smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1[P@](=O)([O-])O ZINC000013745411 581101763 /nfs/dbraw/zinc/10/17/63/581101763.db2.gz ODUUHISBILAFIK-UHFFFAOYSA-N -1 1 315.134 0.148 1 5 DCBFMM O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1[P@@](=O)([O-])O ZINC000013745411 581101764 /nfs/dbraw/zinc/10/17/64/581101764.db2.gz ODUUHISBILAFIK-UHFFFAOYSA-N -1 1 315.134 0.148 1 5 DCBFMM O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1-c1nn[n-]n1 ZINC000013745409 581101721 /nfs/dbraw/zinc/10/17/21/581101721.db2.gz ZVTNFDJNGBTYNG-UHFFFAOYSA-N -1 1 303.194 0.525 1 5 DCBFMM