smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCC3(CCC[N@@H+]3Cc3ccccc3[O-])CC2)c2ccccc2[nH+]1 ZINC000072422504 136169808 /nfs/dbraw/zinc/16/98/08/136169808.db2.gz OSYYGNSMROAAFT-UHFFFAOYSA-N 1 3 387.527 4.884 50 10 GJCAHO Cc1cc(N2CCC3(CCC[N@H+]3Cc3ccccc3[O-])CC2)c2ccccc2[nH+]1 ZINC000072422504 136169809 /nfs/dbraw/zinc/16/98/09/136169809.db2.gz OSYYGNSMROAAFT-UHFFFAOYSA-N 1 3 387.527 4.884 50 10 GJCAHO COc1ccc2ccc([O-])c(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)c2c1 ZINC000032926902 570938394 /nfs/dbraw/zinc/93/83/94/570938394.db2.gz XLHBMGQRULQJMR-UHFFFAOYSA-N 1 3 382.548 4.642 50 10 GJCAHO