smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC000013557716 581098092 /nfs/dbraw/zinc/09/80/92/581098092.db2.gz WCLPXKIYRNURPD-KFGODFMUSA-N 2 0 420.558 0.093 1 30 HCEFRP NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2C[NH2+]1 ZINC000013744131 581097209 /nfs/dbraw/zinc/09/72/09/581097209.db2.gz YDZKAPODFAOHFP-RZFLPCETSA-N 2 0 420.558 0.093 1 30 HCEFRP CC[C@@H](C)[C@@H](C[NH2+][C@H](C(=O)N[C@H]1CCOC1=O)[C@H](C)CC)NC[C@@H]([NH3+])CS ZINC000026636828 581099314 /nfs/dbraw/zinc/09/93/14/581099314.db2.gz SSUQYMRCKYEGEO-IKIFYQGPSA-N 2 0 402.605 0.684 1 30 HCEFRP NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[NH2+]1 ZINC000027517685 581098068 /nfs/dbraw/zinc/09/80/68/581098068.db2.gz YDZKAPODFAOHFP-ADHGMGHFSA-N 2 0 420.558 0.093 1 30 HCEFRP