smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCCN(CCC[NH3+])C1c2ccccc2CCc2ccccc21 ZINC000040762637 213384202 /nfs/dbraw/zinc/38/42/02/213384202.db2.gz GTZZSZGETRRBFR-UHFFFAOYSA-N 2 3 337.511 3.264 1 0 EGAFHP NCCC[N@H+](CCCC[NH3+])C1c2ccccc2CCc2ccccc21 ZINC000040762637 213384204 /nfs/dbraw/zinc/38/42/04/213384204.db2.gz GTZZSZGETRRBFR-UHFFFAOYSA-N 2 3 337.511 3.264 1 0 EGAFHP NCCC[N@@H+](CCCC[NH3+])C1c2ccccc2CCc2ccccc21 ZINC000040762637 213384206 /nfs/dbraw/zinc/38/42/06/213384206.db2.gz GTZZSZGETRRBFR-UHFFFAOYSA-N 2 3 337.511 3.264 1 0 EGAFHP