smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1c2ccccc2[nH]c(=O)c1-c1nc2ccc(N3CCOCC3)nc2[nH]1	ZINC000036176827	581100675	/nfs/dbraw/zinc/10/06/75/581100675.db2.gz	YUZDAIVFOGPJIS-UHFFFAOYSA-N	-1	2	362.393	2.249	1	0		FEAFLM
O=[P@@]([O-])(O)CN[C@@H](Cc1ccc2c(c1)oc1ccccc12)c1nn[nH]n1	ZINC000003981919	204116818	/nfs/dbraw/zinc/11/68/18/204116818.db2.gz	HYXPDXHZGJELSV-ZDUSSCGKSA-N	-1	2	373.309	2.108	1	0		FEAFLM
O=[P@]([O-])(O)CN[C@@H](Cc1ccc2c(c1)oc1ccccc12)c1nn[nH]n1	ZINC000003981919	204116821	/nfs/dbraw/zinc/11/68/21/204116821.db2.gz	HYXPDXHZGJELSV-ZDUSSCGKSA-N	-1	2	373.309	2.108	1	0		FEAFLM
CCSc1cc(=O)c2c(O)cc(O)c([C@H]3CC[N@@H+](C)C[C@@H]3O)c2o1	ZINC000012354904	207365881	/nfs/dbraw/zinc/36/58/81/207365881.db2.gz	MXQMYWXBECXGHZ-ZANVPECISA-N	-1	2	351.424	2.096	1	0		FEAFLM
CCSc1cc(=O)c2c(O)cc(O)c([C@@H]3CC[N@@H+](C)C[C@@H]3O)c2o1	ZINC000012354901	207365285	/nfs/dbraw/zinc/36/52/85/207365285.db2.gz	MXQMYWXBECXGHZ-RNCFNFMXSA-N	-1	2	351.424	2.096	1	0		FEAFLM
O=C([O-])c1cc2n(n1)[C@@H](C(=O)[O-])Nc1cc(Cl)c(-n3cc[nH+]c3)cc1-2	ZINC000027326273	581102127	/nfs/dbraw/zinc/10/21/27/581102127.db2.gz	SEAKCYNFQSTCLA-ZDUSSCGKSA-N	-1	2	359.729	2.096	1	0		FEAFLM
O=C([O-])c1cc2n(n1)[C@H](C(=O)[O-])Nc1cc(Cl)c(-n3cc[nH+]c3)cc1-2	ZINC000027326270	581102103	/nfs/dbraw/zinc/10/21/03/581102103.db2.gz	SEAKCYNFQSTCLA-CYBMUJFWSA-N	-1	2	359.729	2.096	1	0		FEAFLM
COc1ccccc1-c1sc(N)nc1-c1ccc([P@@](=O)([O-])O)o1	ZINC000066103548	221241121	/nfs/dbraw/zinc/24/11/21/221241121.db2.gz	VTKAIXYQYKVFTF-UHFFFAOYSA-N	-1	2	352.308	2.464	1	0		FEAFLM
COc1ccccc1-c1sc(N)nc1-c1ccc([P@](=O)([O-])O)o1	ZINC000066103548	221241124	/nfs/dbraw/zinc/24/11/24/221241124.db2.gz	VTKAIXYQYKVFTF-UHFFFAOYSA-N	-1	2	352.308	2.464	1	0		FEAFLM
O=C(Nc1nc2ccccc2[nH]1)c1ccc(C(F)(F)[P@](=O)([O-])O)cc1	ZINC000049047748	221018108	/nfs/dbraw/zinc/01/81/08/221018108.db2.gz	GRIBYFLJXRGBLY-UHFFFAOYSA-N	-1	2	367.248	2.464	1	0		FEAFLM
O=C(Nc1nc2ccccc2[nH]1)c1ccc(C(F)(F)[P@@](=O)([O-])O)cc1	ZINC000049047748	221018111	/nfs/dbraw/zinc/01/81/11/221018111.db2.gz	GRIBYFLJXRGBLY-UHFFFAOYSA-N	-1	2	367.248	2.464	1	0		FEAFLM
COc1ccc2c(nc(-c3ccc([P@@](=O)([O-])O)o3)n2CC(C)C)c1N	ZINC000045316034	205120476	/nfs/dbraw/zinc/12/04/76/205120476.db2.gz	IBNKEBKDHXZAPY-UHFFFAOYSA-N	-1	2	365.326	2.346	1	0		FEAFLM
COc1ccc2c(nc(-c3ccc([P@](=O)([O-])O)o3)n2CC(C)C)c1N	ZINC000045316034	205120480	/nfs/dbraw/zinc/12/04/80/205120480.db2.gz	IBNKEBKDHXZAPY-UHFFFAOYSA-N	-1	2	365.326	2.346	1	0		FEAFLM
C[C@H](n1c(-c2ccc([P@@](=O)([O-])O)o2)nc2c1ncnc2N)C(C)(C)C	ZINC000040943122	205085217	/nfs/dbraw/zinc/08/52/17/205085217.db2.gz	KHUUGXGWBNYRAZ-QMMMGPOBSA-N	-1	2	365.330	2.079	1	0		FEAFLM
C[C@H](n1c(-c2ccc([P@](=O)([O-])O)o2)nc2c1ncnc2N)C(C)(C)C	ZINC000040943122	205085220	/nfs/dbraw/zinc/08/52/20/205085220.db2.gz	KHUUGXGWBNYRAZ-QMMMGPOBSA-N	-1	2	365.330	2.079	1	0		FEAFLM
Nc1c2nc(-c3ccc([P@@](=O)([O-])O)o3)n(CC3CC3)c2ccc1F	ZINC000001549125	210360773	/nfs/dbraw/zinc/36/07/73/210360773.db2.gz	SLLOKLAJTOKILD-UHFFFAOYSA-N	-1	2	351.274	2.231	1	0		FEAFLM
Nc1c2nc(-c3ccc([P@](=O)([O-])O)o3)n(CC3CC3)c2ccc1F	ZINC000001549125	210360780	/nfs/dbraw/zinc/36/07/80/210360780.db2.gz	SLLOKLAJTOKILD-UHFFFAOYSA-N	-1	2	351.274	2.231	1	0		FEAFLM