smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(F)c(C2CCC2)c1 217649275 538192626 /nfs/dbraw/zinc/19/26/26/538192626.db2.gz CZIPEGXQTMWTHQ-UHFFFAOYSA-N 0 0 164.223 3.402 50 70 AGIARN CCC[SiH](CCC)CCC 169743373 167095220 /nfs/dbraw/zinc/09/52/20/167095220.db2.gz ZHOVAWFVVBWEGQ-UHFFFAOYSA-N 0 0 158.361 3.444 50 70 AGIARN C[SiH](C(C)(C)C)C(C)(C)C 170009514 171166102 /nfs/dbraw/zinc/16/61/02/171166102.db2.gz OCMIJJAEIFPHAG-UHFFFAOYSA-N 0 0 158.361 3.444 50 70 AGIARN C[SiH](C)CCCc1ccccc1 169817594 171166128 /nfs/dbraw/zinc/16/61/28/171166128.db2.gz BCOGOMNWRFFKHQ-UHFFFAOYSA-N 0 0 178.351 3.106 50 70 AGIARN CC(=O)c1ccc(C2CCC2)cc1 159949600 344155143 /nfs/dbraw/zinc/15/51/43/344155143.db2.gz KIDXPQGKCCFELF-UHFFFAOYSA-N 0 0 174.243 3.157 50 70 in-vitro AGIARN