smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(C)c(-c2cccs2)c1[N+]([O-])=NC#N ZINC000071333890 187275515 /nfs/dbraw/zinc/27/55/15/187275515.db2.gz FSDFEIYUTNUOFD-QINSGFPZSA-N 0 3 247.283 2.532 1 10 BFCFHN C[N@H+]1Cc2c([O-])cccc2[C@@H](c2ccccc2)C1 ZINC000095563112 173199856 /nfs/dbraw/zinc/19/98/56/173199856.db2.gz AUOGWJKRNSZLMZ-CQSZACIVSA-N 0 3 239.318 2.970 1 10 BFCFHN C[N@@H+]1Cc2c([O-])cccc2[C@@H](c2ccccc2)C1 ZINC000095563112 173199859 /nfs/dbraw/zinc/19/98/59/173199859.db2.gz AUOGWJKRNSZLMZ-CQSZACIVSA-N 0 3 239.318 2.970 1 10 BFCFHN C[N@H+]1Cc2c([O-])cccc2[C@H](c2ccccc2)C1 ZINC000095563111 173199884 /nfs/dbraw/zinc/19/98/84/173199884.db2.gz AUOGWJKRNSZLMZ-AWEZNQCLSA-N 0 3 239.318 2.970 1 10 BFCFHN C[N@@H+]1Cc2c([O-])cccc2[C@H](c2ccccc2)C1 ZINC000095563111 173199887 /nfs/dbraw/zinc/19/98/87/173199887.db2.gz AUOGWJKRNSZLMZ-AWEZNQCLSA-N 0 3 239.318 2.970 1 10 BFCFHN