smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C=O)CC(=O)[O-] ZINC000644163866 1066232106 /nfs/dbraw/zinc/23/21/06/1066232106.db2.gz ZSZYUXBVDPGGGX-HWHRFOGPSA-N -1 1 611.612 -0.826 40 30 KBEBMM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C=O)CC(=O)[O-] ZINC000644163867 1066231897 /nfs/dbraw/zinc/23/18/97/1066231897.db2.gz ZSZYUXBVDPGGGX-JBJBFBLISA-N -1 1 611.612 -0.826 40 30 KBEBMM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C=O)CC(=O)[O-] ZINC000644163868 1066232212 /nfs/dbraw/zinc/23/22/12/1066232212.db2.gz ZSZYUXBVDPGGGX-RLLPEYFOSA-N -1 1 611.612 -0.826 40 30 KBEBMM