smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(ncn2CCCC[P@](=O)([O-])CP(=O)([O-])[O-])c(=O)[nH]1	ZINC000001533469	204011628	/nfs/dbraw/zinc/01/16/28/204011628.db2.gz	RVYGISYXHVZBBV-UHFFFAOYSA-N	-3	3	365.223	-0.112	1	0		FBAFHL
COC[C@H]([NH2+]Cc1c(COP(=O)([O-])[O-])cnc(C)c1[O-])C(=O)[O-]	ZINC000002047394	560186375	/nfs/dbraw/zinc/18/63/75/560186375.db2.gz	DEHSEGNQBACQEW-JTQLQIEISA-N	-3	3	350.264	-0.106	1	0	in-vitro	FBAFHL
Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+][C@H](C(=O)[O-])[C@H](C)O)c1[O-]	ZINC000002047762	210151107	/nfs/dbraw/zinc/15/11/07/210151107.db2.gz	IZWQBQLGLAKRMN-XVKPBYJWSA-N	-3	3	350.264	-0.371	1	0	in-vivo	FBAFHL
N[C@@H](Cn1cc(F)c(=O)n(Cc2ccccc2C(=O)[O-])c1=O)C(=O)[O-]	ZINC000035323944	581101049	/nfs/dbraw/zinc/10/10/49/581101049.db2.gz	IGJMSGMPZLVKKS-NSHDSACASA-N	-2	3	351.290	-0.693	1	0		FBAFHL
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000039796946	208214492	/nfs/dbraw/zinc/21/44/92/208214492.db2.gz	PDQDCFBVYXEFSD-SRVKXCTJSA-N	-2	3	359.423	-0.065	1	0	in-vitro	FBAFHL
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000039831791	205048181	/nfs/dbraw/zinc/04/81/81/205048181.db2.gz	UJGRZQYSNYTCAX-SRVKXCTJSA-N	-2	3	359.423	-0.065	1	0		FBAFHL
O=C1N[C@H]2[C@@H]3O[P@](=O)([O-])O[C@@H]3[C@@H](O)C[C@@H]2c2cc3c(c([O-])c21)OCO3	ZINC000040425185	205070528	/nfs/dbraw/zinc/07/05/28/205070528.db2.gz	PRXQHOXUYJMARM-HRQCSNBYSA-N	-2	3	371.238	-0.035	1	0		FBAFHL
O=P([O-])([O-])C(O)(C[n+]1cccc(Br)c1)P(=O)([O-])[O-]	ZINC000040762415	205081216	/nfs/dbraw/zinc/08/12/16/205081216.db2.gz	DAGCLYYZRVQIAU-UHFFFAOYSA-O	-3	3	363.017	-0.262	1	0		FBAFHL
Cc1nonc1CN(C)CCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000049070913	221019627	/nfs/dbraw/zinc/01/96/27/221019627.db2.gz	XEXHDPQJDFLZDC-UHFFFAOYSA-N	-4	3	359.212	-0.408	1	0		FBAFHL
Cc1cn(C[C@@H](N)C(=O)[O-])c(=O)n(Cc2ccsc2C(=O)[O-])c1=O	ZINC000078938259	525910201	/nfs/dbraw/zinc/91/02/01/525910201.db2.gz	ZTAZUCRXCRXNSU-SECBINFHSA-N	-2	3	353.356	-0.462	1	0	in-vitro	FBAFHL
CCOC(=O)CN(CCn1cnc2c1nc[nH]c2=O)CCP(=O)([O-])[O-]	ZINC000095580453	209082107	/nfs/dbraw/zinc/08/21/07/209082107.db2.gz	AUDPLIWGHONCIY-UHFFFAOYSA-N	-2	3	373.306	-0.838	1	0		FBAFHL
O=c1[n-]c(Cl)nc2c(C[NH2+][C@H](CO)COP(=O)([O-])[O-])c[nH]c21	ZINC000096282352	222109676	/nfs/dbraw/zinc/10/96/76/222109676.db2.gz	WFCRTCKNZVVKDZ-ZCFIWIBFSA-N	-2	3	352.671	-0.536	1	0		FBAFHL
O=c1[n-]c(Cl)nc2c(CN[C@H](CO)COP(=O)([O-])[O-])c[nH]c21	ZINC000096282352	222109673	/nfs/dbraw/zinc/10/96/73/222109673.db2.gz	WFCRTCKNZVVKDZ-ZCFIWIBFSA-N	-3	3	352.671	-0.536	1	0		FBAFHL
Nc1nc2c(CN[C@H](CO)CC(F)(F)P(=O)([O-])[O-])c[nH]c2c(=O)[nH]1	ZINC000096282354	209150916	/nfs/dbraw/zinc/15/09/16/209150916.db2.gz	HISWTSYHYJPYCS-LURJTMIESA-N	-2	3	367.249	-0.556	1	0		FBAFHL
O=c1[nH]cnc2c(CN[C@H](CO)CC(F)(F)P(=O)([O-])[O-])c[nH]c21	ZINC000096282355	222109827	/nfs/dbraw/zinc/10/98/27/222109827.db2.gz	OSLYGQAMRJVANH-ZETCQYMHSA-N	-2	3	352.234	-0.138	1	0		FBAFHL