smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 ZINC000003941269 194367012 /nfs/dbraw/zinc/36/70/12/194367012.db2.gz VLNHDKDBGWXJEE-GYHUNEDQSA-N 1 3 471.561 2.878 10 0 in-vivo JFAEHO