smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC[C@@H]2CN(Cc3nc4ccc(Br)cc4[nH]3)CCN2C1=O ZINC000160275937 530306587 /nfs/dbraw/zinc/30/65/87/530306587.db2.gz NYCTXULIYXBATQ-SNVBAGLBSA-N 0 1 378.230 0.468 10 70 GCIEMN O=C1NC[C@H]2CN(Cc3nc4ccc(Br)cc4[nH]3)CCN2C1=O ZINC000160276097 530306456 /nfs/dbraw/zinc/30/64/56/530306456.db2.gz NYCTXULIYXBATQ-JTQLQIEISA-N 0 1 378.230 0.468 10 70 GCIEMN