smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C#N)c2nc3ccccc3n2c(N2CC[NH+](C)CC2)c1CCN1CC[NH+](C)CC1 ZINC000036646025 569128591 /nfs/dbraw/zinc/12/85/91/569128591.db2.gz MTBJAWOAGMUOQW-UHFFFAOYSA-N 2 0 431.588 2.209 50 30 IEEARP CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CN1CC(=O)[O+]=N1 ZINC000019744427 556890791 /nfs/dbraw/zinc/89/07/91/556890791.db2.gz UAKKTUQOWISFQC-UHFFFAOYSA-O 2 0 427.447 2.100 50 30 IEEARP