smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN1CC[C@@H](C[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)C1 ZINC000067786975 472089898 /nfs/dbraw/zinc/08/98/98/472089898.db2.gz MOIITGCCUYUMMM-INIZCTEOSA-N 1 3 345.487 2.706 50 10 EFCAHO CCCN1CC[C@H](C[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)C1 ZINC000067786972 472089535 /nfs/dbraw/zinc/08/95/35/472089535.db2.gz MOIITGCCUYUMMM-MRXNPFEDSA-N 1 3 345.487 2.706 50 10 EFCAHO