smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)C([N+]#N)=C(O)Nn1cc(C(=S)N2CCOCC2)nn1 ZINC000008713733 375235932 /nfs/dbraw/zinc/23/59/32/375235932.db2.gz RQPNFTGXJZACLT-UHFFFAOYSA-N 1 0 338.353 -2.227 50 10 EACARO C[C@H](O)C[N+](=O)[N-]OCN(CO/N=[N+](\O)C[C@H](C)O)[N+](=O)[O-] ZINC000225416944 299436835 /nfs/dbraw/zinc/43/68/35/299436835.db2.gz UEFZEBZQSVXECA-YUMQZZPRSA-N 1 0 328.282 -1.272 50 10 EACARO C[C@@H](O)C/[N+](O)=N/OCN(CO[N-][N+](=O)C[C@H](C)O)[N+](=O)[O-] ZINC000225416986 287076745 /nfs/dbraw/zinc/07/67/45/287076745.db2.gz UEFZEBZQSVXECA-OCAPTIKFSA-N 1 0 328.282 -1.272 50 10 EACARO C[C@@H](O)C[N+](=O)[N-]OCN(CO/N=[N+](\O)C[C@@H](C)O)[N+](=O)[O-] ZINC000225417031 374811005 /nfs/dbraw/zinc/81/10/05/374811005.db2.gz UEFZEBZQSVXECA-HTQZYQBOSA-N 1 0 328.282 -1.272 50 10 EACARO