smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(C[NH+]2CCN(c3ccc(C[NH3+])cc3)CC2)cn1 ZINC000020352246 356538335 /nfs/dbraw/zinc/53/83/35/356538335.db2.gz ZNNXSXIBIKVRTJ-UHFFFAOYSA-N 2 1 285.395 1.201 40 10 CDCBMP [NH3+]Cc1ccc(N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000020266058 356534050 /nfs/dbraw/zinc/53/40/50/356534050.db2.gz UYTJIODCERHWIC-UHFFFAOYSA-N 2 1 282.391 1.863 40 10 CDCBMP [NH3+]Cc1ccc(N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000020266061 356533797 /nfs/dbraw/zinc/53/37/97/356533797.db2.gz ATIKETOTCKBLID-UHFFFAOYSA-N 2 1 282.391 1.863 40 10 CDCBMP