smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)CCNc1ccc(NCC[NH+](CC)CC)c2c1C(=O)c1ncccc1C2=O ZINC000040465689 563103879 /nfs/dbraw/zinc/10/38/79/563103879.db2.gz VMFVEAAEOCHMCA-UHFFFAOYSA-N 1 3 437.588 3.364 10 10 IGCEHO CCN(CC)CCNc1ccc(NCC[NH+](CC)CC)c2c1C(=O)c1cccnc1C2=O ZINC000040465689 563103880 /nfs/dbraw/zinc/10/38/80/563103880.db2.gz VMFVEAAEOCHMCA-UHFFFAOYSA-N 1 3 437.588 3.364 10 10 IGCEHO CCN(CC)CCNc1ccc(NCC[NH+](CC)CC)c2c1C(=O)c1cnccc1C2=O ZINC000022040806 563025468 /nfs/dbraw/zinc/02/54/68/563025468.db2.gz RYVCCAAEYHBAFO-UHFFFAOYSA-N 1 3 437.588 3.364 10 10 IGCEHO CCN(CC)CCNc1ccc(NCC[NH+](CC)CC)c2c1C(=O)c1ccncc1C2=O ZINC000022040806 563025469 /nfs/dbraw/zinc/02/54/69/563025469.db2.gz RYVCCAAEYHBAFO-UHFFFAOYSA-N 1 3 437.588 3.364 10 10 IGCEHO