smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1-n1cc([C@@H](C)NC(=O)CN(C)C2CCN(C)CC2)cn1 ZINC000218172794 570327155 /nfs/dbraw/zinc/32/71/55/570327155.db2.gz BJRQUXCJNSBSPK-MRXNPFEDSA-N 0 3 385.512 2.084 50 70 GEIAHN CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000218095495 570325397 /nfs/dbraw/zinc/32/53/97/570325397.db2.gz XFQCWTNYMYZGHT-CVEARBPZSA-N 0 3 375.296 2.388 50 70 GEIAHN COc1ccccc1-n1cc([C@H](C)NC(=O)CN(C)C2CCN(C)CC2)cn1 ZINC000218172880 570327208 /nfs/dbraw/zinc/32/72/08/570327208.db2.gz BJRQUXCJNSBSPK-INIZCTEOSA-N 0 3 385.512 2.084 50 70 GEIAHN