smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CC[C@@H](C)[NH2+]c1ccc(Nc2ccccc2)cc1 ZINC000005138238 170069998 /nfs/dbraw/zinc/06/99/98/170069998.db2.gz UHJVLUYSDYOULM-MRXNPFEDSA-N 1 2 282.431 5.667 10 10 CKCELO CC(C)CC[C@H](C)[NH2+]c1ccc(Nc2ccccc2)cc1 ZINC000005138241 170069928 /nfs/dbraw/zinc/06/99/28/170069928.db2.gz UHJVLUYSDYOULM-INIZCTEOSA-N 1 2 282.431 5.667 10 10 CKCELO