smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c2c(nc(N)[n-]c2=O)n([C@H]2CN(CCCC)C[C@@H](CO)O2)c1=O ZINC000027184685 206253013 /nfs/dbraw/zinc/25/30/13/206253013.db2.gz WHHJHYWPGGBJMV-NWDGAFQWSA-N -1 1 378.433 -0.354 1 30 GBEFMM C=CCn1c2c(nc(N)[n-]c2=O)n([C@H]2CN(CCCC)C[C@H](CO)O2)c1=O ZINC000027184692 209177465 /nfs/dbraw/zinc/17/74/65/209177465.db2.gz WHHJHYWPGGBJMV-VXGBXAGGSA-N -1 1 378.433 -0.354 1 30 GBEFMM C=CCn1c2c(nc(N)[n-]c2=O)n([C@@H]2CN(CCCC)C[C@@H](CO)O2)c1=O ZINC000040709746 206195854 /nfs/dbraw/zinc/19/58/54/206195854.db2.gz WHHJHYWPGGBJMV-RYUDHWBXSA-N -1 1 378.433 -0.354 1 30 GBEFMM