smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCn1c(=O)c2ccc(NCC[NH+](C)C)c3c(=O)c4cc(O)ccc4n(c1=O)c23 ZINC000003842151 562939104 /nfs/dbraw/zinc/93/91/04/562939104.db2.gz LZUSOTZODKLCQV-UHFFFAOYSA-N 1 1 437.500 0.806 1 5 ICBFMO CN(C)CCn1c(=O)c2ccc(NCC[NH+](C)C)c3c2n(c2ccc(N)cc2c3=O)c1=O ZINC000003842154 562939093 /nfs/dbraw/zinc/93/90/93/562939093.db2.gz HVGHXUABOZQFRM-UHFFFAOYSA-N 1 1 436.516 0.683 1 5 ICBFMO CN(C)CCn1c(=O)c2ccc(NCC[NH2+]CCO)c3c(=O)c4ccccc4n(c1=O)c23 ZINC000005581649 562944336 /nfs/dbraw/zinc/94/43/36/562944336.db2.gz KRVHAHXMDDSFRQ-UHFFFAOYSA-N 1 1 437.500 0.121 1 5 ICBFMO