smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(N)c2c([nH+]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2	ZINC000001605633	560182934	/nfs/dbraw/zinc/18/29/34/560182934.db2.gz	IQOVRBYGMACLKN-RYUDHWBXSA-N	-1	2	444.452	-1.438	1	0	in-vitro	IAAFLM
Nc1nc2c(c(N)[nH+]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000001605633	560182933	/nfs/dbraw/zinc/18/29/33/560182933.db2.gz	IQOVRBYGMACLKN-RYUDHWBXSA-N	-1	2	444.452	-1.438	1	0	in-vitro	IAAFLM
O=c1n(CCCO[P@](=O)([O-])O)c2c([nH]c(=O)[nH]c2=O)n1C[C@H](O)[C@H](O)[C@H](O)CO	ZINC000012501842	562982574	/nfs/dbraw/zinc/98/25/74/562982574.db2.gz	KPHFGOGGKPGLTM-OOZYFLPDSA-N	-1	2	440.302	-4.246	1	0	in-vivo	IAAFLM
O=c1n(CCCO[P@@](=O)([O-])O)c2c([nH]c(=O)[nH]c2=O)n1C[C@H](O)[C@H](O)[C@H](O)CO	ZINC000012501842	562982573	/nfs/dbraw/zinc/98/25/73/562982573.db2.gz	KPHFGOGGKPGLTM-OOZYFLPDSA-N	-1	2	440.302	-4.246	1	0	in-vivo	IAAFLM
Nc1[nH+]cnc2c1ccn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000013509838	560217835	/nfs/dbraw/zinc/21/78/35/560217835.db2.gz	NCKAOCPROMQFJK-KCGFPETGSA-N	-1	2	426.215	-1.141	1	0	in-vitro	IAAFLM
CC1(C)[C@H](C(=O)N2CCC[C@@H]2C(=O)[O-])N2C(=O)[C@@H](NC(=O)C(F)(F)F)[C@H]2S1(=O)=O	ZINC000026380930	563031388	/nfs/dbraw/zinc/03/13/88/563031388.db2.gz	VCYCWPPQOSGYRO-HGIWHZBTSA-N	-1	2	441.384	-1.147	1	0		IAAFLM
CC1(C)[C@H](C(=O)N2CCC[C@@H]2C(=O)[O-])N2C(=O)[C@H](NC(=O)C(F)(F)F)[C@H]2S1(=O)=O	ZINC000026381541	563031471	/nfs/dbraw/zinc/03/14/71/563031471.db2.gz	VCYCWPPQOSGYRO-OFHVYEONSA-N	-1	2	441.384	-1.147	1	0		IAAFLM
O=C(Cn1c(=O)ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1=O)c1ccccc1	ZINC000040568302	563105150	/nfs/dbraw/zinc/10/51/50/563105150.db2.gz	BVOHBCXZDSIVFU-DTZQCDIJSA-N	-1	2	442.317	-1.379	1	0		IAAFLM
O=C(Cn1c(=O)ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1=O)c1ccccc1	ZINC000040568302	563105149	/nfs/dbraw/zinc/10/51/49/563105149.db2.gz	BVOHBCXZDSIVFU-DTZQCDIJSA-N	-1	2	442.317	-1.379	1	0		IAAFLM
O=c1[nH]cnc2c1nc(Br)n2[C@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000048999973	563135161	/nfs/dbraw/zinc/13/51/61/563135161.db2.gz	DAKIWOGVDCFLAA-BDXYJKHTSA-N	-1	2	427.104	-1.389	1	0		IAAFLM
O=c1[nH]cnc2c1nc(Br)n2[C@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000048999973	563135160	/nfs/dbraw/zinc/13/51/60/563135160.db2.gz	DAKIWOGVDCFLAA-BDXYJKHTSA-N	-1	2	427.104	-1.389	1	0		IAAFLM
O=c1[nH]c(-c2cccnc2)nc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000049031966	563135860	/nfs/dbraw/zinc/13/58/60/563135860.db2.gz	XEAWTDQJPJUNNT-KNSQEALPSA-N	-1	2	425.294	-1.090	1	0		IAAFLM
O=c1[nH]c(-c2cccnc2)nc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000049031966	563135859	/nfs/dbraw/zinc/13/58/59/563135859.db2.gz	XEAWTDQJPJUNNT-KNSQEALPSA-N	-1	2	425.294	-1.090	1	0		IAAFLM
O=c1[nH]c(-c2cccnc2)nc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000049031969	563135824	/nfs/dbraw/zinc/13/58/24/563135824.db2.gz	XEAWTDQJPJUNNT-UBOXLASSSA-N	-1	2	425.294	-1.090	1	0		IAAFLM
O=c1[nH]c(-c2cccnc2)nc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000049031969	563135823	/nfs/dbraw/zinc/13/58/23/563135823.db2.gz	XEAWTDQJPJUNNT-UBOXLASSSA-N	-1	2	425.294	-1.090	1	0		IAAFLM
CC(=O)NCCNc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049088513	563138047	/nfs/dbraw/zinc/13/80/47/563138047.db2.gz	IQLSZVIBSSZSBX-PYUPQCDSSA-N	-1	2	432.330	-1.897	1	0		IAAFLM
CC(=O)NCCNc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049088513	563138046	/nfs/dbraw/zinc/13/80/46/563138046.db2.gz	IQLSZVIBSSZSBX-PYUPQCDSSA-N	-1	2	432.330	-1.897	1	0		IAAFLM
CC(=O)NCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049088514	563138060	/nfs/dbraw/zinc/13/80/60/563138060.db2.gz	IQLSZVIBSSZSBX-IDTAVKCVSA-N	-1	2	432.330	-1.897	1	0		IAAFLM
CC(=O)NCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049088514	563138058	/nfs/dbraw/zinc/13/80/58/563138058.db2.gz	IQLSZVIBSSZSBX-IDTAVKCVSA-N	-1	2	432.330	-1.897	1	0		IAAFLM