smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCC2=C[C@H](O)[C@H]3OC(=O)c4cc(O)c(O)cc4[C@H]3[C@@H]21 ZINC000096909153 185391019 /nfs/dbraw/zinc/39/10/19/185391019.db2.gz VCMOJZNESSZVCD-BYNSBNAKSA-N 1 0 303.314 0.725 1 10 DCCFRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1([NH3+])CCCC1 ZINC000096937349 185393121 /nfs/dbraw/zinc/39/31/21/185393121.db2.gz ARPLKCSGNIAIRJ-NSHDSACASA-N 1 0 322.361 0.570 1 10 DCCFRO Cn1n[n+](Cc2ccccn2)c2c1C(=O)c1ccccc1C2=O ZINC000066167043 184394748 /nfs/dbraw/zinc/39/47/48/184394748.db2.gz CEPHZXDKDYEJBM-UHFFFAOYSA-N 1 0 305.317 0.926 1 10 DCCFRO