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)[SiH](c1ccccn1)C(C)C 170167374 166624766 /nfs/dbraw/zinc/62/47/66/166624766.db2.gz XPUAXJBYLPPFKA-UHFFFAOYSA-N 0 0 193.366 2.336 50 70 AEIARN C[SiH](C)Cc1ccccc1 169746874 171165908 /nfs/dbraw/zinc/16/59/08/171165908.db2.gz USQQZWZBVGCDBX-UHFFFAOYSA-N 0 0 150.297 2.255 50 70 AEIARN C[SiH](C)C(C)(C)C 169743649 171166259 /nfs/dbraw/zinc/16/62/59/171166259.db2.gz QCIWZIYBBNEPKB-UHFFFAOYSA-N 0 0 116.280 2.273 50 70 AEIARN C[SiH](C)C#CC(C)(C)C 207726349 171212029 /nfs/dbraw/zinc/21/20/29/171212029.db2.gz OEGUWEPWVIETEF-UHFFFAOYSA-N 0 0 140.302 2.062 50 70 AEIARN Cc1ccc([C@@H]2OC(=O)CS2)cc1 216694632 344399043 /nfs/dbraw/zinc/39/90/43/344399043.db2.gz RBGQLDUMNFYWCE-SNVBAGLBSA-N 0 0 194.255 2.284 50 70 AEIARN Cc1nc2c(F)cccc2cc1O 216767894 344399070 /nfs/dbraw/zinc/39/90/70/344399070.db2.gz SKPNZHYBYBQBNO-UHFFFAOYSA-N 0 0 177.178 2.388 50 70 AEIARN Cc1ccc([C@H]2OC(=O)CS2)cc1 216694677 344399093 /nfs/dbraw/zinc/39/90/93/344399093.db2.gz RBGQLDUMNFYWCE-JTQLQIEISA-N 0 0 194.255 2.284 50 70 AEIARN Cc1cc(C)n([C@H]2CCCCO2)n1 217406706 344401894 /nfs/dbraw/zinc/40/18/94/344401894.db2.gz YWAVFDMTWPVVHO-SNVBAGLBSA-N 0 0 180.251 2.199 50 70 AEIARN Cc1cc(C)n([C@@H]2CCCCO2)n1 217406627 344401912 /nfs/dbraw/zinc/40/19/12/344401912.db2.gz YWAVFDMTWPVVHO-JTQLQIEISA-N 0 0 180.251 2.199 50 70 AEIARN CCCc1c(O)cccc1C(=O)OC 218074039 344409706 /nfs/dbraw/zinc/40/97/06/344409706.db2.gz DKZHMOCSQOLTEC-UHFFFAOYSA-N 0 0 194.230 2.131 50 70 AEIARN