smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171185420 902213748 /nfs/dbraw/zinc/21/37/48/902213748.db2.gz JOLGTBBDMAYAJR-UHFFFAOYSA-N 2 3 388.515 3.753 20 30 GHEDHP N=C(Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163684729 1026283014 /nfs/dbraw/zinc/28/30/14/1026283014.db2.gz AHUZZXPEAIFTKP-UHFFFAOYSA-N 2 3 390.453 3.913 20 30 GHEDHP