smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c(=S)[nH]c(O)c1C(c1ccc(O)cc1)c1c(O)[nH]c(=S)[nH]c1=O	ZINC000001863757	206393861	/nfs/dbraw/zinc/39/38/61/206393861.db2.gz	YMWCMYBYSFQCRE-UHFFFAOYSA-N	0	2	392.418	-1.230	1	0		GAAFLN
[NH3+]CC(=O)N[C@@H](CCC[C@H](NC(=O)C[NH3+])[P@](=O)([O-])O)P(=O)([O-])O	ZINC000005887579	204155477	/nfs/dbraw/zinc/15/54/77/204155477.db2.gz	HZLIYXKJDMAPBT-RKDXNWHRSA-N	0	2	376.243	-2.686	1	0		GAAFLN
[NH3+]CC(=O)N[C@@H](CCC[C@H](NC(=O)C[NH3+])[P@@](=O)([O-])O)P(=O)([O-])O	ZINC000005887579	204155473	/nfs/dbraw/zinc/15/54/73/204155473.db2.gz	HZLIYXKJDMAPBT-RKDXNWHRSA-N	0	2	376.243	-2.686	1	0		GAAFLN
N=C1N2CCC(O)(O)[C@]23NC(=[NH2+])N[C@H]3[C@H](COC(=O)NS(=O)(=O)[O-])N1O	ZINC000014691900	291092627	/nfs/dbraw/zinc/09/26/27/291092627.db2.gz	ALRRPAKWGUBPBK-PVJDKPRJSA-N	0	2	395.354	-3.897	1	0	endogenous,in-man	GAAFLN
[NH3+]CC(=O)N[C@@H](CCC[C@@H](NC(=O)C[NH3+])[P@](=O)([O-])O)P(=O)([O-])O	ZINC000017194482	207086254	/nfs/dbraw/zinc/08/62/54/207086254.db2.gz	HZLIYXKJDMAPBT-DTORHVGOSA-N	0	2	376.243	-2.686	1	0		GAAFLN
[NH3+]CC(=O)N[C@@H](CCC[C@@H](NC(=O)C[NH3+])[P@@](=O)([O-])O)P(=O)([O-])O	ZINC000017194482	207086250	/nfs/dbraw/zinc/08/62/50/207086250.db2.gz	HZLIYXKJDMAPBT-DTORHVGOSA-N	0	2	376.243	-2.686	1	0		GAAFLN
[NH3+]CC(=O)N[C@@H](CCC[C@@H](NC(=O)C[NH3+])P(=O)([O-])O)[P@](=O)([O-])O	ZINC000017194482	207086246	/nfs/dbraw/zinc/08/62/46/207086246.db2.gz	HZLIYXKJDMAPBT-DTORHVGOSA-N	0	2	376.243	-2.686	1	0		GAAFLN
[NH3+]CC(=O)N[C@@H](CCC[C@@H](NC(=O)C[NH3+])P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000017194482	207086242	/nfs/dbraw/zinc/08/62/42/207086242.db2.gz	HZLIYXKJDMAPBT-DTORHVGOSA-N	0	2	376.243	-2.686	1	0		GAAFLN
CCC[C@@H]1C(=O)N(CS(=O)(=O)N[C@@H](CO)C(=O)OC)S(=O)(=O)N1C	ZINC000029133051	207358652	/nfs/dbraw/zinc/35/86/52/207358652.db2.gz	KRRLRSWUESAQKC-DTWKUNHWSA-N	0	2	387.436	-2.415	1	0		GAAFLN
N=C1N2CCC(O)(O)[C@]23NC(=[NH2+])N[C@@H]3[C@@H](COC(=O)NS(=O)(=O)[O-])N1O	ZINC000085847752	291092648	/nfs/dbraw/zinc/09/26/48/291092648.db2.gz	ALRRPAKWGUBPBK-FJNYAOGASA-N	0	2	395.354	-3.897	1	0	endogenous,in-man	GAAFLN
N=C1N2CCC(O)(O)[C@]23NC(=[NH2+])N[C@@H]3[C@H](COC(=O)NS(=O)(=O)[O-])N1O	ZINC000196380560	560044535	/nfs/dbraw/zinc/04/45/35/560044535.db2.gz	ALRRPAKWGUBPBK-LBACSGLVSA-N	0	2	395.354	-4.107	1	0	endogenous,in-man	GAAFLN