smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CNC(=O)Cn1cc([N+](=O)[O-])cn1)NCCN1CCCCC1 ZINC000818027172 583733875 /nfs/dbraw/zinc/73/38/75/583733875.db2.gz SMAMLNWWSWPRFH-UHFFFAOYSA-N 0 3 338.368 -0.490 50 5 EBBAHN O=C1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C2(CNC2)CN1 ZINC000725373166 650036802 /nfs/dbraw/zinc/03/68/02/650036802.db2.gz PAXBAFRGGJBPNT-UHFFFAOYSA-N 0 3 326.334 -0.943 50 5 EBBAHN