smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C=C1/C[N@+]2(CCCC)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000252461254 717165576 /nfs/dbraw/zinc/16/55/76/717165576.db2.gz LQDGJFHWZHMWLV-MXKCXKOZSA-O 1 0 349.498 4.172 50 50 EIGARO C/C=C1\C[N@+]2(CCCC)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000252461253 717165565 /nfs/dbraw/zinc/16/55/65/717165565.db2.gz LQDGJFHWZHMWLV-MWXTZXKSSA-O 1 0 349.498 4.172 50 50 EIGARO