smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)cc1 ZINC001144905009 1068052033 /nfs/dbraw/zinc/05/20/33/1068052033.db2.gz QSQBLHISOFQOQS-FGTMMUONSA-N 1 1 425.482 -2.032 20 10 IACDMO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)cc1 ZINC001144905010 1068051998 /nfs/dbraw/zinc/05/19/98/1068051998.db2.gz QSQBLHISOFQOQS-KZNAEPCWSA-N 1 1 425.482 -2.032 20 10 IACDMO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)cc1 ZINC001144905012 1068052273 /nfs/dbraw/zinc/05/22/73/1068052273.db2.gz QSQBLHISOFQOQS-OKZBNKHCSA-N 1 1 425.482 -2.032 20 10 IACDMO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)cc1 ZINC001144905014 1068052139 /nfs/dbraw/zinc/05/21/39/1068052139.db2.gz QSQBLHISOFQOQS-RCCFBDPRSA-N 1 1 425.482 -2.032 20 10 IACDMO