smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC[NH+](C)C)c1cc(-c2cccnc2)[nH+]c2ccccc21 ZINC000005840851 181288116 /nfs/dbraw/zinc/28/81/16/181288116.db2.gz MLHSFWKDWVSUMO-UHFFFAOYSA-N 2 1 320.440 3.685 1 0 DHAFMP CCN(CC[NH+](C)C)c1cc(-c2ccncc2)[nH+]c2ccccc21 ZINC000005840857 181288176 /nfs/dbraw/zinc/28/81/76/181288176.db2.gz OOOFPXGKMQROHI-UHFFFAOYSA-N 2 1 320.440 3.685 1 0 DHAFMP Clc1ccc2c(NCC34CCC[NH+]3CCC4)cc[nH+]c2c1 ZINC000040835659 183140255 /nfs/dbraw/zinc/14/02/55/183140255.db2.gz GXQUGZKOKBJQQC-UHFFFAOYSA-N 2 1 301.821 3.929 1 0 DHAFMP Nc1c2ccccc2[nH+]c2c1[C@@H]([NH2+]Cc1ccccc1)CCC2 ZINC000003802295 181046070 /nfs/dbraw/zinc/04/60/70/181046070.db2.gz XDBVTWLIACMBHW-KRWDZBQOSA-N 2 1 303.409 3.984 1 0 DHAFMP