smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2C(=O)NC(=O)C(=CNCCCC(=O)[O-])C2=O)c(C)c1 ZINC000100958874 441153548 /nfs/dbraw/zinc/15/35/48/441153548.db2.gz QIWOEIUVANNCLJ-XFXZXTDPSA-N -1 2 345.355 1.225 40 10 EDCBLM O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000059475166 441228821 /nfs/dbraw/zinc/22/88/21/441228821.db2.gz RNWJMVVDLANJJL-UKTHLTGXSA-N -1 2 325.280 1.762 40 10 EDCBLM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O ZINC000059475166 441228824 /nfs/dbraw/zinc/22/88/24/441228824.db2.gz RNWJMVVDLANJJL-UKTHLTGXSA-N -1 2 325.280 1.762 40 10 EDCBLM Cc1ccc(N2C(=O)NC(=O)C(=CNCCCC(=O)[O-])C2=O)c(C)c1 ZINC000019596822 441258226 /nfs/dbraw/zinc/25/82/26/441258226.db2.gz QIWOEIUVANNCLJ-FMIVXFBMSA-N -1 2 345.355 1.225 40 10 EDCBLM