smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccco3)C[N@H+]21 ZINC000015708400 206316075 /nfs/dbraw/zinc/31/60/75/206316075.db2.gz OYVJQJAUEPALFV-MJBXVCDLSA-N 1 2 358.398 -0.520 40 30 biogenic,in-vitro FBEBLO C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccco3)C[N@@H+]21 ZINC000015708400 206316074 /nfs/dbraw/zinc/31/60/74/206316074.db2.gz OYVJQJAUEPALFV-MJBXVCDLSA-N 1 2 358.398 -0.520 40 30 biogenic,in-vitro FBEBLO C=CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCC(C(=O)OC)CC2)[C@H]1O ZINC000020463626 220327577 /nfs/dbraw/zinc/32/75/77/220327577.db2.gz MHPRHYWILLZVFW-AQDIXCGQSA-N 1 2 369.418 -0.790 40 30 biogenic,in-vitro FBEBLO