smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O ZINC000003870862 302320845 /nfs/dbraw/zinc/32/08/45/302320845.db2.gz OIFWQOKDSPDILA-FXQIFTODSA-N -2 0 347.224 -0.079 10 10 EBCERL Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O ZINC000012503816 560212733 /nfs/dbraw/zinc/21/27/33/560212733.db2.gz OIFWQOKDSPDILA-RNJXMRFFSA-N -2 0 347.224 -0.079 10 10 in-vitro EBCERL Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O ZINC000003870864 302320703 /nfs/dbraw/zinc/32/07/03/302320703.db2.gz OIFWQOKDSPDILA-CSMHCCOUSA-N -2 0 347.224 -0.079 10 10 EBCERL