smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C=C1/C[N@+]2(CCCC)CC[C@]34c5cccc(O)c5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000245253778 717163856 /nfs/dbraw/zinc/16/38/56/717163856.db2.gz PMVPZDGAMARLPF-OGPUIGBUSA-O 1 0 365.497 3.878 50 50 FHGARO C/C=C1/C[N@+]2(CCCC)CC[C@@]34c5cccc(O)c5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000245253777 717163907 /nfs/dbraw/zinc/16/39/07/717163907.db2.gz PMVPZDGAMARLPF-KCVIYDJISA-O 1 0 365.497 3.878 50 50 FHGARO C/C=C1/C[N@@+]2(CCCC)CC[C@]34c5cccc(O)c5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000245253780 717163901 /nfs/dbraw/zinc/16/39/01/717163901.db2.gz PMVPZDGAMARLPF-XMAUJETRSA-O 1 0 365.497 3.878 50 50 FHGARO