smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=N[N-]c1nc(C(=O)[O-])n[nH]1 37633225 169361208 /nfs/dbraw/zinc/36/12/08/169361208.db2.gz MPOQVTISOTYUQK-UHFFFAOYSA-N -2 1 157.089 -0.024 10 10 ABCEML O=[SH]C[C@H](C=CC(=O)[O-])C(=O)[O-] 116001441 572652668 /nfs/dbraw/zinc/65/26/68/572652668.db2.gz UTWIARBFTRTHPR-BYPYZUCNSA-N -2 1 192.192 -0.433 10 10 ABCEML