smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NN=C2c3ccccc3C=C(C(=O)[O-])C2=O)c(S(=O)(=O)[O-])c1 ZINC000016892518 204602602 /nfs/dbraw/zinc/60/26/02/204602602.db2.gz JYNBEDVXQNFTOX-VXPUYCOJSA-N -2 0 386.385 4.214 40 10 GICBRL CN(CCCN(C)/N=N\c1ccccc1C(=O)[O-])/N=N/c1ccccc1C(=O)[O-] ZINC000100374477 208375953 /nfs/dbraw/zinc/37/59/53/208375953.db2.gz LLWSHWXPHQQTEL-KEEJTVGESA-N -2 0 398.423 4.034 40 10 GICBRL CN(CCCN(C)/N=N/c1ccccc1C(=O)[O-])/N=N/c1ccccc1C(=O)[O-] ZINC000001614668 209333312 /nfs/dbraw/zinc/33/33/12/209333312.db2.gz LLWSHWXPHQQTEL-DQPVQCHKSA-N -2 0 398.423 4.034 40 10 GICBRL O=[N+]([O-])c1cccc(CN(Cc2cccc([N+](=O)[O-])c2[O-])c2ccccc2)c1[O-] ZINC000001679796 212254465 /nfs/dbraw/zinc/25/44/65/212254465.db2.gz MNFRIACHQSGILH-UHFFFAOYSA-N -2 0 395.371 4.121 40 10 GICBRL