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)c1ccc(C=C2CCc3cnc4nn5c(nc(C)cc5C)[n+]4c32)cc1 ZINC000005173934 570249622 /nfs/dbraw/zinc/24/96/22/570249622.db2.gz TXIZRLVWBOZBAC-XMHGGMMESA-N 2 0 399.522 3.813 40 10 GHCBRP CCN(CC)c1ccc(C=C2CCc3cnc4nn5c(nc(C)cc5C)[n+]4c32)cc1 ZINC000103438869 570417178 /nfs/dbraw/zinc/41/71/78/570417178.db2.gz TXIZRLVWBOZBAC-RGEXLXHISA-N 2 0 399.522 3.813 40 10 GHCBRP CN1CC[NH+](Cc2cc(C[NH2+]C3(c4ccccc4F)CCCC3)ccc2O)CC1 ZINC000019590063 570264043 /nfs/dbraw/zinc/26/40/43/570264043.db2.gz RMYLFPZPIDTXQK-UHFFFAOYSA-N 2 0 397.538 3.838 40 10 GHCBRP