smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=NNCC(=O)[O-])C(=O)[O-] 100203873 169241383 /nfs/dbraw/zinc/24/13/83/169241383.db2.gz WQMUMFPZBCPWQV-LDHNOCAXSA-N -2 1 161.117 -1.107 10 10 AACEML NC(=NNCC(=O)[O-])C(=O)[O-] 100203879 169261907 /nfs/dbraw/zinc/26/19/07/169261907.db2.gz WQMUMFPZBCPWQV-QVRJCHDNSA-N -2 1 161.117 -1.107 10 10 AACEML