smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2cn([C@@H]3C[C@H](O)[C@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000036238105	581092945	/nfs/dbraw/zinc/09/29/45/581092945.db2.gz	VXEMJHOYOBDZHI-IHRRRGAJSA-N	-1	2	398.308	0.270	1	0		GCAFLM
Cc1ccc(-c2cn([C@@H]3C[C@H](O)[C@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000036238105	581092946	/nfs/dbraw/zinc/09/29/46/581092946.db2.gz	VXEMJHOYOBDZHI-IHRRRGAJSA-N	-1	2	398.308	0.270	1	0		GCAFLM
Cc1ccc(-c2cn([C@@H]3C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000169713195	581093026	/nfs/dbraw/zinc/09/30/26/581093026.db2.gz	VXEMJHOYOBDZHI-MJBXVCDLSA-N	-1	2	398.308	0.270	1	0		GCAFLM
Cc1ccc(-c2cn([C@@H]3C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000169713195	581093027	/nfs/dbraw/zinc/09/30/27/581093027.db2.gz	VXEMJHOYOBDZHI-MJBXVCDLSA-N	-1	2	398.308	0.270	1	0		GCAFLM
Cc1ccc(-c2cn([C@H]3C[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000169713194	581093189	/nfs/dbraw/zinc/09/31/89/581093189.db2.gz	VXEMJHOYOBDZHI-MGPQQGTHSA-N	-1	2	398.308	0.270	1	0		GCAFLM
Cc1ccc(-c2cn([C@H]3C[C@@H](O)[C@@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000169713194	581093191	/nfs/dbraw/zinc/09/31/91/581093191.db2.gz	VXEMJHOYOBDZHI-MGPQQGTHSA-N	-1	2	398.308	0.270	1	0		GCAFLM
Cc1cccc(C[n+]2cccc(CC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)c2)c1	ZINC000013673796	210077861	/nfs/dbraw/zinc/07/78/61/210077861.db2.gz	HJFPFJFGAAFJCS-UHFFFAOYSA-O	-1	2	388.273	0.875	1	0		GCAFLM
Cc1cccc(C[n+]2cccc(CC(O)(P(=O)([O-])O)[P@](=O)([O-])O)c2)c1	ZINC000013673796	210077865	/nfs/dbraw/zinc/07/78/65/210077865.db2.gz	HJFPFJFGAAFJCS-UHFFFAOYSA-O	-1	2	388.273	0.875	1	0		GCAFLM
Cc1ccc(-c2cn([C@H]3C[C@H](O)[C@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000036238107	581093019	/nfs/dbraw/zinc/09/30/19/581093019.db2.gz	VXEMJHOYOBDZHI-MELADBBJSA-N	-1	2	398.308	0.270	1	0		GCAFLM
Cc1ccc(-c2cn([C@H]3C[C@H](O)[C@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000036238107	581093020	/nfs/dbraw/zinc/09/30/20/581093020.db2.gz	VXEMJHOYOBDZHI-MELADBBJSA-N	-1	2	398.308	0.270	1	0		GCAFLM
Cc1ccc(-c2cn([C@H]3C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000169320204	581093173	/nfs/dbraw/zinc/09/31/73/581093173.db2.gz	VXEMJHOYOBDZHI-BFHYXJOUSA-N	-1	2	398.308	0.270	1	0		GCAFLM
Cc1ccc(-c2cn([C@H]3C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000169320204	581093174	/nfs/dbraw/zinc/09/31/74/581093174.db2.gz	VXEMJHOYOBDZHI-BFHYXJOUSA-N	-1	2	398.308	0.270	1	0		GCAFLM
O=P([O-])(O)C(O)(C[n+]1cccc(-c2ccc(O)cc2)c1)[P@@](=O)([O-])O	ZINC000013643028	210074129	/nfs/dbraw/zinc/07/41/29/210074129.db2.gz	PWBHTBGQHDGPDL-UHFFFAOYSA-O	-1	2	376.218	0.348	1	0		GCAFLM
O=P([O-])(O)C(O)(C[n+]1cccc(-c2ccc(O)cc2)c1)[P@](=O)([O-])O	ZINC000013643028	210074137	/nfs/dbraw/zinc/07/41/37/210074137.db2.gz	PWBHTBGQHDGPDL-UHFFFAOYSA-O	-1	2	376.218	0.348	1	0		GCAFLM
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)cc1-c1cccs1	ZINC000013538470	210065546	/nfs/dbraw/zinc/06/55/46/210065546.db2.gz	GZYRNUNJQPETEJ-IQJOONFLSA-N	-1	2	390.310	0.023	1	0		GCAFLM
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)cc1-c1cccs1	ZINC000013538470	210065549	/nfs/dbraw/zinc/06/55/49/210065549.db2.gz	GZYRNUNJQPETEJ-IQJOONFLSA-N	-1	2	390.310	0.023	1	0		GCAFLM
Cc1ccc(-c2cn([C@@H]3C[C@@H](O)[C@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000036238109	581093078	/nfs/dbraw/zinc/09/30/78/581093078.db2.gz	VXEMJHOYOBDZHI-RDBSUJKOSA-N	-1	2	398.308	0.270	1	0		GCAFLM
Cc1ccc(-c2cn([C@@H]3C[C@@H](O)[C@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000036238109	581093079	/nfs/dbraw/zinc/09/30/79/581093079.db2.gz	VXEMJHOYOBDZHI-RDBSUJKOSA-N	-1	2	398.308	0.270	1	0		GCAFLM
O=c1[nH]cnc2c1ncn2C[C@H]1COCC[C@H]1CC(F)(F)[P@](=O)([O-])O	ZINC000095575573	211278192	/nfs/dbraw/zinc/27/81/92/211278192.db2.gz	JNIMYYSKDBUOIP-IUCAKERBSA-N	-1	2	378.272	0.933	1	0		GCAFLM
O=c1[nH]cnc2c1ncn2C[C@H]1COCC[C@H]1CC(F)(F)[P@@](=O)([O-])O	ZINC000095575573	211278196	/nfs/dbraw/zinc/27/81/96/211278196.db2.gz	JNIMYYSKDBUOIP-IUCAKERBSA-N	-1	2	378.272	0.933	1	0		GCAFLM
Cc1ccc(-c2cn([C@@H]3C[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000169713193	581093135	/nfs/dbraw/zinc/09/31/35/581093135.db2.gz	VXEMJHOYOBDZHI-MCIONIFRSA-N	-1	2	398.308	0.270	1	0		GCAFLM
Cc1ccc(-c2cn([C@@H]3C[C@@H](O)[C@@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000169713193	581093137	/nfs/dbraw/zinc/09/31/37/581093137.db2.gz	VXEMJHOYOBDZHI-MCIONIFRSA-N	-1	2	398.308	0.270	1	0		GCAFLM
CNc1nc(Cl)nc2c1ncn2C[C@@H](COC(C)=O)CO[P@@](=O)([O-])O	ZINC000013864021	210095163	/nfs/dbraw/zinc/09/51/63/210095163.db2.gz	GRNDXUPUOYPZJB-QMMMGPOBSA-N	-1	2	393.724	0.810	1	0		GCAFLM
CNc1nc(Cl)nc2c1ncn2C[C@@H](COC(C)=O)CO[P@](=O)([O-])O	ZINC000013864021	210095167	/nfs/dbraw/zinc/09/51/67/210095167.db2.gz	GRNDXUPUOYPZJB-QMMMGPOBSA-N	-1	2	393.724	0.810	1	0		GCAFLM
O=c1[nH]cnc2c1ncn2Cc1cn(CCCC(F)(F)[P@](=O)([O-])O)nn1	ZINC000084670189	222319508	/nfs/dbraw/zinc/31/95/08/222319508.db2.gz	NCYAJEPQWGVQJO-UHFFFAOYSA-N	-1	2	389.259	0.310	1	0		GCAFLM
O=c1[nH]cnc2c1ncn2Cc1cn(CCCC(F)(F)[P@@](=O)([O-])O)nn1	ZINC000084670189	222319512	/nfs/dbraw/zinc/31/95/12/222319512.db2.gz	NCYAJEPQWGVQJO-UHFFFAOYSA-N	-1	2	389.259	0.310	1	0		GCAFLM
Cc1cn(Cc2cn(CCCC(F)(F)[P@@](=O)([O-])O)nn2)c(=O)[nH]c1=O	ZINC000084669424	222319323	/nfs/dbraw/zinc/31/93/23/222319323.db2.gz	QWMPFOVWFNYYKH-UHFFFAOYSA-N	-1	2	379.260	0.036	1	0		GCAFLM
Cc1cn(Cc2cn(CCCC(F)(F)[P@](=O)([O-])O)nn2)c(=O)[nH]c1=O	ZINC000084669424	222319327	/nfs/dbraw/zinc/31/93/27/222319327.db2.gz	QWMPFOVWFNYYKH-UHFFFAOYSA-N	-1	2	379.260	0.036	1	0		GCAFLM
Cc1ccc(-c2cn([C@H]3C[C@@H](O)[C@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000036238111	581093106	/nfs/dbraw/zinc/09/31/06/581093106.db2.gz	VXEMJHOYOBDZHI-HZSPNIEDSA-N	-1	2	398.308	0.270	1	0		GCAFLM
Cc1ccc(-c2cn([C@H]3C[C@@H](O)[C@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c2=O)cc1	ZINC000036238111	581093107	/nfs/dbraw/zinc/09/31/07/581093107.db2.gz	VXEMJHOYOBDZHI-HZSPNIEDSA-N	-1	2	398.308	0.270	1	0		GCAFLM
CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@@H](O[P@@](=O)([O-])O)[C@]2(CO)C[C@H]12	ZINC000027636347	207328557	/nfs/dbraw/zinc/32/85/57/207328557.db2.gz	JBPZNHLPOYFQSQ-LJYOZPSBSA-N	-1	2	389.736	0.943	1	0		GCAFLM
CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@@H](O[P@](=O)([O-])O)[C@]2(CO)C[C@H]12	ZINC000027636347	207328560	/nfs/dbraw/zinc/32/85/60/207328560.db2.gz	JBPZNHLPOYFQSQ-LJYOZPSBSA-N	-1	2	389.736	0.943	1	0		GCAFLM
CNc1nc(Cl)nc2c1ncn2C[C@H](COC(C)=O)CO[P@@](=O)([O-])O	ZINC000013864022	207002347	/nfs/dbraw/zinc/00/23/47/207002347.db2.gz	GRNDXUPUOYPZJB-MRVPVSSYSA-N	-1	2	393.724	0.810	1	0		GCAFLM
CNc1nc(Cl)nc2c1ncn2C[C@H](COC(C)=O)CO[P@](=O)([O-])O	ZINC000013864022	207002351	/nfs/dbraw/zinc/00/23/51/207002351.db2.gz	GRNDXUPUOYPZJB-MRVPVSSYSA-N	-1	2	393.724	0.810	1	0		GCAFLM
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)C(F)(F)F)C(=O)[O-]	ZINC000027322984	207323634	/nfs/dbraw/zinc/32/36/34/207323634.db2.gz	ZSMNBWFERVDOGA-UWVGGRQHSA-N	-1	2	376.287	0.019	1	0		GCAFLM
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C(F)(F)F)C(=O)[O-]	ZINC000027322968	207324288	/nfs/dbraw/zinc/32/42/88/207324288.db2.gz	ZSMNBWFERVDOGA-NXEZZACHSA-N	-1	2	376.287	0.019	1	0		GCAFLM