smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC ZINC000013647971 174084316 /nfs/dbraw/zinc/08/43/16/174084316.db2.gz HBEZFJUPDYWRKL-QMMMGPOBSA-N 2 1 246.311 -1.182 1 30 BAEFMP NNC(=[NH2+])c1cccc(C=NNC(N)=[NH2+])n1 ZINC000013861135 181200222 /nfs/dbraw/zinc/20/02/22/181200222.db2.gz DFMYPXFRJYKZTA-YIXHJXPBSA-N 2 1 220.240 -1.522 1 30 BAEFMP