smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCOCC2)ccc1C[N@H+]1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1 ZINC000019706476 210284552 /nfs/dbraw/zinc/28/45/52/210284552.db2.gz UQDOJIRIOCYCFG-HXUWFJFHSA-N 2 0 396.539 1.906 40 10 GDCBRP Cc1cc(N2CCOCC2)ccc1C[N@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1 ZINC000019706475 571032266 /nfs/dbraw/zinc/03/22/66/571032266.db2.gz UQDOJIRIOCYCFG-FQEVSTJZSA-N 2 0 396.539 1.906 40 10 GDCBRP C[NH2+]CCNc1ccc(O)c2c1C(=O)c1c(O)ccc(NCC[NH2+]C)c1C2=O ZINC000166177542 570354395 /nfs/dbraw/zinc/35/43/95/570354395.db2.gz ROZRZRSHNGDJJJ-UHFFFAOYSA-N 2 0 384.436 1.136 40 10 in-vitro GDCBRP