smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2c(=O)c(C(=O)N(C)Cc3ccon3)c[nH]c12 ZINC000217176976 400307128 /nfs/dbraw/zinc/30/71/28/400307128.db2.gz WFXXPLNLXJFVLR-UHFFFAOYSA-N 0 2 297.314 2.097 50 70 CEIALN COc1cc(C(=O)Nc2ncn(C3CCCCC3)n2)on1 ZINC000159743516 162314228 /nfs/dbraw/zinc/31/42/28/162314228.db2.gz DGVQSZYPLFYNGX-UHFFFAOYSA-N 0 2 291.311 2.032 50 70 CEIALN