smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Oc2c(OC)ccc3c2C[N@H+](C)CC3)c2c(c1O)C[NH+](C)CC2 ZINC000024717716 570390644 /nfs/dbraw/zinc/39/06/44/570390644.db2.gz UXTYMQATOWDJAV-UHFFFAOYSA-N 2 1 384.476 3.178 40 10 GGCBMP COc1cc(Oc2c(OC)ccc3c2C[N@@H+](C)CC3)c2c(c1O)C[NH+](C)CC2 ZINC000024717716 570390649 /nfs/dbraw/zinc/39/06/49/570390649.db2.gz UXTYMQATOWDJAV-UHFFFAOYSA-N 2 1 384.476 3.178 40 10 GGCBMP COc1cc(Oc2c(OC)ccc3c2C[NH+](C)CC3)c2c(c1O)C[N@@H+](C)CC2 ZINC000024717716 570390651 /nfs/dbraw/zinc/39/06/51/570390651.db2.gz UXTYMQATOWDJAV-UHFFFAOYSA-N 2 1 384.476 3.178 40 10 GGCBMP COc1cc(Oc2c(OC)ccc3c2C[NH+](C)CC3)c2c(c1O)C[N@H+](C)CC2 ZINC000024717716 570390654 /nfs/dbraw/zinc/39/06/54/570390654.db2.gz UXTYMQATOWDJAV-UHFFFAOYSA-N 2 1 384.476 3.178 40 10 GGCBMP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](Cc3ccccc3O)CC2)cs1 ZINC000225463166 560043390 /nfs/dbraw/zinc/04/33/90/560043390.db2.gz GWAFZXZIRNQUSS-UHFFFAOYSA-N 2 1 375.538 3.174 40 10 biogenic,in-vitro GGCBMP