smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000216867386 557159683 /nfs/dbraw/zinc/15/96/83/557159683.db2.gz BCKSWJKFUVQVGT-FQEVSTJZSA-N 2 2 436.622 2.007 40 70 IEIBLP CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000216867386 557159686 /nfs/dbraw/zinc/15/96/86/557159686.db2.gz BCKSWJKFUVQVGT-FQEVSTJZSA-N 2 2 436.622 2.007 40 70 IEIBLP CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000216867359 557159758 /nfs/dbraw/zinc/15/97/58/557159758.db2.gz BCKSWJKFUVQVGT-HXUWFJFHSA-N 2 2 436.622 2.007 40 70 IEIBLP CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000216867359 557159761 /nfs/dbraw/zinc/15/97/61/557159761.db2.gz BCKSWJKFUVQVGT-HXUWFJFHSA-N 2 2 436.622 2.007 40 70 IEIBLP