smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1ncc2c1[nH]c(NNC=C1C(=O)N(C)C(=O)N(C)C1=O)nc2=O ZINC000769784490 583272457 /nfs/dbraw/zinc/27/24/57/583272457.db2.gz XFBYVDJWXBOIBO-UHFFFAOYSA-N 0 2 346.307 -1.080 20 10 EACDLN O=C1NC(=S)NC(=O)C1=CNN=c1ccc(-n2ccnc2)n[nH]1 ZINC000794701673 583302122 /nfs/dbraw/zinc/30/21/22/583302122.db2.gz WGFHEKCXTWLWKJ-UHFFFAOYSA-N 0 2 330.333 -1.006 20 10 EACDLN O=C(c1cc(O)[nH]c(=O)c1)N1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001269381105 785537196 /nfs/dbraw/zinc/53/71/96/785537196.db2.gz GACMWEOOMIULRS-UHFFFAOYSA-N 0 2 335.316 -1.055 20 10 EACDLN O=C(c1cc(O)[nH]c(=O)c1)N1CC2(C1)COCC(=O)N2C1COC1 ZINC001269381954 785536688 /nfs/dbraw/zinc/53/66/88/785536688.db2.gz ZKUVGQOCUIEYQR-UHFFFAOYSA-N 0 2 335.316 -1.055 20 10 EACDLN