smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)ccc1[N-]S(C)(=O)=O ZINC000218594138 568625860 /nfs/dbraw/zinc/62/58/60/568625860.db2.gz SBNYFRNFKFVXQE-UHFFFAOYSA-N -1 3 437.543 1.820 40 70 IDIBHM CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217616100 557172071 /nfs/dbraw/zinc/17/20/71/557172071.db2.gz LATKKCRUUKXPIC-JKSUJKDBSA-N -1 3 440.525 1.820 40 70 IDIBHM CCS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000218638367 557212082 /nfs/dbraw/zinc/21/20/82/557212082.db2.gz UZDGLJGSHFMKFF-UHFFFAOYSA-N -1 3 437.543 1.901 40 70 IDIBHM