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([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(C2CCC2)CC1	ZINC000217472375	582128002	/nfs/dbraw/zinc/12/80/02/582128002.db2.gz	QVJFUUQWOMPJIE-NWDGAFQWSA-N	-1	1	297.355	-0.204	20	70		CBIDMM
C[C@@H]1CC[C@@H](C(=O)NCCCc2nc(=O)[n-][nH]2)O1	ZINC000159842939	351966737	/nfs/dbraw/zinc/96/67/37/351966737.db2.gz	XFGWGKYHXGAKFJ-SFYZADRCSA-N	-1	1	254.290	-0.286	20	70		CBIDMM
O=C(NCCCc1nc(=O)[n-][nH]1)[C@@H]1CCCCO1	ZINC000159843383	351966613	/nfs/dbraw/zinc/96/66/13/351966613.db2.gz	UFLLRBVACIMSSL-QMMMGPOBSA-N	-1	1	254.290	-0.284	20	70		CBIDMM
C[C@H]1CC[C@H](C(=O)NCCCc2nc(=O)[n-][nH]2)O1	ZINC000159842837	351966617	/nfs/dbraw/zinc/96/66/17/351966617.db2.gz	XFGWGKYHXGAKFJ-JGVFFNPUSA-N	-1	1	254.290	-0.286	20	70		CBIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)CO)o1	ZINC000160514049	351970947	/nfs/dbraw/zinc/97/09/47/351970947.db2.gz	MFVGPXAOBLPOSD-SSDOTTSWSA-N	-1	1	276.314	-0.454	20	70		CBIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)CO)o1	ZINC000160552167	351971238	/nfs/dbraw/zinc/97/12/38/351971238.db2.gz	WOPPEZPVMUUSNF-SSDOTTSWSA-N	-1	1	276.314	-0.360	20	70		CBIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](C)CO)o1	ZINC000160513910	351971395	/nfs/dbraw/zinc/97/13/95/351971395.db2.gz	MFVGPXAOBLPOSD-ZETCQYMHSA-N	-1	1	276.314	-0.454	20	70		CBIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)CO)co1	ZINC000160683831	544476089	/nfs/dbraw/zinc/47/60/89/544476089.db2.gz	LSOOWSHZEWQUNL-UHFFFAOYSA-N	-1	1	290.341	-0.064	20	70		CBIDMM
C[C@@H]1CC[C@H](C(=O)NCCCc2nc(=O)[n-][nH]2)O1	ZINC000159842713	351966647	/nfs/dbraw/zinc/96/66/47/351966647.db2.gz	XFGWGKYHXGAKFJ-HTQZYQBOSA-N	-1	1	254.290	-0.286	20	70		CBIDMM
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCN(C2CCC2)CC1	ZINC000217472449	582128038	/nfs/dbraw/zinc/12/80/38/582128038.db2.gz	QVJFUUQWOMPJIE-VXGBXAGGSA-N	-1	1	297.355	-0.204	20	70		CBIDMM
O=C(NCCCc1nc(=O)[n-][nH]1)[C@H]1CCCCO1	ZINC000159843513	351966566	/nfs/dbraw/zinc/96/65/66/351966566.db2.gz	UFLLRBVACIMSSL-MRVPVSSYSA-N	-1	1	254.290	-0.284	20	70		CBIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)CO)o1	ZINC000160552065	351971519	/nfs/dbraw/zinc/97/15/19/351971519.db2.gz	WOPPEZPVMUUSNF-ZETCQYMHSA-N	-1	1	276.314	-0.360	20	70		CBIDMM
C[C@H]1CC[C@@H](C(=O)NCCCc2nc(=O)[n-][nH]2)O1	ZINC000159843018	351966486	/nfs/dbraw/zinc/96/64/86/351966486.db2.gz	XFGWGKYHXGAKFJ-YUMQZZPRSA-N	-1	1	254.290	-0.286	20	70		CBIDMM
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCN(C2CCC2)CC1	ZINC000217472288	582128066	/nfs/dbraw/zinc/12/80/66/582128066.db2.gz	QVJFUUQWOMPJIE-RYUDHWBXSA-N	-1	1	297.355	-0.204	20	70		CBIDMM