smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(OC)c2c(c1)C(=O)c1cc(CNCCCC[NH3+])cc(OC)c1C2=O ZINC000096932562 211353003 /nfs/dbraw/zinc/35/30/03/211353003.db2.gz OXZUXPUBNYWCRQ-UHFFFAOYSA-N 1 3 398.459 2.316 1 10 GECFHO Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)[C@@H]3CCCC[NH2+]3)CN(C)[C@@H]1C2 ZINC000103297420 222496378 /nfs/dbraw/zinc/49/63/78/222496378.db2.gz PQQQAIXHXMTHMT-DZJZLKLXSA-N 1 3 380.536 2.397 1 10 GECFHO