smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCC[NH+](C)C ZINC000216864511 525541733 /nfs/dbraw/zinc/54/17/33/525541733.db2.gz CFFWEOVDXRYGLB-UHFFFAOYSA-N 2 2 368.503 0.223 40 70 FCIBLP Cc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(S(N)(=O)=O)cc2)[nH+]1 ZINC000216850284 132271472 /nfs/dbraw/zinc/27/14/72/132271472.db2.gz OMVDMEXRKMZQQM-UHFFFAOYSA-N 2 2 362.459 0.928 40 70 FCIBLP