smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012756348 524069745 /nfs/dbraw/zinc/06/97/45/524069745.db2.gz SLQCCWKGONKYNM-XMMPIXPASA-N 2 3 441.616 2.998 50 0 IFAAHP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012756344 524069943 /nfs/dbraw/zinc/06/99/43/524069943.db2.gz SLQCCWKGONKYNM-DEOSSOPVSA-N 2 3 441.616 2.998 50 0 IFAAHP