smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c2ccoc2c(NS(=O)(=O)c2ccc(Cl)cc2)c(O)c1C(=O)[O-]	ZINC000064521302	205190243	/nfs/dbraw/zinc/19/02/43/205190243.db2.gz	JIJRXSGPUHNUQC-UHFFFAOYSA-N	-1	2	397.792	3.299	1	0		GGAFLM
COc1cc2c(cc1O[P@@](=O)([O-])O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21	ZINC000028870295	207349054	/nfs/dbraw/zinc/34/90/54/207349054.db2.gz	DHEVNSPRWMAORF-SSTWWWIQSA-N	-1	2	382.393	3.384	1	0		GGAFLM
COc1cc2c(cc1O[P@](=O)([O-])O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21	ZINC000028870295	207349059	/nfs/dbraw/zinc/34/90/59/207349059.db2.gz	DHEVNSPRWMAORF-SSTWWWIQSA-N	-1	2	382.393	3.384	1	0		GGAFLM
COc1c(Cl)cc(Cl)c(O)c1C(=O)NC[C@@H]1CCC[N@H+]1CCC[18F]	ZINC000101442774	208394126	/nfs/dbraw/zinc/39/41/26/208394126.db2.gz	LCYSGPSKMAMCSO-AADSUZOKSA-N	-1	2	378.262	3.261	1	0		GGAFLM
O=S(=O)(Nc1nnc2n1-c1ccccc1CC2)c1ccc(Cl)cc1[S-]	ZINC000005889595	204156095	/nfs/dbraw/zinc/15/60/95/204156095.db2.gz	UTJWPBZLYLTSNN-UHFFFAOYSA-N	-1	2	392.893	3.109	1	0		GGAFLM
CC(C)Cn1c(-c2ccc([P@@](=O)([O-])O)o2)nc2c1c(C1CC1)cc(F)c2N	ZINC000045258256	205093687	/nfs/dbraw/zinc/09/36/87/205093687.db2.gz	SMHGGPUELUHOHO-UHFFFAOYSA-N	-1	2	393.355	3.354	1	0		GGAFLM
CC(C)Cn1c(-c2ccc([P@](=O)([O-])O)o2)nc2c1c(C1CC1)cc(F)c2N	ZINC000045258256	205093690	/nfs/dbraw/zinc/09/36/90/205093690.db2.gz	SMHGGPUELUHOHO-UHFFFAOYSA-N	-1	2	393.355	3.354	1	0		GGAFLM
Nc1cccc2c1nc(-c1ccc([P@@](=O)([O-])O)o1)n2CC12CCC(CC1)C2	ZINC000045285713	205093926	/nfs/dbraw/zinc/09/39/26/205093926.db2.gz	ISUMPTGFGPBGDE-UHFFFAOYSA-N	-1	2	387.376	3.262	1	0		GGAFLM
Nc1cccc2c1nc(-c1ccc([P@](=O)([O-])O)o1)n2CC12CCC(CC1)C2	ZINC000045285713	205093931	/nfs/dbraw/zinc/09/39/31/205093931.db2.gz	ISUMPTGFGPBGDE-UHFFFAOYSA-N	-1	2	387.376	3.262	1	0		GGAFLM
Nc1cccc2c1nc(-c1ccc([P@@](=O)([O-])O)o1)n2CC1CCCCC1	ZINC000045284921	205094815	/nfs/dbraw/zinc/09/48/15/205094815.db2.gz	HWCFFEVBCUSIJV-UHFFFAOYSA-N	-1	2	375.365	3.262	1	0		GGAFLM
Nc1cccc2c1nc(-c1ccc([P@](=O)([O-])O)o1)n2CC1CCCCC1	ZINC000045284921	205094817	/nfs/dbraw/zinc/09/48/17/205094817.db2.gz	HWCFFEVBCUSIJV-UHFFFAOYSA-N	-1	2	375.365	3.262	1	0		GGAFLM
CCC(CC)Cn1c2ccc(F)c(N)c2nc1-c1ccc([P@@](=O)([O-])O)o1	ZINC000045324738	205095485	/nfs/dbraw/zinc/09/54/85/205095485.db2.gz	QOLSJCYMNQRVCZ-UHFFFAOYSA-N	-1	2	381.344	3.257	1	0		GGAFLM
CCC(CC)Cn1c2ccc(F)c(N)c2nc1-c1ccc([P@](=O)([O-])O)o1	ZINC000045324738	205095490	/nfs/dbraw/zinc/09/54/90/205095490.db2.gz	QOLSJCYMNQRVCZ-UHFFFAOYSA-N	-1	2	381.344	3.257	1	0		GGAFLM
CCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])O)OC(=O)CCCCCC	ZINC000013544791	210067118	/nfs/dbraw/zinc/06/71/18/210067118.db2.gz	JAXUAGQDLYDLQB-OAHLLOKOSA-N	-1	2	396.417	3.492	1	0	in-vivo	GGAFLM
CCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O)OC(=O)CCCCCC	ZINC000013544791	210067120	/nfs/dbraw/zinc/06/71/20/210067120.db2.gz	JAXUAGQDLYDLQB-OAHLLOKOSA-N	-1	2	396.417	3.492	1	0	in-vivo	GGAFLM
CCc1cc(F)c(N)c2nc(-c3ccc([P@@](=O)([O-])O)o3)n(CC(C)C)c21	ZINC000001549124	209332326	/nfs/dbraw/zinc/33/23/26/209332326.db2.gz	GSEADEUPRWQKIW-UHFFFAOYSA-N	-1	2	381.344	3.039	1	0		GGAFLM
CCc1cc(F)c(N)c2nc(-c3ccc([P@](=O)([O-])O)o3)n(CC(C)C)c21	ZINC000001549124	209332328	/nfs/dbraw/zinc/33/23/28/209332328.db2.gz	GSEADEUPRWQKIW-UHFFFAOYSA-N	-1	2	381.344	3.039	1	0		GGAFLM
C[S@@](=O)C[C@@H]1[C@@H](O)[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@](C)(C(=O)[O-])[C@H]1CC3	ZINC000028875669	221685442	/nfs/dbraw/zinc/68/54/42/221685442.db2.gz	RSTMEZAVUUMLEO-TYFKICDJSA-N	-1	2	382.566	3.449	1	0		GGAFLM
Nc1c2cc(C(=O)[O-])c(=O)[nH]c2sc1C(=O)c1ccc(C(F)(F)F)cc1	ZINC000028902845	221685662	/nfs/dbraw/zinc/68/56/62/221685662.db2.gz	BJFPAOBRDCLORN-UHFFFAOYSA-N	-1	2	382.319	3.120	1	0		GGAFLM