smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)NCC(=O)NCC[N@+]1(C)CCc2ccccc2C1 ZINC000253648689 717166694 /nfs/dbraw/zinc/16/66/94/717166694.db2.gz WSYGLPLBOWBQBV-QHCPKHFHSA-P 2 0 348.491 0.128 1 30 ECEFRP [NH3+]CCCNCCC[NH2+]CCCNC1=CC(=O)c2ccccc2C1=O ZINC000101615236 219145922 /nfs/dbraw/zinc/14/59/22/219145922.db2.gz AYQOATVYKWKOHH-UHFFFAOYSA-N 2 0 344.459 0.847 1 30 ECEFRP Cn1cc[n+](C)c1COc1ccc(C=NNC2=[NH+]CCCN2)cc1 ZINC000026838691 202149392 /nfs/dbraw/zinc/14/93/92/202149392.db2.gz GKOBARRPMUTLMY-UDWIEESQSA-N 2 0 327.412 0.701 1 30 ECEFRP C[N+](C)(C)CC(=O)NCC(=O)NCC[N+]1(C)CCc2ccccc2C1 ZINC000039064274 717126860 /nfs/dbraw/zinc/12/68/60/717126860.db2.gz WSYGLPLBOWBQBV-UHFFFAOYSA-P 2 0 348.491 0.128 1 30 ECEFRP C[N+](C)(C)CC(=O)NCC(=O)NCC[N@@+]1(C)CCc2ccccc2C1 ZINC000253648685 717166619 /nfs/dbraw/zinc/16/66/19/717166619.db2.gz WSYGLPLBOWBQBV-HSZRJFAPSA-P 2 0 348.491 0.128 1 30 ECEFRP