smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+]1CCC2(CC1)C[C@H](NCc1ccc(C)s1)c1ccccc1O2 ZINC000096242776 571072938 /nfs/dbraw/zinc/07/29/38/571072938.db2.gz NYHJTFFLOJMVDC-FQEVSTJZSA-N 1 3 368.546 4.691 40 30 FJEBHO C=CCN1CCC2(CC1)C[C@H]([NH2+]Cc1ccc(C)s1)c1ccccc1O2 ZINC000096242776 571072940 /nfs/dbraw/zinc/07/29/40/571072940.db2.gz NYHJTFFLOJMVDC-FQEVSTJZSA-N 1 3 368.546 4.691 40 30 FJEBHO C=CC[NH+]1CCC2(CC1)C[C@@H](NCc1ccc(C)s1)c1ccccc1O2 ZINC000096242775 571072898 /nfs/dbraw/zinc/07/28/98/571072898.db2.gz NYHJTFFLOJMVDC-HXUWFJFHSA-N 1 3 368.546 4.691 40 30 FJEBHO C=CCN1CCC2(CC1)C[C@@H]([NH2+]Cc1ccc(C)s1)c1ccccc1O2 ZINC000096242775 571072901 /nfs/dbraw/zinc/07/29/01/571072901.db2.gz NYHJTFFLOJMVDC-HXUWFJFHSA-N 1 3 368.546 4.691 40 30 FJEBHO