smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2c([nH]c1=NNC=C1C(=O)N(C)C(=O)N(C)C1=O)n(C)c(=O)n(C)c2=O ZINC000001508588 209330515 /nfs/dbraw/zinc/33/05/15/209330515.db2.gz KVWLEQVDOMIZBS-UHFFFAOYSA-N 0 0 390.360 -2.179 50 10 GACARN CN1C(=O)C(=CNCCNC=C2C(=O)N(C)C(=O)N(C)C2=O)C(=O)N(C)C1=O ZINC000002255660 206404609 /nfs/dbraw/zinc/40/46/09/206404609.db2.gz PKAMNMQBWDVRIY-UHFFFAOYSA-N 0 0 392.372 -1.966 50 10 GACARN O=[N+]([O-])C(CO)(CO)[N+](=O)[N-]c1nonc1[N-][N+](=O)C(CO)(CO)[N+](=O)[O-] ZINC000225423015 209187131 /nfs/dbraw/zinc/18/71/31/209187131.db2.gz XSLOWBKKHSGJBQ-UHFFFAOYSA-N 0 0 398.245 -3.044 50 10 GACARN