smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2c1ncn2[C@@H](C=O)O[C@H](C=O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000008660765	553108939	/nfs/dbraw/zinc/10/89/39/553108939.db2.gz	ZOSTZYMLOPBGQI-RNFRBKRXSA-N	-3	1	505.166	-0.967	40	30		KBEBML
Nc1ncnc2c1ncn2[C@@H](C=O)O[C@H](C=O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000008660765	553108937	/nfs/dbraw/zinc/10/89/37/553108937.db2.gz	ZOSTZYMLOPBGQI-RNFRBKRXSA-N	-3	1	505.166	-0.967	40	30		KBEBML
Nc1ncnc2c1ncn2[C@H](C=O)O[C@@H](C=O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000013516144	553468204	/nfs/dbraw/zinc/46/82/04/553468204.db2.gz	ZOSTZYMLOPBGQI-BQBZGAKWSA-N	-3	1	505.166	-0.967	40	30		KBEBML
Nc1ncnc2c1ncn2[C@H](C=O)O[C@@H](C=O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000013516144	553468202	/nfs/dbraw/zinc/46/82/02/553468202.db2.gz	ZOSTZYMLOPBGQI-BQBZGAKWSA-N	-3	1	505.166	-0.967	40	30		KBEBML
O=C[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O[C@@H](C=O)n1cnc2c1nc[nH]c2=O	ZINC000025760528	571360671	/nfs/dbraw/zinc/36/06/71/571360671.db2.gz	FOMFUVPLGRLZNH-BQBZGAKWSA-N	-3	1	506.150	-0.843	40	30		KBEBML
O=C[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O[C@@H](C=O)n1cnc2c1nc[nH]c2=O	ZINC000025760528	571360670	/nfs/dbraw/zinc/36/06/70/571360670.db2.gz	FOMFUVPLGRLZNH-BQBZGAKWSA-N	-3	1	506.150	-0.843	40	30		KBEBML
[N-]=[N+]=Nc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000077271937	553656725	/nfs/dbraw/zinc/65/67/25/553656725.db2.gz	PQISXOFEOCLOCT-UUOKFMHZSA-N	-3	1	548.195	-0.687	40	30	in-vitro	KBEBML
[N-]=[N+]=Nc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000077271937	553656722	/nfs/dbraw/zinc/65/67/22/553656722.db2.gz	PQISXOFEOCLOCT-UUOKFMHZSA-N	-3	1	548.195	-0.687	40	30	in-vitro	KBEBML
[N-]=[N+]=Nc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000079322581	1066237653	/nfs/dbraw/zinc/23/76/53/1066237653.db2.gz	PQISXOFEOCLOCT-FJFJXFQQSA-N	-3	1	548.195	-0.687	40	30		KBEBML
[N-]=[N+]=Nc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000079322581	1066237636	/nfs/dbraw/zinc/23/76/36/1066237636.db2.gz	PQISXOFEOCLOCT-FJFJXFQQSA-N	-3	1	548.195	-0.687	40	30		KBEBML
[N-]=[N+]=Nc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000079322588	1066237585	/nfs/dbraw/zinc/23/75/85/1066237585.db2.gz	PQISXOFEOCLOCT-FTWQFJAYSA-N	-3	1	548.195	-0.687	40	30		KBEBML
[N-]=[N+]=Nc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000079322588	1066237565	/nfs/dbraw/zinc/23/75/65/1066237565.db2.gz	PQISXOFEOCLOCT-FTWQFJAYSA-N	-3	1	548.195	-0.687	40	30		KBEBML
[N-]=[N+]=Nc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000079322590	1066237482	/nfs/dbraw/zinc/23/74/82/1066237482.db2.gz	PQISXOFEOCLOCT-GFRUICAKSA-N	-3	1	548.195	-0.687	40	30		KBEBML
[N-]=[N+]=Nc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000079322590	1066237469	/nfs/dbraw/zinc/23/74/69/1066237469.db2.gz	PQISXOFEOCLOCT-GFRUICAKSA-N	-3	1	548.195	-0.687	40	30		KBEBML
Nc1ncnc2c1ncn2[C@H](C=O)O[C@H](C=O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000100495684	554404279	/nfs/dbraw/zinc/40/42/79/554404279.db2.gz	ZOSTZYMLOPBGQI-RQJHMYQMSA-N	-3	1	505.166	-0.967	40	30		KBEBML
Nc1ncnc2c1ncn2[C@H](C=O)O[C@H](C=O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000100495684	554404275	/nfs/dbraw/zinc/40/42/75/554404275.db2.gz	ZOSTZYMLOPBGQI-RQJHMYQMSA-N	-3	1	505.166	-0.967	40	30		KBEBML
Cc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2S)c(N)n1	ZINC000115847205	571443356	/nfs/dbraw/zinc/44/33/56/571443356.db2.gz	CYVRSFQGSKPFJK-IOSLPCCCSA-N	-3	1	537.277	-0.383	40	30		KBEBML
Cc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2S)c(N)n1	ZINC000115847205	571443355	/nfs/dbraw/zinc/44/33/55/571443355.db2.gz	CYVRSFQGSKPFJK-IOSLPCCCSA-N	-3	1	537.277	-0.383	40	30		KBEBML
Nc1ncnc2c1ncn2[C@H](C=O)C[C@@H](C=O)CO[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O	ZINC000584578270	1066201645	/nfs/dbraw/zinc/20/16/45/1066201645.db2.gz	ZGRLVARWDBFPFK-YUMQZZPRSA-N	-3	1	503.194	-0.303	40	30		KBEBML
Nc1ncnc2c1ncn2[C@H](C=O)C[C@@H](C=O)CO[P@](=O)([O-])O[P@](=O)([O-])O[P@@](=O)([O-])O	ZINC000584578270	1066201640	/nfs/dbraw/zinc/20/16/40/1066201640.db2.gz	ZGRLVARWDBFPFK-YUMQZZPRSA-N	-3	1	503.194	-0.303	40	30		KBEBML
Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC001529040333	1066233501	/nfs/dbraw/zinc/23/35/01/1066233501.db2.gz	NQKWOKYIYHENJD-FGVQXAILSA-N	-3	1	607.302	-0.229	40	30		KBEBML
Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC001529040333	1066233485	/nfs/dbraw/zinc/23/34/85/1066233485.db2.gz	NQKWOKYIYHENJD-FGVQXAILSA-N	-3	1	607.302	-0.229	40	30		KBEBML