smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)c1cccnc1 ZINC000159538871 488785706 /nfs/dbraw/zinc/78/57/06/488785706.db2.gz QAWAZSIJWWLJBE-KRWDZBQOSA-N 1 3 361.490 0.686 10 70 FCIEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)c1cccnc1 ZINC000159538871 488785709 /nfs/dbraw/zinc/78/57/09/488785709.db2.gz QAWAZSIJWWLJBE-KRWDZBQOSA-N 1 3 361.490 0.686 10 70 FCIEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)c1cccnc1 ZINC000159538716 488785609 /nfs/dbraw/zinc/78/56/09/488785609.db2.gz QAWAZSIJWWLJBE-QGZVFWFLSA-N 1 3 361.490 0.686 10 70 FCIEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)c1cccnc1 ZINC000159538716 488785611 /nfs/dbraw/zinc/78/56/11/488785611.db2.gz QAWAZSIJWWLJBE-QGZVFWFLSA-N 1 3 361.490 0.686 10 70 FCIEHO