smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCNC1=NC(C)(C)[NH+]=C(NCCCCCC)N1 ZINC000019332459 202004489 /nfs/dbraw/zinc/00/44/89/202004489.db2.gz UYUMRODGBNTEQN-UHFFFAOYSA-N 1 3 337.556 4.158 1 30 EIEFHO CCCCCCCCNC1=[NH+]C(C)(C)N=C(NCCCCCC)N1 ZINC000019332459 202004492 /nfs/dbraw/zinc/00/44/92/202004492.db2.gz UYUMRODGBNTEQN-UHFFFAOYSA-N 1 3 337.556 4.158 1 30 EIEFHO