smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc(N3CCOCC3)n(CCC[NH2+]C[C@@H](O)c3ccc(O)c(O)c3)c2c(=O)n(C)c1=O ZINC000001566359 194128074 /nfs/dbraw/zinc/12/80/74/194128074.db2.gz XTDJYRRJDWTRSJ-QGZVFWFLSA-N 1 0 474.518 -0.605 40 10 JBCBRO Cn1c2nc(N3CCOCC3)n(CCC[NH2+]C[C@H](O)c3ccc(O)c(O)c3)c2c(=O)n(C)c1=O ZINC000017107037 527122925 /nfs/dbraw/zinc/12/29/25/527122925.db2.gz XTDJYRRJDWTRSJ-KRWDZBQOSA-N 1 0 474.518 -0.605 40 10 JBCBRO