smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CCC#CC(C)(C)C)CCc1cccc2ccccc21 ZINC000027704788 171529380 /nfs/dbraw/zinc/52/93/80/171529380.db2.gz NEVOQWRQDBWGMK-UHFFFAOYSA-N 1 1 293.454 4.754 1 30 CJEFMO CCCCCCC[N@H+]1CCc2c(c3cc(C)ccc3n2C)C1 ZINC000071340742 176130332 /nfs/dbraw/zinc/13/03/32/176130332.db2.gz WOTHORAHOVRLDP-UHFFFAOYSA-N 1 1 298.474 4.815 1 30 CJEFMO CCCCCCCCNc1[nH]cc(-c2ccc(F)cc2)[nH+]1 ZINC000072111473 176317884 /nfs/dbraw/zinc/31/78/84/176317884.db2.gz IHZNSGJGAJIKAH-UHFFFAOYSA-N 1 1 289.398 4.988 1 30 CJEFMO