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[N-]C(=O)/C(=N/N2CCC2)C(=O)N1 872398089 583368484 /nfs/dbraw/zinc/36/84/84/583368484.db2.gz CZVLMOVGXMCNIU-UHFFFAOYSA-N -1 2 196.166 -1.586 20 30 AAEDLM O=C1[N-]C(=O)/C(=N\N2CCC2)C(=O)N1 872398089 583368485 /nfs/dbraw/zinc/36/84/85/583368485.db2.gz CZVLMOVGXMCNIU-UHFFFAOYSA-N -1 2 196.166 -1.586 20 30 AAEDLM O=C1[N-]C(=O)/C(=N\NC2CC2)C(=O)N1 814226911 582976312 /nfs/dbraw/zinc/97/63/12/582976312.db2.gz MUQJASGQPHIDPB-UHFFFAOYSA-N -1 2 196.166 -1.540 20 30 AAEDLM O=C1[N-]C(=O)/C(=N/NC2CC2)C(=O)N1 814226911 582976315 /nfs/dbraw/zinc/97/63/15/582976315.db2.gz MUQJASGQPHIDPB-UHFFFAOYSA-N -1 2 196.166 -1.540 20 30 AAEDLM