smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)N[C@H](C(=O)N1CCN(CCO)CC1)C2 ZINC000049171957 519347133 /nfs/dbraw/zinc/34/71/33/519347133.db2.gz ADDKRQKAOUGRFL-GOTSBHOMSA-N 0 3 436.600 2.403 10 30 IEEEHN C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCc1ccc(F)c(F)c1)C2 ZINC000091897688 519290106 /nfs/dbraw/zinc/29/01/06/519290106.db2.gz AOPIDFSZMWBALM-QGZVFWFLSA-N 0 3 429.515 2.382 10 30 IEEEHN