smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O	ZINC000006090935	181070954	/nfs/dbraw/zinc/07/09/54/181070954.db2.gz	NAYWDPCVMGTHMW-RRKCRQDMSA-N	-1	3	241.178	-1.152	1	30		BAEFHM
O=C(N[O-])[C@H](OCCO)n1ccc(=O)[nH]c1=O	ZINC000029559207	182279088	/nfs/dbraw/zinc/27/90/88/182279088.db2.gz	WAIKHPMCCXSNKO-ZETCQYMHSA-N	-1	3	245.191	-2.451	1	30		BAEFHM
O=C(N[O-])[C@@H](OCCO)n1ccc(=O)[nH]c1=O	ZINC000029559210	182279168	/nfs/dbraw/zinc/27/91/68/182279168.db2.gz	WAIKHPMCCXSNKO-SSDOTTSWSA-N	-1	3	245.191	-2.451	1	30		BAEFHM
C[C@@H](O)[C@H](NC(=O)[C@@H](N)CS)C(=O)[O-]	ZINC000040439573	571761433	/nfs/dbraw/zinc/76/14/33/571761433.db2.gz	WYVKPHCYMTWUCW-WISUUJSJSA-N	-1	3	222.266	-1.806	1	30	endogenous,in-vitro	BAEFHM
C[C@@H](O)[C@H](NC(=O)[C@H](N)CS)C(=O)[O-]	ZINC000050027522	574415050	/nfs/dbraw/zinc/41/50/50/574415050.db2.gz	WYVKPHCYMTWUCW-WDCZJNDASA-N	-1	3	222.266	-1.806	1	30	endogenous,in-man	BAEFHM
C[C@@H](O)[C@@H](NC(=O)[C@H](N)CS)C(=O)[O-]	ZINC000056634882	574415283	/nfs/dbraw/zinc/41/52/83/574415283.db2.gz	WYVKPHCYMTWUCW-UOWFLXDJSA-N	-1	3	222.266	-1.806	1	30	endogenous,in-man	BAEFHM
C[C@@H](O)[C@@H](NC(=O)[C@@H](N)CS)C(=O)[O-]	ZINC000069485793	574048907	/nfs/dbraw/zinc/04/89/07/574048907.db2.gz	WYVKPHCYMTWUCW-MROZADKFSA-N	-1	3	222.266	-1.806	1	30	endogenous,in-vitro	BAEFHM
NCC(=O)N[C@H]1CC(=O)N(CC(=O)N[O-])C1=O	ZINC000073225013	181355988	/nfs/dbraw/zinc/35/59/88/181355988.db2.gz	NGXIKQAPRWGGTP-BYPYZUCNSA-N	-1	3	244.207	-3.306	1	30		BAEFHM
N[C@H](CS)C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000095617704	574416982	/nfs/dbraw/zinc/41/69/82/574416982.db2.gz	JQNFSWJEERESHM-JKUQZMGJSA-N	-1	3	234.277	-1.710	1	30	endogenous,in-man	BAEFHM
N[C@H](CS)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000095617705	574417023	/nfs/dbraw/zinc/41/70/23/574417023.db2.gz	JQNFSWJEERESHM-PBXRRBTRSA-N	-1	3	234.277	-1.710	1	30	endogenous,in-man	BAEFHM
N[C@H](CS)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617706	574417001	/nfs/dbraw/zinc/41/70/01/574417001.db2.gz	JQNFSWJEERESHM-KVQBGUIXSA-N	-1	3	234.277	-1.710	1	30	endogenous,in-man	BAEFHM
N[C@H](CS)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617707	574417031	/nfs/dbraw/zinc/41/70/31/574417031.db2.gz	JQNFSWJEERESHM-HSUXUTPPSA-N	-1	3	234.277	-1.710	1	30	endogenous,in-man	BAEFHM
NC(=O)CC(NC(=O)[C@@H](N)CS)C(=O)[O-]	ZINC000100386247	574417474	/nfs/dbraw/zinc/41/74/74/574417474.db2.gz	CNYPJKDWERAZEY-VKHMYHEASA-N	-1	3	235.265	-1.480	1	30	endogenous,in-vitro	BAEFHM
NC(=O)CC(NC(=O)[C@H](N)CS)C(=O)[O-]	ZINC000100386250	574417458	/nfs/dbraw/zinc/41/74/58/574417458.db2.gz	CNYPJKDWERAZEY-GSVOUGTGSA-N	-1	3	235.265	-1.480	1	30	endogenous,in-vitro	BAEFHM
NC(=O)CCC(NC(=O)[C@@H](N)CS)C(=O)[O-]	ZINC000100386264	574417502	/nfs/dbraw/zinc/41/75/02/574417502.db2.gz	LBEUKRMOLBEDIE-BYPYZUCNSA-N	-1	3	249.292	-1.090	1	30	endogenous,in-vitro	BAEFHM
NC(=O)CCC(NC(=O)[C@H](N)CS)C(=O)[O-]	ZINC000100386268	574417518	/nfs/dbraw/zinc/41/75/18/574417518.db2.gz	LBEUKRMOLBEDIE-SCSAIBSYSA-N	-1	3	249.292	-1.090	1	30	endogenous,in-vitro	BAEFHM
N[C@@H](CS)C(=O)NC(CO)C(=O)[O-]	ZINC000100386334	574417516	/nfs/dbraw/zinc/41/75/16/574417516.db2.gz	FXPPVXWGRYVLBS-VKHMYHEASA-N	-1	3	208.239	-1.363	1	30	endogenous,in-vitro	BAEFHM
N[C@H](CS)C(=O)NC(CO)C(=O)[O-]	ZINC000100386339	574417500	/nfs/dbraw/zinc/41/75/00/574417500.db2.gz	FXPPVXWGRYVLBS-GSVOUGTGSA-N	-1	3	208.239	-1.363	1	30	endogenous,in-vitro	BAEFHM
NC(=O)CC[C@@H](N)C(=O)NC(CS)C(=O)[O-]	ZINC000100386409	574417574	/nfs/dbraw/zinc/41/75/74/574417574.db2.gz	UPRCCEPVIKEXTJ-SCSAIBSYSA-N	-1	3	249.292	-1.090	1	30	endogenous,in-vitro	BAEFHM
NC(=O)CC[C@H](N)C(=O)NC(CS)C(=O)[O-]	ZINC000100386413	574417550	/nfs/dbraw/zinc/41/75/50/574417550.db2.gz	UPRCCEPVIKEXTJ-BYPYZUCNSA-N	-1	3	249.292	-1.090	1	30	endogenous,in-vitro	BAEFHM
N[C@@H](CS)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000100770932	571813635	/nfs/dbraw/zinc/81/36/35/571813635.db2.gz	JQNFSWJEERESHM-HCWXCVPCSA-N	-1	3	234.277	-1.710	1	30	endogenous,in-vitro	BAEFHM
N[C@@H](CS)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000100770935	571813752	/nfs/dbraw/zinc/81/37/52/571813752.db2.gz	JQNFSWJEERESHM-NGJCXOISSA-N	-1	3	234.277	-1.710	1	30	endogenous,in-vitro	BAEFHM
C=C1O[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@H](O)[C@@H]1O	ZINC000169321429	187226627	/nfs/dbraw/zinc/22/66/27/187226627.db2.gz	NALWIILQXSLCFE-ATRFCDNQSA-N	-1	3	244.178	-1.560	1	30		BAEFHM