smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCc2ncnn2C1 ZINC000261847903 337611574 /nfs/dbraw/zinc/61/15/74/337611574.db2.gz PVBPPCRFSQKNOS-QWHCGFSZSA-N 2 0 318.429 -1.242 10 30 DAEERP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCc2ncnn2C1 ZINC000261847897 662684407 /nfs/dbraw/zinc/68/44/07/662684407.db2.gz PVBPPCRFSQKNOS-CHWSQXEVSA-N 2 0 318.429 -1.242 10 30 DAEERP