smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1noc2c1/C(=N\[O-])CCC2 102419859 167114958 /nfs/dbraw/zinc/11/49/58/167114958.db2.gz VHGZNFIFFJMVTP-XFFZJAGNSA-N -1 3 194.234 2.142 3 30 AEEFHM C[C@@H]1CCC=C2C([O-])=CC(=O)C[C@]21C 73240440 168413396 /nfs/dbraw/zinc/41/33/96/168413396.db2.gz QBWXJIDMACMDQA-PELKAZGASA-N -1 3 192.258 2.281 1 30 AEEFHM