smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012474013 522978533 /nfs/dbraw/zinc/97/85/33/522978533.db2.gz OXPWPEKTXJVXIX-UHFFFAOYSA-N 1 0 432.908 4.291 10 5 IIBERO C[N+]1(C)CCN([C@H](COC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)CC1 ZINC000005424847 717099588 /nfs/dbraw/zinc/09/95/88/717099588.db2.gz CKKDXEPBSIZEJU-AREMUKBSSA-N 1 0 429.584 4.495 10 5 IIBERO C[N+]1(C)CCN([C@@H](COC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)CC1 ZINC000005424842 717099097 /nfs/dbraw/zinc/09/90/97/717099097.db2.gz CKKDXEPBSIZEJU-SANMLTNESA-N 1 0 429.584 4.495 10 5 IIBERO