smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](O)C[NH+](CCN(CC[N@@H+](C[C@@H](C)O)C[C@H](C)O)C[C@H](C)O)C[C@@H](C)O ZINC000022576478 570322263 /nfs/dbraw/zinc/32/22/63/570322263.db2.gz LWMWZNOCSCPBCH-NTZUZEMLSA-N 2 1 393.569 -1.204 40 0 GAABMP C[C@@H](O)CN(CC[NH+](C[C@@H](C)O)C[C@@H](C)O)CC[N@@H+](C[C@@H](C)O)C[C@H](C)O ZINC000022576485 570322179 /nfs/dbraw/zinc/32/21/79/570322179.db2.gz LWMWZNOCSCPBCH-NNIGNNQHSA-N 2 1 393.569 -1.204 40 0 GAABMP CN1CC[NH+](C[C@]2(O)CCCN(C(=O)CN3CC[NH+](CCO)CC3)CC2)CC1 ZINC000257242464 570768932 /nfs/dbraw/zinc/76/89/32/570768932.db2.gz ICRKANZTUTWDSP-FQEVSTJZSA-N 2 1 397.564 -1.413 40 0 GAABMP CN1CC[NH+](C[C@@]2(O)CCCN(C(=O)CN3CC[NH+](CCO)CC3)CC2)CC1 ZINC000257242465 206164865 /nfs/dbraw/zinc/16/48/65/206164865.db2.gz ICRKANZTUTWDSP-HXUWFJFHSA-N 2 1 397.564 -1.413 40 0 GAABMP