smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1c(C)n[nH]c1N=N[C@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000103668010 559156722 /nfs/dbraw/zinc/15/67/22/559156722.db2.gz ZYLRHQICOVSFPF-AMSVNNNPSA-N -2 2 416.441 3.798 50 10 HHCALL CCOC(=O)c1c(C)[nH]nc1N=N[C@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000103668010 559156723 /nfs/dbraw/zinc/15/67/23/559156723.db2.gz ZYLRHQICOVSFPF-AMSVNNNPSA-N -2 2 416.441 3.798 50 10 HHCALL CCCCn1c(O)c(C2=NN[C@H](c3ccc(N(CC)CC)cc3)C2)c(=O)[nH]c1=S ZINC000015834768 569012878 /nfs/dbraw/zinc/01/28/78/569012878.db2.gz QALQFNXBXUQAFB-INIZCTEOSA-N -2 2 415.563 3.696 50 10 HHCALL CCCCn1c(O)c(C2=NN[C@@H](c3ccc(N(CC)CC)cc3)C2)c(=O)[nH]c1=S ZINC000015834765 569012897 /nfs/dbraw/zinc/01/28/97/569012897.db2.gz QALQFNXBXUQAFB-MRXNPFEDSA-N -2 2 415.563 3.696 50 10 HHCALL