smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccn([C@H]2C=C[C@@H](P(=O)([O-])[O-])O[C@H]2CO)c(=O)n1	ZINC000003626375	181042251	/nfs/dbraw/zinc/04/22/51/181042251.db2.gz	RIMWJMIMBQFXCD-ACLDMZEESA-N	-2	1	303.211	-1.182	1	0		DAAFML
Nc1nc2c(nnn2C[C@@H](CO)OCP(=O)([O-])[O-])c(N)n1	ZINC000003636957	181042717	/nfs/dbraw/zinc/04/27/17/181042717.db2.gz	VXDBQGLWQMDPCQ-BYPYZUCNSA-N	-2	1	319.218	-2.102	1	0		DAAFML
Nc1ncnc2nn(C[C@@H](CO)OCP(=O)([O-])[O-])nc21	ZINC000003636960	181042663	/nfs/dbraw/zinc/04/26/63/181042663.db2.gz	USXXJROTGMHYDG-YFKPBYRVSA-N	-2	1	304.203	-1.684	1	0		DAAFML
N[C@](CCCCC(=O)[O-])(N[C@H](CC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000049066747	183709904	/nfs/dbraw/zinc/70/99/04/183709904.db2.gz	XALBHBRHKSYKPD-KSBSHMNSSA-N	-4	1	306.271	-1.112	1	0		DAAFML
Nc1nc2nn(C[C@@H](CF)OCP(=O)([O-])[O-])nc2c(N)n1	ZINC000003636935	181042655	/nfs/dbraw/zinc/04/26/55/181042655.db2.gz	HRIDRTKXFONPOM-SCSAIBSYSA-N	-2	1	321.209	-1.124	1	0		DAAFML
NCC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000004899756	181169968	/nfs/dbraw/zinc/16/99/68/181169968.db2.gz	MPZCPLJCORMPJI-CSMHCCOUSA-N	-2	1	317.298	-2.659	1	0	in-vivo	DAAFML
C[C@@H](Cn1nc2nc(N)[nH]c(=O)c2n1)OCP(=O)([O-])[O-]	ZINC000003626596	181042402	/nfs/dbraw/zinc/04/24/02/181042402.db2.gz	IWBJWGPUBWGCDK-BYPYZUCNSA-N	-2	1	304.203	-1.363	1	0		DAAFML
Nc1nc2c(nnn2C[C@@H](CF)OCP(=O)([O-])[O-])c(N)n1	ZINC000003636938	181042647	/nfs/dbraw/zinc/04/26/47/181042647.db2.gz	BZVKDXBBAQWXEO-SCSAIBSYSA-N	-2	1	321.209	-1.124	1	0		DAAFML
C[C@H](Cn1nnc2c1nc(N)nc2N)OCP(=O)([O-])[O-]	ZINC000003636951	181042885	/nfs/dbraw/zinc/04/28/85/181042885.db2.gz	DKORZWSWXIJHMK-SCSAIBSYSA-N	-2	1	303.219	-1.074	1	0		DAAFML
Nc1nc2c(ncn2C[C@@H](O)COCP(=O)([O-])[O-])c(=O)[nH]1	ZINC000073219953	191294539	/nfs/dbraw/zinc/29/45/39/191294539.db2.gz	OGWFSFLFEFQHOH-RXMQYKEDSA-N	-2	1	319.214	-1.786	1	0		DAAFML
O=c1ccn([C@@H]2O[C@H](OCP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000073293048	191301076	/nfs/dbraw/zinc/30/10/76/191301076.db2.gz	WRHHYDLLFIODTO-CWKFCGSDSA-N	-2	1	324.182	-2.735	1	0		DAAFML
O=P([O-])([O-])OC[C@H]1O[C@@H](C[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000005829950	181287516	/nfs/dbraw/zinc/28/75/16/181287516.db2.gz	YBOWGOLYQKBCFB-JGWLITMVSA-N	-3	1	308.116	-2.237	1	0	in-vivo	DAAFML
O=C([O-])[C@H](O)CC[NH2+][C@H](CCN1CC[C@H]1C(=O)[O-])C(=O)[O-]	ZINC000071758291	257128024	/nfs/dbraw/zinc/12/80/24/257128024.db2.gz	CUZKLRTTYZOCSD-HRDYMLBCSA-N	-2	1	304.299	-1.586	1	0	endogenous,in-man	DAAFML
C[C@H](Cn1nnc2c1nc(N)[nH]c2=O)OCP(=O)([O-])[O-]	ZINC000003636947	181042849	/nfs/dbraw/zinc/04/28/49/181042849.db2.gz	BZEVAOVZVAWBDP-SCSAIBSYSA-N	-2	1	304.203	-1.363	1	0		DAAFML
C[C@H](Cn1nc2nc(N)[nH]c(=O)c2n1)OCP(=O)([O-])[O-]	ZINC000003636943	181042894	/nfs/dbraw/zinc/04/28/94/181042894.db2.gz	IWBJWGPUBWGCDK-SCSAIBSYSA-N	-2	1	304.203	-1.363	1	0		DAAFML
O=C([O-])[C@H](O)CC[NH2+][C@@H](CCN1CC[C@H]1C(=O)[O-])C(=O)[O-]	ZINC000071758292	304173683	/nfs/dbraw/zinc/17/36/83/304173683.db2.gz	CUZKLRTTYZOCSD-XHNCKOQMSA-N	-2	1	304.299	-1.586	1	0	endogenous,in-man	DAAFML
Nc1nc2c(ncn2C[C@H](O)COCP(=O)([O-])[O-])c(=O)[nH]1	ZINC000073219948	191294437	/nfs/dbraw/zinc/29/44/37/191294437.db2.gz	OGWFSFLFEFQHOH-YFKPBYRVSA-N	-2	1	319.214	-1.786	1	0		DAAFML
O=C([O-])[C@H](O)CC[NH2+][C@H](CCN1CC[C@@H]1C(=O)[O-])C(=O)[O-]	ZINC000014610454	304173807	/nfs/dbraw/zinc/17/38/07/304173807.db2.gz	CUZKLRTTYZOCSD-IWSPIJDZSA-N	-2	1	304.299	-1.586	1	0	endogenous,in-man	DAAFML
O=C([O-])[C@H](O)CC[NH2+][C@@H](CCN1CC[C@@H]1C(=O)[O-])C(=O)[O-]	ZINC000014610450	257133589	/nfs/dbraw/zinc/13/35/89/257133589.db2.gz	CUZKLRTTYZOCSD-DJLDLDEBSA-N	-2	1	304.299	-1.586	1	0	endogenous,in-man	DAAFML
C[C@@H](Cn1nnc2c1nc(N)[nH]c2=O)OCP(=O)([O-])[O-]	ZINC000003636945	181042939	/nfs/dbraw/zinc/04/29/39/181042939.db2.gz	BZEVAOVZVAWBDP-BYPYZUCNSA-N	-2	1	304.203	-1.363	1	0		DAAFML