)n(CCN2CCCn3nc([C@@H](O)CO)cc3C2)c(=O)[nH]1	ZINC000217041918	241233206	/nfs/dbraw/zinc/23/32/06/241233206.db2.gz	JNKRTBQWKKNMHQ-AWEZNQCLSA-N	0	0	349.391	-1.027	50	70		EAIARN
Cc1cc(=O)n(CCN2CCCn3nc([C@H](O)CO)cc3C2)c(=O)[nH]1	ZINC000217041949	241233480	/nfs/dbraw/zinc/23/34/80/241233480.db2.gz	JNKRTBQWKKNMHQ-CQSZACIVSA-N	0	0	349.391	-1.027	50	70		EAIARN
COCCN(C)CC(=O)N1CCN(Cc2cn[nH]n2)C[C@@H](O)C1	ZINC000217067362	536774648	/nfs/dbraw/zinc/77/46/48/536774648.db2.gz	TZQFEOHHEQZHSP-CYBMUJFWSA-N	0	0	326.401	-1.612	50	70		EAIARN
Nc1nc(NCCO)cc(N2CCN(Cc3cn[nH]n3)C[C@@H](O)C2)n1	ZINC000217141261	375223552	/nfs/dbraw/zinc/22/35/52/375223552.db2.gz	NHPJMZNFFYDBOY-LLVKDONJSA-N	0	0	349.399	-1.736	50	70		EAIARN
Cn1cnnc1CN1CCN(c2nc(N)nc3nc[nH]c32)C[C@@H](O)C1	ZINC000217394127	241247111	/nfs/dbraw/zinc/24/71/11/241247111.db2.gz	HOTHOUPCLZVNPA-VIFPVBQESA-N	0	0	344.383	-1.253	50	70		EAIARN
O=c1[nH]cc(S(=O)(=O)N2CCCn3nc(CO)cc3C2)c(=O)[nH]1	ZINC000217406214	304814719	/nfs/dbraw/zinc/81/47/19/304814719.db2.gz	MISDDACNAQYNCN-UHFFFAOYSA-N	0	0	341.349	-1.653	50	70		EAIARN
O=C(Cn1ccc(=O)[nH]c1=O)N1CCCn2nc([C@@H](O)CO)cc2C1	ZINC000217441322	241251431	/nfs/dbraw/zinc/25/14/31/241251431.db2.gz	MGCBLFTULVFMLF-LBPRGKRZSA-N	0	0	349.347	-1.809	50	70		EAIARN
O=C(Cn1ccc(=O)[nH]c1=O)N1CCCn2nc([C@H](O)CO)cc2C1	ZINC000217441397	241251154	/nfs/dbraw/zinc/25/11/54/241251154.db2.gz	MGCBLFTULVFMLF-GFCCVEGCSA-N	0	0	349.347	-1.809	50	70		EAIARN
O=C(NCCn1nc(-n2cncn2)ccc1=O)c1ccc(=O)[nH]n1	ZINC000217548775	241256982	/nfs/dbraw/zinc/25/69/82/241256982.db2.gz	JEVRRLWTBQTJAZ-UHFFFAOYSA-N	0	0	328.292	-1.663	50	70		EAIARN
CS(=O)(=O)CCN1CCN(c2ncccc2C(N)=O)C[C@@H](O)C1	ZINC000217600655	241262897	/nfs/dbraw/zinc/26/28/97/241262897.db2.gz	JIKQAOOXZLVXOI-NSHDSACASA-N	0	0	342.421	-1.292	50	70		EAIARN
O=c1[nH]cc(S(=O)(=O)N2CCn3nc(CO)cc3C2)c(=O)[nH]1	ZINC000217695254	241269685	/nfs/dbraw/zinc/26/96/85/241269685.db2.gz	CSWHVIPSFVSDIG-UHFFFAOYSA-N	0	0	327.322	-2.044	50	70		EAIARN
Cc1cn(CC(=O)N2CCCn3nc(CO)cc3C2)c(=O)[nH]c1=O	ZINC000217720716	241271008	/nfs/dbraw/zinc/27/10/08/241271008.db2.gz	ZNWPFZMSWVWDOX-UHFFFAOYSA-N	0	0	333.348	-1.034	50	70		EAIARN
Cc1onc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(C)(=O)=O)c1CO	ZINC000218325839	241315255	/nfs/dbraw/zinc/31/52/55/241315255.db2.gz	UHSPLHMOUCIUQF-OAIFWDMCSA-N	0	0	345.377	-1.090	50	70		EAIARN
O=C(Cn1cnnn1)N1CCN(c2cc(-n3cncn3)ncn2)CC1	ZINC000218637544	375228143	/nfs/dbraw/zinc/22/81/43/375228143.db2.gz	RRLQLOHPNSNQNQ-UHFFFAOYSA-N	0	0	341.339	-1.607	50	70		EAIARN
Cc1c(C(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)cnc2cc(=O)[nH]n21	ZINC000218676930	241337420	/nfs/dbraw/zinc/33/74/20/241337420.db2.gz	BBQOXHJFPFZZKY-MNOVXSKESA-N	0	0	349.347	-1.280	50	70		EAIARN
Cc1nnnn1CC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NS(C)(=O)=O	ZINC000218738497	241342125	/nfs/dbraw/zinc/34/21/25/241342125.db2.gz	HMEAZXHUKGAINT-APHKKCJPSA-N	0	0	330.370	-2.197	50	70		EAIARN
NC(=O)COc1ccc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)cc1	ZINC000218760596	241343168	/nfs/dbraw/zinc/34/31/68/241343168.db2.gz	URXMOEITBMXNMH-VXGBXAGGSA-N	0	0	330.362	-1.021	50	70		EAIARN