smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2cc(CNCCCN3CCCC3=O)c(N3CC[N@@H+]4CCC[C@@H]4C3)nc12 ZINC000012130112 132354518 /nfs/dbraw/zinc/35/45/18/132354518.db2.gz AUAMICBMCFAYQR-JOCHJYFZSA-N 1 3 421.589 2.930 1 0 HFAFHO Cc1cccc2cc(CNCCCN3CCCC3=O)c(N3CC[N@H+]4CCC[C@@H]4C3)nc12 ZINC000012130112 132354521 /nfs/dbraw/zinc/35/45/21/132354521.db2.gz AUAMICBMCFAYQR-JOCHJYFZSA-N 1 3 421.589 2.930 1 0 HFAFHO