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)c(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(C)[nH+]1 ZINC001600163019 970771883 /nfs/dbraw/zinc/77/18/83/970771883.db2.gz CAYQUKWLDSJFME-CQSZACIVSA-N 0 2 319.405 3.116 20 0 DGADLN O=C([O-])c1ccc(CNc2nc3ccccc3n3c[nH+]cc23)cc1 ZINC001595233768 949377696 /nfs/dbraw/zinc/37/76/96/949377696.db2.gz OQOOKKFRTZBSSM-UHFFFAOYSA-N 0 2 318.336 3.193 20 0 DGADLN O=C([O-])[C@H](C1CC1)[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC001594840138 954072944 /nfs/dbraw/zinc/07/29/44/954072944.db2.gz ZBMZQNIMMYZPLK-STQMWFEESA-N 0 2 310.191 3.059 20 0 DGADLN O=C([O-])[C@H](C1CC1)[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC001594840138 954072956 /nfs/dbraw/zinc/07/29/56/954072956.db2.gz ZBMZQNIMMYZPLK-STQMWFEESA-N 0 2 310.191 3.059 20 0 DGADLN C[C@@H]1c2ccc(Cl)n2CC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC001589418559 954581055 /nfs/dbraw/zinc/58/10/55/954581055.db2.gz VIYGILWOIMERPP-LLVKDONJSA-N 0 2 304.777 3.417 20 0 DGADLN C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC001589418559 954581061 /nfs/dbraw/zinc/58/10/61/954581061.db2.gz VIYGILWOIMERPP-LLVKDONJSA-N 0 2 304.777 3.417 20 0 DGADLN CN(Cc1ccccc1Br)c1ccc(C(=O)[O-])c[nH+]1 ZINC000048892747 957468604 /nfs/dbraw/zinc/46/86/04/957468604.db2.gz FFCUHCPJZDUZAU-UHFFFAOYSA-N 0 2 321.174 3.179 20 0 DGADLN Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001594288196 957793767 /nfs/dbraw/zinc/79/37/67/957793767.db2.gz CZDOCFQSAZROQY-UHFFFAOYSA-N 0 2 321.336 3.131 20 0 DGADLN O=C([O-])c1ccc(NCc2cc(Br)cs2)[nH+]c1 ZINC000083684362 957831808 /nfs/dbraw/zinc/83/18/08/957831808.db2.gz JEWFVQHSADQGKI-UHFFFAOYSA-N 0 2 313.176 3.216 20 0 DGADLN COc1ccccc1Cc1cn(Cc2ccc(C(=O)[O-])cc2)c[nH+]1 ZINC001594146341 958768896 /nfs/dbraw/zinc/76/88/96/958768896.db2.gz HGWOFIRABFTLTG-UHFFFAOYSA-N 0 2 322.364 3.229 20 0 DGADLN Cc1ccc2[nH+]cc(CN3CC[C@@H](C(=O)[O-])c4ccccc43)n2c1 ZINC001574383466 961124210 /nfs/dbraw/zinc/12/42/10/961124210.db2.gz GCGHFTLEXGTGKB-MRXNPFEDSA-N 0 2 321.380 3.221 20 0 DGADLN Cc1cc(C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)oc1C(=O)[O-] ZINC001334025206 961746178 /nfs/dbraw/zinc/74/61/78/961746178.db2.gz IMUHOMOLICDZCS-SECBINFHSA-N 0 2 320.414 3.157 20 0 DGADLN O=C([O-])C[N@@H+](Cc1cc(-c2ccccc2Cl)on1)CC1CC1 ZINC001574716513 962725498 /nfs/dbraw/zinc/72/54/98/962725498.db2.gz SSYSZGSXHAENJW-UHFFFAOYSA-N 0 2 320.776 3.292 20 0 DGADLN O=C([O-])C[N@H+](Cc1cc(-c2ccccc2Cl)on1)CC1CC1 ZINC001574716513 962725512 /nfs/dbraw/zinc/72/55/12/962725512.db2.gz SSYSZGSXHAENJW-UHFFFAOYSA-N 0 2 320.776 3.292 20 0 DGADLN COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314710415 963794846 /nfs/dbraw/zinc/79/48/46/963794846.db2.gz WHNIQNDUDJTRAB-UWVGGRQHSA-N 0 2 306.387 3.262 20 0 DGADLN COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315332443 963882889 /nfs/dbraw/zinc/88/28/89/963882889.db2.gz NBOZRVAFNBNTSO-RKDXNWHRSA-N 0 2 324.377 3.401 20 0 DGADLN CC(C)c1[nH]c(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1C(=O)[O-] ZINC001591918904 976387114 /nfs/dbraw/zinc/38/71/14/976387114.db2.gz ZYUDDNWHDHNEMV-UHFFFAOYSA-N 0 2 319.405 3.412 20 0 DGADLN CC(C)c1cnc(C[NH2+][C@@](C)(CC(=O)[O-])c2cccc(F)c2)o1 ZINC001592003573 976662802 /nfs/dbraw/zinc/66/28/02/976662802.db2.gz XTYMSOPXAZVREW-KRWDZBQOSA-N 0 2 320.364 3.417 20 0 DGADLN C[C@@H](Cc1ccccc1Cl)Nc1cc(CC(=O)[O-])cc[nH+]1 ZINC001592896076 979794822 /nfs/dbraw/zinc/79/48/22/979794822.db2.gz GMPLZYQTHYBAGI-NSHDSACASA-N 0 2 304.777 3.405 20 0 DGADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1cn(C2CC2)cn1 ZINC001595362781 980774463 /nfs/dbraw/zinc/77/44/63/980774463.db2.gz PFVUDASEWVQUHA-QGZVFWFLSA-N 0 2 313.401 3.256 20 0 DGADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cn(C2CC2)cn1 ZINC001595362781 980774465 /nfs/dbraw/zinc/77/44/65/980774465.db2.gz PFVUDASEWVQUHA-QGZVFWFLSA-N 0 2 313.401 3.256 20 0 DGADLN CCC1CCC([NH2+]Cc2nc(C(C)C)ns2)(C(=O)[O-])CC1 ZINC001595428399 981048719 /nfs/dbraw/zinc/04/87/19/981048719.db2.gz PGFUANICLIYMBF-UHFFFAOYSA-N 0 2 311.451 3.175 20 0 DGADLN CC[C@H](C)[C@@H]([NH2+][C@@H](c1nccs1)c1ccccc1)C(=O)[O-] ZINC001594918340 982451579 /nfs/dbraw/zinc/45/15/79/982451579.db2.gz VRCREDUQASWDNQ-IACUBPJLSA-N 0 2 304.415 3.321 20 0 DGADLN Cc1oc(C[N@H+](C)Cc2cnc(C(C)(C)C)nc2)cc1C(=O)[O-] ZINC001119598341 983000002 /nfs/dbraw/zinc/00/00/02/983000002.db2.gz YRNCQPJRDNPLKU-UHFFFAOYSA-N 0 2 317.389 3.006 20 0 DGADLN Cc1oc(C[N@@H+](C)Cc2cnc(C(C)(C)C)nc2)cc1C(=O)[O-] ZINC001119598341 982999998 /nfs/dbraw/zinc/99/99/98/982999998.db2.gz YRNCQPJRDNPLKU-UHFFFAOYSA-N 0 2 317.389 3.006 20 0 DGADLN CCN(CC)c1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)c[nH+]1 ZINC001596288571 983708354 /nfs/dbraw/zinc/70/83/54/983708354.db2.gz PKPBJSOCIBLSTQ-UMVBOHGHSA-N 0 2 305.422 3.229 20 0 DGADLN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2Cl)C[C@H](C2CC2)O1 ZINC001594535610 986147621 /nfs/dbraw/zinc/14/76/21/986147621.db2.gz NJCPUVMZPMHEQL-ZUZCIYMTSA-N 0 2 309.793 3.038 20 0 DGADLN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C[C@H](C2CC2)O1 ZINC001594535610 986147628 /nfs/dbraw/zinc/14/76/28/986147628.db2.gz NJCPUVMZPMHEQL-ZUZCIYMTSA-N 0 2 309.793 3.038 20 0 DGADLN C[C@H]1C[N@H+](Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@H]1c1ccccc1 ZINC001594548739 986242458 /nfs/dbraw/zinc/24/24/58/986242458.db2.gz XNGUDVXWGRKNAO-KPZWWZAWSA-N 0 2 321.380 3.454 20 0 DGADLN C[C@H]1C[N@@H+](Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@H]1c1ccccc1 ZINC001594548739 986242466 /nfs/dbraw/zinc/24/24/66/986242466.db2.gz XNGUDVXWGRKNAO-KPZWWZAWSA-N 0 2 321.380 3.454 20 0 DGADLN CCC(=O)Nc1cccc(CNc2ccc(C)c(C(=O)[O-])[nH+]2)c1 ZINC001594715589 987186837 /nfs/dbraw/zinc/18/68/37/987186837.db2.gz PQDIMXMRNWKNIS-UHFFFAOYSA-N 0 2 313.357 3.049 20 0 DGADLN CCc1[nH]c(C[NH2+][C@@H](CF)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001597391289 987620035 /nfs/dbraw/zinc/62/00/35/987620035.db2.gz JPRHCYCLCRMZPY-HNNXBMFYSA-N 0 2 308.328 3.215 20 0 DGADLN CCc1cc(OCc2cccc(C(=O)[O-])n2)c2ccccc2[nH+]1 ZINC001597487256 987992776 /nfs/dbraw/zinc/99/27/76/987992776.db2.gz KMVVQWJERMVNIP-UHFFFAOYSA-N 0 2 308.337 3.469 20 0 DGADLN CC(C)(C)n1c2ccccc2[nH+]c1NCc1ccc(C(=O)[O-])[nH]1 ZINC001590588594 990238472 /nfs/dbraw/zinc/23/84/72/990238472.db2.gz HFPUWGMCWXDUPY-UHFFFAOYSA-N 0 2 312.373 3.430 20 0 DGADLN CN(C)c1ccc(F)cc1C[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC001598322799 991334907 /nfs/dbraw/zinc/33/49/07/991334907.db2.gz YCHQYTBXTYRKPF-UHFFFAOYSA-N 0 2 314.360 3.106 20 0 DGADLN CN(C)c1ccc(F)cc1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC001598322799 991334913 /nfs/dbraw/zinc/33/49/13/991334913.db2.gz YCHQYTBXTYRKPF-UHFFFAOYSA-N 0 2 314.360 3.106 20 0 DGADLN CN(C)c1ccccc1C[N@H+](C)[C@@H](C(=O)[O-])c1ccsc1 ZINC001598342130 991408588 /nfs/dbraw/zinc/40/85/88/991408588.db2.gz HDVQQQJHJOZRTH-OAHLLOKOSA-N 0 2 304.415 3.072 20 0 DGADLN CN(C)c1ccccc1C[N@@H+](C)[C@@H](C(=O)[O-])c1ccsc1 ZINC001598342130 991408591 /nfs/dbraw/zinc/40/85/91/991408591.db2.gz HDVQQQJHJOZRTH-OAHLLOKOSA-N 0 2 304.415 3.072 20 0 DGADLN COc1ccc2ccc(N[C@H]3C[C@H]4C[C@@H](C(=O)[O-])C[C@H]43)[nH+]c2c1 ZINC001599635621 994283797 /nfs/dbraw/zinc/28/37/97/994283797.db2.gz BEXADUPMKTUEPT-NCZKRNLISA-N 0 2 312.369 3.155 20 0 DGADLN C[C@@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1cc(C(=O)[O-])co1 ZINC001593298301 994712489 /nfs/dbraw/zinc/71/24/89/994712489.db2.gz HUAVXHMCQUMPIO-LLVKDONJSA-N 0 2 320.364 3.029 20 0 DGADLN C[C@H]([NH2+]Cc1cncc(C(=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC001593311119 994777915 /nfs/dbraw/zinc/77/79/15/994777915.db2.gz NEMDUBULMXTDDI-LBPRGKRZSA-N 0 2 323.352 3.286 20 0 DGADLN COc1cccc(C[N@H+](C)[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001599670606 994805260 /nfs/dbraw/zinc/80/52/60/994805260.db2.gz ATPIHMVGJQVGLM-SNVBAGLBSA-N 0 2 306.387 3.043 20 0 DGADLN COc1cccc(C[N@@H+](C)[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001599670606 994805269 /nfs/dbraw/zinc/80/52/69/994805269.db2.gz ATPIHMVGJQVGLM-SNVBAGLBSA-N 0 2 306.387 3.043 20 0 DGADLN C[C@@H]([NH2+][C@@H](C)c1nc(C(=O)[O-])co1)c1ccc(Cl)s1 ZINC001593353829 994984802 /nfs/dbraw/zinc/98/48/02/994984802.db2.gz GJMGJNPRQPWLIO-RQJHMYQMSA-N 0 2 300.767 3.500 20 0 DGADLN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC001593704053 996183279 /nfs/dbraw/zinc/18/32/79/996183279.db2.gz YDHYWZOVZRNVFN-NXEZZACHSA-N 0 2 306.387 3.301 20 0 DGADLN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC001593704053 996183283 /nfs/dbraw/zinc/18/32/83/996183283.db2.gz YDHYWZOVZRNVFN-NXEZZACHSA-N 0 2 306.387 3.301 20 0 DGADLN COCC[C@H](Nc1ccc(C)c(C(=O)[O-])[nH+]1)c1ccc(C)o1 ZINC001599216866 997597237 /nfs/dbraw/zinc/59/72/37/997597237.db2.gz RIOBNXYNBVRREM-LBPRGKRZSA-N 0 2 304.346 3.179 20 0 DGADLN COCC[C@@H]([NH2+][C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(C)o1 ZINC001599217247 997605067 /nfs/dbraw/zinc/60/50/67/997605067.db2.gz CLOVDDXFYRNOQJ-ZBFHGGJFSA-N 0 2 321.348 3.220 20 0 DGADLN COc1ccc([C@H]2CCN(c3ccc(C)c(C(=O)[O-])[nH+]3)C2)cc1 ZINC001599540645 997835847 /nfs/dbraw/zinc/83/58/47/997835847.db2.gz YXKKZWQGACZYPW-AWEZNQCLSA-N 0 2 312.369 3.091 20 0 DGADLN Cc1cc(C[N@@H+]2CCC(C)=C(Br)C2)oc1C(=O)[O-] ZINC001594090689 998038291 /nfs/dbraw/zinc/03/82/91/998038291.db2.gz PLFNCTPOHVULSU-UHFFFAOYSA-N 0 2 314.179 3.161 20 0 DGADLN Cc1cc(C[N@H+]2CCC(C)=C(Br)C2)oc1C(=O)[O-] ZINC001594090689 998038301 /nfs/dbraw/zinc/03/83/01/998038301.db2.gz PLFNCTPOHVULSU-UHFFFAOYSA-N 0 2 314.179 3.161 20 0 DGADLN COc1cc2c(cc1F)C[N@H+](Cc1csc(C(=O)[O-])c1)CC2 ZINC001599464192 998330537 /nfs/dbraw/zinc/33/05/37/998330537.db2.gz AMMZUPRDEWHRML-UHFFFAOYSA-N 0 2 321.373 3.152 20 0 DGADLN COc1cc2c(cc1F)C[N@@H+](Cc1csc(C(=O)[O-])c1)CC2 ZINC001599464192 998330542 /nfs/dbraw/zinc/33/05/42/998330542.db2.gz AMMZUPRDEWHRML-UHFFFAOYSA-N 0 2 321.373 3.152 20 0 DGADLN COc1ccc(Cl)cc1CN(C)c1ccc(C(=O)[O-])c[nH+]1 ZINC001599578029 998478462 /nfs/dbraw/zinc/47/84/62/998478462.db2.gz QFZJULUAAPCLRL-UHFFFAOYSA-N 0 2 306.749 3.078 20 0 DGADLN C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3F)o2)[C@@H](C(=O)[O-])C1 ZINC001594426401 999593854 /nfs/dbraw/zinc/59/38/54/999593854.db2.gz LBAFJGQZUYQSSQ-SMDDNHRTSA-N 0 2 318.348 3.166 20 0 DGADLN C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3F)o2)[C@@H](C(=O)[O-])C1 ZINC001594426401 999593860 /nfs/dbraw/zinc/59/38/60/999593860.db2.gz LBAFJGQZUYQSSQ-SMDDNHRTSA-N 0 2 318.348 3.166 20 0 DGADLN NC(=O)c1cc(-c2cccc(Cl)c2O)ncc1C(F)(F)F ZINC001242365518 1081725252 /nfs/dbraw/zinc/72/52/52/1081725252.db2.gz VPDZBCNZKQMPKL-UHFFFAOYSA-N 0 2 316.666 3.225 20 0 DGADLN O=C(Nc1ncc(F)cc1Cl)c1cccc(Cl)c1O ZINC001131485848 1082676782 /nfs/dbraw/zinc/67/67/82/1082676782.db2.gz QOYGQQMDUOBAJS-UHFFFAOYSA-N 0 2 301.104 3.485 20 0 DGADLN O=C(NC[C@@H]1C[C@H]1Cc1ccccc1)c1cc(F)c(O)c(F)c1 ZINC001181030435 1083397170 /nfs/dbraw/zinc/39/71/70/1083397170.db2.gz FRJKYAKPMANLMO-OCCSQVGLSA-N 0 2 317.335 3.279 20 0 DGADLN O=C(CCCCCCCCCO)Nc1ccc2nn[nH]c2c1 ZINC001181414988 1083461855 /nfs/dbraw/zinc/46/18/55/1083461855.db2.gz UAWJZXDXMJHUMU-UHFFFAOYSA-N 0 2 304.394 3.010 20 0 DGADLN CN(CCC(=O)c1cccs1)C(=O)Cc1ccc(S)cc1 ZINC001183191299 1083892062 /nfs/dbraw/zinc/89/20/62/1083892062.db2.gz WSPBAGRKLVPRJW-UHFFFAOYSA-N 0 2 319.451 3.311 20 0 DGADLN CN(CCc1ccc(F)cc1)C(=O)Cc1ccc(S)cc1 ZINC001183190689 1083893108 /nfs/dbraw/zinc/89/31/08/1083893108.db2.gz LMTWUMAOHWLYDB-UHFFFAOYSA-N 0 2 303.402 3.358 20 0 DGADLN O=S(=O)(Nc1csc(Cl)c1)c1ccc(Cl)nc1 ZINC001185649702 1084495291 /nfs/dbraw/zinc/49/52/91/1084495291.db2.gz FTNPKPGVLJSBQN-UHFFFAOYSA-N 0 2 309.199 3.251 20 0 DGADLN CCCCc1cnc(NC(=O)c2cccc(Cl)c2O)nc1 ZINC001272394333 1087690188 /nfs/dbraw/zinc/69/01/88/1087690188.db2.gz POPCYKAJGUETQX-UHFFFAOYSA-N 0 2 305.765 3.431 20 0 DGADLN C[C@H](NC(=O)c1ccc(Cl)c2occc21)c1nn(C)cc1O ZINC001158308857 1087769091 /nfs/dbraw/zinc/76/90/91/1087769091.db2.gz YIUWEEIXWFBVQZ-QMMMGPOBSA-N 0 2 319.748 3.016 20 0 DGADLN CC[C@H](NC(=O)c1cccc(Cl)c1O)C(=O)c1ccccc1 ZINC001152981835 1088128592 /nfs/dbraw/zinc/12/85/92/1088128592.db2.gz YSJIHMAEGSNEDI-AWEZNQCLSA-N 0 2 317.772 3.437 20 0 DGADLN O=C(Cc1cccc(Br)c1)NOc1ccccc1F ZINC001154215451 1088520031 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CC[N@@H+](Cc1csc(-c2ccccc2OC)n1)[C@H](C)C(=O)[O-] ZINC000662217923 436305026 /nfs/dbraw/zinc/30/50/26/436305026.db2.gz WPTXOLAUZZKYBY-LLVKDONJSA-N 0 2 320.414 3.114 20 0 DGADLN CC(C)c1ccccc1NC(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000662225865 436306015 /nfs/dbraw/zinc/30/60/15/436306015.db2.gz BWTIYMHZVCHGPU-UHFFFAOYSA-N 0 2 320.433 3.181 20 0 DGADLN CC(C)c1ccccc1NC(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662225865 436306019 /nfs/dbraw/zinc/30/60/19/436306019.db2.gz BWTIYMHZVCHGPU-UHFFFAOYSA-N 0 2 320.433 3.181 20 0 DGADLN CC(C)(C)C[N@H+](CC(=O)[O-])Cc1cc(-c2cccs2)on1 ZINC000662228075 436306480 /nfs/dbraw/zinc/30/64/80/436306480.db2.gz UDBGNIOBBAVPMV-UHFFFAOYSA-N 0 2 308.403 3.336 20 0 DGADLN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc(-c2cccs2)on1 ZINC000662228075 436306485 /nfs/dbraw/zinc/30/64/85/436306485.db2.gz UDBGNIOBBAVPMV-UHFFFAOYSA-N 0 2 308.403 3.336 20 0 DGADLN C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657870972 436330574 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CC(C)CCNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000541798741 314039466 /nfs/dbraw/zinc/03/94/66/314039466.db2.gz PGUFVQNPTFIAPH-UHFFFAOYSA-N 0 2 324.837 3.448 20 0 DGADLN C[C@@H]1C[C@H](CCN=c2[nH]nc(Cc3ccccc3)s2)CCO1 ZINC000542282744 314067872 /nfs/dbraw/zinc/06/78/72/314067872.db2.gz ZYRPMJUSNJYMNA-UKRRQHHQSA-N 0 2 317.458 3.168 20 0 DGADLN C[C@@H]1CN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC(C)(C)C1 ZINC000543304020 314126187 /nfs/dbraw/zinc/12/61/87/314126187.db2.gz URGRYXIWJSZICH-JTQLQIEISA-N 0 2 310.467 3.157 20 0 DGADLN CC(C)(C)[C@@H]1CCN(C(=O)N=c2ccc(-c3ccccc3)n[nH]2)C1 ZINC000543325819 314127591 /nfs/dbraw/zinc/12/75/91/314127591.db2.gz BHXXHHWPFIWEKU-OAHLLOKOSA-N 0 2 324.428 3.465 20 0 DGADLN CCc1ncc(S(=O)(=O)Nc2cncc3ccccc32)s1 ZINC000545180820 314229928 /nfs/dbraw/zinc/22/99/28/314229928.db2.gz GQQIQPPXFQRORX-UHFFFAOYSA-N 0 2 319.411 3.055 20 0 DGADLN C[C@@H](C(F)(F)F)S(=O)(=O)NCC[C@@H]1CCCC[C@H]1C ZINC000545362697 314247947 /nfs/dbraw/zinc/24/79/47/314247947.db2.gz 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315393559 /nfs/dbraw/zinc/39/35/59/315393559.db2.gz PLHFQRFBEILBPJ-UHFFFAOYSA-N 0 2 308.378 3.244 20 0 DGADLN C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)C(C)(C)C(=O)[O-] ZINC000567055150 315393561 /nfs/dbraw/zinc/39/35/61/315393561.db2.gz PLHFQRFBEILBPJ-UHFFFAOYSA-N 0 2 308.378 3.244 20 0 DGADLN Cc1cc(=NC(=O)N2CC3(CCCCC3)[C@H]2C(C)C)[nH]nc1C ZINC000572818423 315819715 /nfs/dbraw/zinc/81/97/15/315819715.db2.gz GJSSDRDAUDNFGH-MRXNPFEDSA-N 0 2 316.449 3.338 20 0 DGADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)C1=CC[C@H](C)CC1 ZINC000573739912 315896077 /nfs/dbraw/zinc/89/60/77/315896077.db2.gz CIEWDFULOZXTRO-JTQLQIEISA-N 0 2 312.373 3.171 20 0 DGADLN O=S(=O)(CCC1CC1)Nc1nc2c(cccc2Cl)s1 ZINC000574857021 316007770 /nfs/dbraw/zinc/00/77/70/316007770.db2.gz DHKBKPJPASOEHS-UHFFFAOYSA-N 0 2 316.835 3.492 20 0 DGADLN Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000575019228 316025001 /nfs/dbraw/zinc/02/50/01/316025001.db2.gz HLLIKAUEHDBNFQ-UKRRQHHQSA-N 0 2 317.820 3.367 20 0 DGADLN 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ZINC000461210543 434874212 /nfs/dbraw/zinc/87/42/12/434874212.db2.gz QYKDOCJQMDTJRD-UHFFFAOYSA-N 0 2 317.197 3.498 20 0 DGADLN Cc1cc(=NC(=O)C2(c3cccs3)CCCCC2)[nH]nc1C ZINC000523164819 434940341 /nfs/dbraw/zinc/94/03/41/434940341.db2.gz DAHZGEIKKUDVFW-UHFFFAOYSA-N 0 2 315.442 3.417 20 0 DGADLN CC[C@H](C)N(Cc1ccccc1)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000524037586 434968305 /nfs/dbraw/zinc/96/83/05/434968305.db2.gz FCSWGAKVXVXQNJ-AWEZNQCLSA-N 0 2 312.417 3.348 20 0 DGADLN CCCC[C@H](Nc1nc(C2CC2)ns1)C(=O)OC(C)(C)C ZINC000462692734 434924743 /nfs/dbraw/zinc/92/47/43/434924743.db2.gz QLNMSGOQGWTSEN-NSHDSACASA-N 0 2 311.451 3.150 20 0 DGADLN Cc1cc(=NC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)[nH]nc1C ZINC000524488550 434979197 /nfs/dbraw/zinc/97/91/97/434979197.db2.gz YDDWUNIRWOUUQS-CQSZACIVSA-N 0 2 313.401 3.045 20 0 DGADLN CC(C)c1scnc1C(=O)N=c1ccc(-c2ccccc2)n[nH]1 ZINC000464266055 434981904 /nfs/dbraw/zinc/98/19/04/434981904.db2.gz LXDHDPFEEITRLV-UHFFFAOYSA-N 0 2 324.409 3.398 20 0 DGADLN 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DGADLN Cc1ccccc1[C@@H](NC(=O)N=c1cc(C)c(C)n[nH]1)C(C)C ZINC000467486141 435123157 /nfs/dbraw/zinc/12/31/57/435123157.db2.gz RCTSATYYDVXTQR-KRWDZBQOSA-N 0 2 312.417 3.343 20 0 DGADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)C[C@H]1CCC[C@H]1C ZINC000579257152 435141587 /nfs/dbraw/zinc/14/15/87/435141587.db2.gz PAONPJJHLIZXNM-ZYHUDNBSSA-N 0 2 314.389 3.251 20 0 DGADLN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000560732101 435188829 /nfs/dbraw/zinc/18/88/29/435188829.db2.gz QYMNKZKFPJJHKM-RISCZKNCSA-N 0 2 314.389 3.332 20 0 DGADLN CC(C)c1nsc(N[C@@H]2CCO[C@@H](c3cccs3)C2)n1 ZINC000560833732 435192151 /nfs/dbraw/zinc/19/21/51/435192151.db2.gz YTDXCRSDUIPDDK-GHMZBOCLSA-N 0 2 309.460 3.477 20 0 DGADLN C[C@](Cc1ccccc1)(NC(=O)c1cccc2[nH]nnc21)C1CC1 ZINC000560473968 435170465 /nfs/dbraw/zinc/17/04/65/435170465.db2.gz WUUOONNYHYXJHF-LJQANCHMSA-N 0 2 320.396 3.099 20 0 DGADLN c1ccn2c(c1)n[n-]c2=[NH+]Cc1cccc(OC2CCCC2)c1 ZINC000475056610 435174482 /nfs/dbraw/zinc/17/44/82/435174482.db2.gz 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307.262 3.432 20 0 DGADLN O=C(NCc1ccc(-c2cccnc2)cc1)C(F)C(F)(F)F ZINC000810455856 627007986 /nfs/dbraw/zinc/00/79/86/627007986.db2.gz DAFGDGOJJJVJLC-CYBMUJFWSA-N 0 2 312.266 3.265 20 0 DGADLN O=C(NCc1ccc(-c2cccnc2)cc1)[C@@H](F)C(F)(F)F ZINC000810455856 627007987 /nfs/dbraw/zinc/00/79/87/627007987.db2.gz DAFGDGOJJJVJLC-CYBMUJFWSA-N 0 2 312.266 3.265 20 0 DGADLN CC[C@H](CNC(=O)C(F)C(F)(F)F)Oc1cccc(C)c1 ZINC000810483770 627009411 /nfs/dbraw/zinc/00/94/11/627009411.db2.gz DFVXQVWPGWKYMH-ZYHUDNBSSA-N 0 2 307.287 3.169 20 0 DGADLN CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Oc1cccc(C)c1 ZINC000810483770 627009413 /nfs/dbraw/zinc/00/94/13/627009413.db2.gz DFVXQVWPGWKYMH-ZYHUDNBSSA-N 0 2 307.287 3.169 20 0 DGADLN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc(F)c(O)cc2Cl)C1 ZINC000885679923 627043397 /nfs/dbraw/zinc/04/33/97/627043397.db2.gz IWRGNCXDXBZSOS-CBAPKCEASA-N 0 2 323.755 3.212 20 0 DGADLN C[C@@H](NC(=O)C(F)C(F)(F)F)c1ccc2ncsc2c1 ZINC000811194085 627255248 /nfs/dbraw/zinc/25/52/48/627255248.db2.gz KYQQEQRKTWPXHY-LHLIQPBNSA-N 0 2 306.284 3.374 20 0 DGADLN C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccc2ncsc2c1 ZINC000811194085 627255250 /nfs/dbraw/zinc/25/52/50/627255250.db2.gz KYQQEQRKTWPXHY-LHLIQPBNSA-N 0 2 306.284 3.374 20 0 DGADLN C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1cccc(Cl)c1O ZINC000811545301 627290030 /nfs/dbraw/zinc/29/00/30/627290030.db2.gz YTYIXYJLSHCQTK-OTYXRUKQSA-N 0 2 303.745 3.298 20 0 DGADLN COC[C@H](NC(=O)C(F)C(F)(F)F)c1cccc(Cl)c1 ZINC000811582267 627291942 /nfs/dbraw/zinc/29/19/42/627291942.db2.gz ANWVPTHUUJNANF-UWVGGRQHSA-N 0 2 313.678 3.044 20 0 DGADLN COC[C@H](NC(=O)[C@H](F)C(F)(F)F)c1cccc(Cl)c1 ZINC000811582267 627291945 /nfs/dbraw/zinc/29/19/45/627291945.db2.gz ANWVPTHUUJNANF-UWVGGRQHSA-N 0 2 313.678 3.044 20 0 DGADLN COc1ccccc1C1(C(=O)NOCC(F)F)CCCCC1 ZINC000816105234 627739168 /nfs/dbraw/zinc/73/91/68/627739168.db2.gz XHBKMUAMPRXEBZ-UHFFFAOYSA-N 0 2 313.344 3.210 20 0 DGADLN Cc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccn2)cc1 ZINC000926230384 627866647 /nfs/dbraw/zinc/86/66/47/627866647.db2.gz SZWNYWSVBFVBRT-FXAWDEMLSA-N 0 2 318.424 3.281 20 0 DGADLN Cc1ccc(C2(C(=O)NOCCC(F)(F)F)CCC2)cc1 ZINC000819503751 628164632 /nfs/dbraw/zinc/16/46/32/628164632.db2.gz LEPZHVCOJWHERF-UHFFFAOYSA-N 0 2 301.308 3.417 20 0 DGADLN C[C@H](NC(=O)[O-])c1ccc(C[NH2+]Cc2n[nH]c3ccccc32)cc1 ZINC000825402362 628758224 /nfs/dbraw/zinc/75/82/24/628758224.db2.gz KRKVPWFAUOYIOU-LBPRGKRZSA-N 0 2 324.384 3.181 20 0 DGADLN C/C(=C\C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1)C(=O)[O-] ZINC000825746225 628793410 /nfs/dbraw/zinc/79/34/10/628793410.db2.gz GZKYZKPKZJKTET-ONNFQVAWSA-N 0 2 304.777 3.210 20 0 DGADLN C/C(=C\C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1)C(=O)[O-] ZINC000825746225 628793415 /nfs/dbraw/zinc/79/34/15/628793415.db2.gz GZKYZKPKZJKTET-ONNFQVAWSA-N 0 2 304.777 3.210 20 0 DGADLN CC(C)(C)c1nsc(NC(=O)c2conc2C(F)(F)F)n1 ZINC000825753262 628794298 /nfs/dbraw/zinc/79/42/98/628794298.db2.gz ODIZKOOAWCPSFI-UHFFFAOYSA-N 0 2 320.296 3.095 20 0 DGADLN CCCCc1nc(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)[O-])cs1 ZINC000826848036 628894707 /nfs/dbraw/zinc/89/47/07/628894707.db2.gz RELDFORAFDHSFR-CYBMUJFWSA-N 0 2 311.451 3.060 20 0 DGADLN CCCCc1nc(C[N@H+]2CCC[C@@H]2CN(C)C(=O)[O-])cs1 ZINC000826848036 628894710 /nfs/dbraw/zinc/89/47/10/628894710.db2.gz RELDFORAFDHSFR-CYBMUJFWSA-N 0 2 311.451 3.060 20 0 DGADLN C[C@]([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)(C(=O)[O-])C1CC1 ZINC000827740945 628987721 /nfs/dbraw/zinc/98/77/21/628987721.db2.gz GEZRNZICDWDHQZ-MRXNPFEDSA-N 0 2 320.776 3.338 20 0 DGADLN C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827928582 629004165 /nfs/dbraw/zinc/00/41/65/629004165.db2.gz JLJLDIHBUVMRQF-NOZJJQNGSA-N 0 2 316.170 3.009 20 0 DGADLN C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827928582 629004167 /nfs/dbraw/zinc/00/41/67/629004167.db2.gz JLJLDIHBUVMRQF-NOZJJQNGSA-N 0 2 316.170 3.009 20 0 DGADLN CC[C@](C)([NH2+]Cc1cc(C)c(C(=O)[O-])o1)c1nc(C)cs1 ZINC000828693141 629082623 /nfs/dbraw/zinc/08/26/23/629082623.db2.gz RBUPPYRPYFKWIT-HNNXBMFYSA-N 0 2 308.403 3.466 20 0 DGADLN CCc1oc(C(=O)[O-])cc1C[N@H+](C)Cc1nc2ccccc2o1 ZINC000830363114 629258712 /nfs/dbraw/zinc/25/87/12/629258712.db2.gz OPPQSVKVAQWJHQ-UHFFFAOYSA-N 0 2 314.341 3.313 20 0 DGADLN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)Cc1nc2ccccc2o1 ZINC000830363114 629258715 /nfs/dbraw/zinc/25/87/15/629258715.db2.gz OPPQSVKVAQWJHQ-UHFFFAOYSA-N 0 2 314.341 3.313 20 0 DGADLN C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(C(=O)[O-])cc1 ZINC000830819275 629308521 /nfs/dbraw/zinc/30/85/21/629308521.db2.gz AAKLKOAVGLYIRL-UHFFFAOYSA-N 0 2 321.380 3.407 20 0 DGADLN C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(C(=O)[O-])cc1 ZINC000830819275 629308525 /nfs/dbraw/zinc/30/85/25/629308525.db2.gz AAKLKOAVGLYIRL-UHFFFAOYSA-N 0 2 321.380 3.407 20 0 DGADLN C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1cccc(C(=O)[O-])c1 ZINC000830844901 629311362 /nfs/dbraw/zinc/31/13/62/629311362.db2.gz NFRHRXUDHXSFRH-UHFFFAOYSA-N 0 2 321.380 3.407 20 0 DGADLN C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1cccc(C(=O)[O-])c1 ZINC000830844901 629311364 /nfs/dbraw/zinc/31/13/64/629311364.db2.gz NFRHRXUDHXSFRH-UHFFFAOYSA-N 0 2 321.380 3.407 20 0 DGADLN Cc1ccc2c(c1)[C@H]([NH2+][C@H](C(=O)[O-])c1cccc(Cl)c1)CO2 ZINC000832961535 629539876 /nfs/dbraw/zinc/53/98/76/629539876.db2.gz DWZLNRHXVFIUBF-ZBFHGGJFSA-N 0 2 317.772 3.497 20 0 DGADLN Cc1ccccc1CC(N)=[NH+]OCc1ccc(F)cc1C(=O)[O-] ZINC000832981114 629544326 /nfs/dbraw/zinc/54/43/26/629544326.db2.gz YPQDTNIDVIFPSS-UHFFFAOYSA-N 0 2 316.332 3.073 20 0 DGADLN O=C([O-])[C@@H](c1ccc(F)cc1)[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000833171383 629566023 /nfs/dbraw/zinc/56/60/23/629566023.db2.gz PEMMGLYVALPBPR-MRXNPFEDSA-N 0 2 321.298 3.288 20 0 DGADLN O=C([O-])[C@@H](c1ccc(F)cc1)[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000833171383 629566026 /nfs/dbraw/zinc/56/60/26/629566026.db2.gz PEMMGLYVALPBPR-MRXNPFEDSA-N 0 2 321.298 3.288 20 0 DGADLN O=C([O-])[C@@H](c1ccccc1F)[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000833173685 629566271 /nfs/dbraw/zinc/56/62/71/629566271.db2.gz FVPZGJCENAWMDV-MRXNPFEDSA-N 0 2 321.298 3.288 20 0 DGADLN O=C([O-])[C@@H](c1ccccc1F)[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000833173685 629566276 /nfs/dbraw/zinc/56/62/76/629566276.db2.gz FVPZGJCENAWMDV-MRXNPFEDSA-N 0 2 321.298 3.288 20 0 DGADLN CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1C(=O)[O-] ZINC000833694031 629641257 /nfs/dbraw/zinc/64/12/57/629641257.db2.gz GJEFGWUCNKNMKR-UHFFFAOYSA-N 0 2 307.353 3.207 20 0 DGADLN O=C([O-])N1CCC[C@H](Nc2ccc([NH+]3CCCC3)cc2)CC1 ZINC000834103283 629670741 /nfs/dbraw/zinc/67/07/41/629670741.db2.gz HEBHFIYAWVUBBC-AWEZNQCLSA-N 0 2 303.406 3.231 20 0 DGADLN O=C([O-])N1CCC[C@H]([NH2+]c2ccc(N3CCCC3)cc2)CC1 ZINC000834103283 629670747 /nfs/dbraw/zinc/67/07/47/629670747.db2.gz HEBHFIYAWVUBBC-AWEZNQCLSA-N 0 2 303.406 3.231 20 0 DGADLN O=C(Nc1cc(Cl)cc(Cl)c1O)C1(F)CCOCC1 ZINC000867137267 629986481 /nfs/dbraw/zinc/98/64/81/629986481.db2.gz GFLUPATYTYDSAU-UHFFFAOYSA-N 0 2 308.136 3.156 20 0 DGADLN O=C(CSCc1coc(-c2ccccc2)n1)NOC1CCC1 ZINC000836798310 630164851 /nfs/dbraw/zinc/16/48/51/630164851.db2.gz MFTVHOFNVANURQ-UHFFFAOYSA-N 0 2 318.398 3.175 20 0 DGADLN CC(C)(C)c1cc(COC(=O)c2cc(F)c(O)c(F)c2)no1 ZINC000837559305 630275745 /nfs/dbraw/zinc/27/57/45/630275745.db2.gz WJRGLUPLKZGNFN-UHFFFAOYSA-N 0 2 311.284 3.313 20 0 DGADLN CCc1csc(NS(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000840953593 630384495 /nfs/dbraw/zinc/38/44/95/630384495.db2.gz VJANJNQCSIGXSO-UHFFFAOYSA-N 0 2 320.439 3.435 20 0 DGADLN O=C([O-])c1ccc(N2CCC(c3cccc(F)c3F)CC2)[nH+]c1 ZINC000843034820 630606023 /nfs/dbraw/zinc/60/60/23/630606023.db2.gz QLPIIRDFVRHXSZ-UHFFFAOYSA-N 0 2 318.323 3.442 20 0 DGADLN Cc1c2ccccc2[nH+]c(N2CCC(F)(F)CC2)c1C(=O)[O-] ZINC000844206318 630712308 /nfs/dbraw/zinc/71/23/08/630712308.db2.gz DFMYECOTTHQMJQ-UHFFFAOYSA-N 0 2 306.312 3.477 20 0 DGADLN CC[C@@H](OCCNC(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000844778811 630858805 /nfs/dbraw/zinc/85/88/05/630858805.db2.gz REGDMJDVRVDQIN-VXGBXAGGSA-N 0 2 307.287 3.171 20 0 DGADLN CC[C@@H](OCCNC(=O)[C@@H](F)C(F)(F)F)c1ccccc1 ZINC000844778811 630858816 /nfs/dbraw/zinc/85/88/16/630858816.db2.gz REGDMJDVRVDQIN-VXGBXAGGSA-N 0 2 307.287 3.171 20 0 DGADLN Cc1noc(C)c1C[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000846239630 631216309 /nfs/dbraw/zinc/21/63/09/631216309.db2.gz SNGVIACNBPFMGD-UHFFFAOYSA-N 0 2 308.765 3.275 20 0 DGADLN Cc1noc(C)c1C[N@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000846239630 631216311 /nfs/dbraw/zinc/21/63/11/631216311.db2.gz SNGVIACNBPFMGD-UHFFFAOYSA-N 0 2 308.765 3.275 20 0 DGADLN Cc1cc2[nH]c(CC(=O)OC3CCCCC3)nc(=O)c2s1 ZINC000849183034 631853509 /nfs/dbraw/zinc/85/35/09/631853509.db2.gz BVIAOITWHLZQBV-UHFFFAOYSA-N 0 2 306.387 3.124 20 0 DGADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1cccc(F)n1 ZINC000701131625 660656547 /nfs/dbraw/zinc/65/65/47/660656547.db2.gz MZUKCLQZIAZCFG-UHFFFAOYSA-N 0 2 301.104 3.485 20 0 DGADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccnc(F)c1 ZINC000701163335 660658826 /nfs/dbraw/zinc/65/88/26/660658826.db2.gz VFGIFHTXRBJRSV-UHFFFAOYSA-N 0 2 301.104 3.485 20 0 DGADLN CSCCONC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000794187928 661071130 /nfs/dbraw/zinc/07/11/30/661071130.db2.gz KZXQEUPKVLKNCE-UHFFFAOYSA-N 0 2 311.422 3.438 20 0 DGADLN Cc1ccsc1S(=O)(=O)Nc1ccc(F)c([C@@H](C)O)c1 ZINC000795381452 661144865 /nfs/dbraw/zinc/14/48/65/661144865.db2.gz PYOHNRXBOQRTDT-SECBINFHSA-N 0 2 315.391 3.050 20 0 DGADLN Cc1ccc(S(=O)(=O)Nc2ccc(F)c([C@H](C)O)c2)s1 ZINC000795380251 661144925 /nfs/dbraw/zinc/14/49/25/661144925.db2.gz IKXKRWSPZYAJKJ-VIFPVBQESA-N 0 2 315.391 3.050 20 0 DGADLN O=C(CSc1ccc(F)cc1F)NOCc1ccccc1 ZINC000070271090 655605981 /nfs/dbraw/zinc/60/59/81/655605981.db2.gz DVABMUFZFCESAR-UHFFFAOYSA-N 0 2 309.337 3.305 20 0 DGADLN Cc1csc(C(C#N)C(=O)C2=Cc3cc(F)ccc3OC2)n1 ZINC000155856462 655712652 /nfs/dbraw/zinc/71/26/52/655712652.db2.gz VBDPSJQZKNDHBR-ZDUSSCGKSA-N 0 2 314.341 3.243 20 0 DGADLN Cc1csc([C@@H](C#N)C(=O)C2=Cc3cc(F)ccc3OC2)n1 ZINC000155856462 655712654 /nfs/dbraw/zinc/71/26/54/655712654.db2.gz VBDPSJQZKNDHBR-ZDUSSCGKSA-N 0 2 314.341 3.243 20 0 DGADLN COC(=O)c1cc(/C=C/C(=O)c2cc(Cl)ccc2O)c[nH]1 ZINC000156680768 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ZINC001596373151 983875668 /nfs/dbraw/zinc/87/56/68/983875668.db2.gz ADZFVVLLYNYGKE-HNNXBMFYSA-N 0 2 304.777 3.383 20 0 DGADLN CC[N@@H+](Cc1ccccn1)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001596373151 983875674 /nfs/dbraw/zinc/87/56/74/983875674.db2.gz ADZFVVLLYNYGKE-HNNXBMFYSA-N 0 2 304.777 3.383 20 0 DGADLN C/C(=C/c1ccccc1)C[N@@H+](C)Cc1ncc(C(=O)[O-])s1 ZINC001589004077 984960851 /nfs/dbraw/zinc/96/08/51/984960851.db2.gz WKISVCPQSWDFOM-WQLSENKSSA-N 0 2 302.399 3.377 20 0 DGADLN C/C(=C/c1ccccc1)C[N@H+](C)Cc1ncc(C(=O)[O-])s1 ZINC001589004077 984960857 /nfs/dbraw/zinc/96/08/57/984960857.db2.gz WKISVCPQSWDFOM-WQLSENKSSA-N 0 2 302.399 3.377 20 0 DGADLN CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2nc(C(=O)[O-])co2)c1 ZINC001597148718 986913116 /nfs/dbraw/zinc/91/31/16/986913116.db2.gz DVBVUVUVFUZUNW-GHMZBOCLSA-N 0 2 304.346 3.183 20 0 DGADLN C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC001589533440 987227567 /nfs/dbraw/zinc/22/75/67/987227567.db2.gz PBQIMQJRUVXUQQ-LLVKDONJSA-N 0 2 324.340 3.166 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DGADLN O=C(N[C@H](CF)c1ccc(F)cc1)c1c(O)cc(F)cc1F ZINC001559026055 1189163709 /nfs/dbraw/zinc/16/37/09/1189163709.db2.gz SWKRHWJADIAPBE-GFCCVEGCSA-N 0 2 313.250 3.250 20 0 DGADLN C[N@H+](Cc1cccn1C(F)F)Cc1nc(=O)c2sccc2[n-]1 ZINC001621228456 1193819831 /nfs/dbraw/zinc/81/98/31/1193819831.db2.gz ZQTBPIGRWJSUQB-UHFFFAOYSA-N 0 2 324.356 3.226 20 0 DGADLN C[N@@H+](Cc1cccn1C(F)F)Cc1nc(=O)c2sccc2[n-]1 ZINC001621228456 1193819834 /nfs/dbraw/zinc/81/98/34/1193819834.db2.gz ZQTBPIGRWJSUQB-UHFFFAOYSA-N 0 2 324.356 3.226 20 0 DGADLN CCCc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1 ZINC000035186264 1193916136 /nfs/dbraw/zinc/91/61/36/1193916136.db2.gz OWFOVLDEEGQWQK-UHFFFAOYSA-N 0 2 310.806 3.488 20 0 DGADLN O=C(Nc1nccs1)c1cc(Br)c(F)cc1O ZINC001623403640 1193931469 /nfs/dbraw/zinc/93/14/69/1193931469.db2.gz AEXJMSUUDVHVBY-UHFFFAOYSA-N 0 2 317.139 3.003 20 0 DGADLN CCc1ccccc1N1CC(=O)C(C(=O)NC2(C)CCCC2)=N1 ZINC001625706357 1194065278 /nfs/dbraw/zinc/06/52/78/1194065278.db2.gz FVLSWGWVNQEHDW-UHFFFAOYSA-N 0 2 313.401 3.203 20 0 DGADLN CC1(C)C[C@@H]1CNC(=O)c1cc(Br)c(F)cc1O ZINC001627647829 1194138250 /nfs/dbraw/zinc/13/82/50/1194138250.db2.gz CIKLMPOFLGODMA-SSDOTTSWSA-N 0 2 316.170 3.070 20 0 DGADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCC3(C)CC3)=N2)c1 ZINC001629338688 1194227762 /nfs/dbraw/zinc/22/77/62/1194227762.db2.gz ISGLPULVHRPRPT-UHFFFAOYSA-N 0 2 313.401 3.231 20 0 DGADLN CC(C)Nc1cccc(F)c1NC(=O)c1ccc2[nH]nnc2c1 ZINC001631396031 1194333271 /nfs/dbraw/zinc/33/32/71/1194333271.db2.gz RBGSYOYHIOMVDQ-UHFFFAOYSA-N 0 2 313.336 3.170 20 0 DGADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1ncccc1F ZINC001631858444 1194359236 /nfs/dbraw/zinc/35/92/36/1194359236.db2.gz NLYPOWIQBBZBNN-UHFFFAOYSA-N 0 2 301.104 3.485 20 0 DGADLN O=C(Cc1ccc(Br)cc1)NOc1ccccc1F ZINC001633925172 1194464576 /nfs/dbraw/zinc/46/45/76/1194464576.db2.gz PCYBUOYTBDWBFC-UHFFFAOYSA-N 0 2 324.149 3.241 20 0 DGADLN O=C(NCc1cccc2ncccc12)c1cc(F)c(O)c(F)c1 ZINC001634081983 1194472562 /nfs/dbraw/zinc/47/25/62/1194472562.db2.gz PMBQHEBWQGNNDD-UHFFFAOYSA-N 0 2 314.291 3.149 20 0 DGADLN CC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2O)cc1C ZINC001637098411 1194650124 /nfs/dbraw/zinc/65/01/24/1194650124.db2.gz GAOQQAAVNGNWJC-UHFFFAOYSA-N 0 2 305.280 3.434 20 0 DGADLN CC[C@H](CNc1ccccc1)NC(=O)c1cc(F)c(O)c(F)c1 ZINC001638713786 1194733294 /nfs/dbraw/zinc/73/32/94/1194733294.db2.gz CWBDINIERVHLPG-GFCCVEGCSA-N 0 2 320.339 3.291 20 0 DGADLN CC(=O)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1O ZINC001639196968 1194755278 /nfs/dbraw/zinc/75/52/78/1194755278.db2.gz RPLAEUVTUXCWKF-UHFFFAOYSA-N 0 2 323.707 3.345 20 0 DGADLN CC[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)[C@@H]1CC1(C)C ZINC001639416319 1194764317 /nfs/dbraw/zinc/76/43/17/1194764317.db2.gz ALIDLAFTWLAFSU-KBPBESRZSA-N 0 2 313.401 3.132 20 0 DGADLN CC[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)[C@H]1CC1(C)C ZINC001639416322 1194764724 /nfs/dbraw/zinc/76/47/24/1194764724.db2.gz ALIDLAFTWLAFSU-ZIAGYGMSSA-N 0 2 313.401 3.132 20 0 DGADLN O=c1nc(CN[C@H](c2ccccc2)C(F)F)[nH]c2ccsc21 ZINC001643174202 1195000135 /nfs/dbraw/zinc/00/01/35/1195000135.db2.gz 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/nfs/dbraw/zinc/13/00/59/961130059.db2.gz JBZPLMFDTRLTHL-SWLSCSKDSA-N 0 2 311.809 3.213 20 0 DGADLN Cc1oc(C[N@@H+](C)Cc2cnc(C(C)C)s2)cc1C(=O)[O-] ZINC001353899032 962669379 /nfs/dbraw/zinc/66/93/79/962669379.db2.gz GDFLNYQBJJQMJD-UHFFFAOYSA-N 0 2 308.403 3.498 20 0 DGADLN Cc1oc(C[N@H+](C)Cc2cnc(C(C)C)s2)cc1C(=O)[O-] ZINC001353899032 962669387 /nfs/dbraw/zinc/66/93/87/962669387.db2.gz GDFLNYQBJJQMJD-UHFFFAOYSA-N 0 2 308.403 3.498 20 0 DGADLN COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314710431 963795252 /nfs/dbraw/zinc/79/52/52/963795252.db2.gz WHNIQNDUDJTRAB-VHSXEESVSA-N 0 2 306.387 3.262 20 0 DGADLN CC(C)Oc1ccc(CNc2cc(CC(=O)[O-])cc[nH+]2)cc1 ZINC001591775767 975919263 /nfs/dbraw/zinc/91/92/63/975919263.db2.gz TZJDYKVCHXKCMI-UHFFFAOYSA-N 0 2 300.358 3.108 20 0 DGADLN CCCC[N@H+](C)c1ccc(Nc2cncc(C(=O)[O-])n2)cc1 ZINC001595741353 982402090 /nfs/dbraw/zinc/40/20/90/982402090.db2.gz KFOOTJIAABRVJQ-UHFFFAOYSA-N 0 2 300.362 3.155 20 0 DGADLN CCCC[N@@H+](C)c1ccc(Nc2cncc(C(=O)[O-])n2)cc1 ZINC001595741353 982402095 /nfs/dbraw/zinc/40/20/95/982402095.db2.gz KFOOTJIAABRVJQ-UHFFFAOYSA-N 0 2 300.362 3.155 20 0 DGADLN C/C(=C/C[N@@H+]1CC[C@@H]1c1ccc(Br)cc1)C(=O)[O-] ZINC001588960140 984730625 /nfs/dbraw/zinc/73/06/25/984730625.db2.gz XMDFAFCOPYMOSE-AGEOTTOMSA-N 0 2 310.191 3.227 20 0 DGADLN C/C(=C/C[N@H+]1CC[C@@H]1c1ccc(Br)cc1)C(=O)[O-] ZINC001588960140 984730630 /nfs/dbraw/zinc/73/06/30/984730630.db2.gz XMDFAFCOPYMOSE-AGEOTTOMSA-N 0 2 310.191 3.227 20 0 DGADLN CCc1[nH]c(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC001597385978 987600350 /nfs/dbraw/zinc/60/03/50/987600350.db2.gz ZTTBWWWIJGJEOM-MRXNPFEDSA-N 0 2 302.349 3.361 20 0 DGADLN CCc1[nH]c(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC001597385978 987600354 /nfs/dbraw/zinc/60/03/54/987600354.db2.gz ZTTBWWWIJGJEOM-MRXNPFEDSA-N 0 2 302.349 3.361 20 0 DGADLN C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1csc(Nc2ccccc2)n1 ZINC001599884513 989532507 /nfs/dbraw/zinc/53/25/07/989532507.db2.gz 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/nfs/dbraw/zinc/81/77/98/1192817798.db2.gz SHHVCDRPXNSYSL-AWEZNQCLSA-N 0 2 317.433 3.380 20 0 DGADLN Cc1ccc(C[C@H](Sc2[nH+]cc3ccccn32)C(=O)[O-])cc1 ZINC001600404464 1192845513 /nfs/dbraw/zinc/84/55/13/1192845513.db2.gz RCXOAZQZZYLCSQ-HNNXBMFYSA-N 0 2 312.394 3.431 20 0 DGADLN Cc1sc([C@@H]2CCC[N@@H+]2Cc2ccc(C)nc2)nc1C(=O)[O-] ZINC001600413546 1192848309 /nfs/dbraw/zinc/84/83/09/1192848309.db2.gz KEUSIIIRYZCPLF-ZDUSSCGKSA-N 0 2 317.414 3.190 20 0 DGADLN Cc1sc([C@@H]2CCC[N@H+]2Cc2ccc(C)nc2)nc1C(=O)[O-] ZINC001600413546 1192848315 /nfs/dbraw/zinc/84/83/15/1192848315.db2.gz KEUSIIIRYZCPLF-ZDUSSCGKSA-N 0 2 317.414 3.190 20 0 DGADLN Cc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1C(=O)[O-] ZINC001600420288 1192850366 /nfs/dbraw/zinc/85/03/66/1192850366.db2.gz VARFSQOIIDHVNG-NSHDSACASA-N 0 2 317.389 3.225 20 0 DGADLN Cc1ccc(N2C[C@H](C)OC3(CCCCC3)C2)[nH+]c1C(=O)[O-] ZINC001600437310 1192854223 /nfs/dbraw/zinc/85/42/23/1192854223.db2.gz USWHOAJHCKSKQL-ZDUSSCGKSA-N 0 2 304.390 3.016 20 0 DGADLN Cc1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)sc1Cl ZINC001332366227 1178429024 /nfs/dbraw/zinc/42/90/24/1178429024.db2.gz URKYCHRHYZVOSN-UHFFFAOYSA-N 0 2 319.757 3.083 20 0 DGADLN Cc1nc2c(s1)[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1F)CCC2 ZINC001600722258 1192895539 /nfs/dbraw/zinc/89/55/39/1192895539.db2.gz FOEZJTIPNSIHOQ-KGLIPLIRSA-N 0 2 320.389 3.384 20 0 DGADLN COc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001333645104 1178645199 /nfs/dbraw/zinc/64/51/99/1178645199.db2.gz CQETTZCMSLPELK-CQSZACIVSA-N 0 2 301.390 3.068 20 0 DGADLN Cc1oc(CO[NH+]=C(N)Cc2ccccc2Cl)cc1C(=O)[O-] ZINC001600856067 1192905013 /nfs/dbraw/zinc/90/50/13/1192905013.db2.gz LZZJDFKKKWXGCD-UHFFFAOYSA-N 0 2 322.748 3.181 20 0 DGADLN Cn1c(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)ccc1C(=O)[O-] ZINC001600913856 1192911018 /nfs/dbraw/zinc/91/10/18/1192911018.db2.gz RVYNUWYHDFUGMB-OAHLLOKOSA-N 0 2 300.358 3.044 20 0 DGADLN Cn1c(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)ccc1C(=O)[O-] ZINC001600913856 1192911022 /nfs/dbraw/zinc/91/10/22/1192911022.db2.gz RVYNUWYHDFUGMB-OAHLLOKOSA-N 0 2 300.358 3.044 20 0 DGADLN Cc1cccc(NS(=O)(=O)c2cnc(Cl)cc2Cl)c1 ZINC001341552107 1179027921 /nfs/dbraw/zinc/02/79/21/1179027921.db2.gz DMTDVPBFXARHFM-UHFFFAOYSA-N 0 2 317.197 3.498 20 0 DGADLN CO[C@H](CNC(=O)c1cccc(Cl)c1O)c1ccc(F)cc1 ZINC001341816153 1179066162 /nfs/dbraw/zinc/06/61/62/1179066162.db2.gz SLGURDAWVUILJI-CQSZACIVSA-N 0 2 323.751 3.302 20 0 DGADLN O=C([O-])/C=C/c1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)o1 ZINC001601878450 1192949456 /nfs/dbraw/zinc/94/94/56/1192949456.db2.gz AYNWWGNGEMACNU-ONEGZZNKSA-N 0 2 311.259 3.085 20 0 DGADLN O=C([O-])C[N@H+](Cc1ccco1)Cc1ccc(C(F)(F)F)cc1 ZINC001602058139 1192957060 /nfs/dbraw/zinc/95/70/60/1192957060.db2.gz LGFFIAJPKNBRME-UHFFFAOYSA-N 0 2 313.275 3.385 20 0 DGADLN O=C([O-])C[N@@H+](Cc1ccco1)Cc1ccc(C(F)(F)F)cc1 ZINC001602058139 1192957062 /nfs/dbraw/zinc/95/70/62/1192957062.db2.gz LGFFIAJPKNBRME-UHFFFAOYSA-N 0 2 313.275 3.385 20 0 DGADLN O=C([O-])Cc1cc[nH+]c(N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001602148922 1192960689 /nfs/dbraw/zinc/96/06/89/1192960689.db2.gz AWKLHEUXZLPIDQ-SMDDNHRTSA-N 0 2 320.751 3.469 20 0 DGADLN O=C([O-])Cc1cc[nH+]c(NCCc2ccc(C(F)(F)F)cc2)c1 ZINC001602149690 1192960793 /nfs/dbraw/zinc/96/07/93/1192960793.db2.gz XMMNUJYQYUZJPJ-UHFFFAOYSA-N 0 2 324.302 3.382 20 0 DGADLN O=C([O-])Cc1cc[nH+]c(N2CCCn3c(cc4ccccc43)C2)c1 ZINC001602150811 1192961422 /nfs/dbraw/zinc/96/14/22/1192961422.db2.gz RHQHYRORKGCRMJ-UHFFFAOYSA-N 0 2 321.380 3.074 20 0 DGADLN O=C([O-])c1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1Cl ZINC001602349979 1192972510 /nfs/dbraw/zinc/97/25/10/1192972510.db2.gz VYONVJWYTQAAEO-UHFFFAOYSA-N 0 2 320.776 3.195 20 0 DGADLN O=C([O-])c1ccc(Cl)c(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC001602361131 1192974677 /nfs/dbraw/zinc/97/46/77/1192974677.db2.gz MRBMERDDJUAPRS-UHFFFAOYSA-N 0 2 306.749 3.193 20 0 DGADLN O=C([O-])c1ccc(N[C@@H](c2ccccc2)c2ccccn2)[nH+]c1 ZINC001602381545 1192976339 /nfs/dbraw/zinc/97/63/39/1192976339.db2.gz FKKINCDXNZMOGV-KRWDZBQOSA-N 0 2 305.337 3.376 20 0 DGADLN O=C([O-])c1cccc2c1CC[N@@H+](Cc1cc(O)ccc1Cl)C2 ZINC001602456779 1192981442 /nfs/dbraw/zinc/98/14/42/1192981442.db2.gz CJMUJUOGYUEANH-UHFFFAOYSA-N 0 2 317.772 3.302 20 0 DGADLN O=C([O-])c1cccc2c1CC[N@H+](Cc1cc(O)ccc1Cl)C2 ZINC001602456779 1192981445 /nfs/dbraw/zinc/98/14/45/1192981445.db2.gz CJMUJUOGYUEANH-UHFFFAOYSA-N 0 2 317.772 3.302 20 0 DGADLN O=C([O-])c1cccc2c1OCC[N@H+](Cc1sccc1Cl)C2 ZINC001602461506 1192982336 /nfs/dbraw/zinc/98/23/36/1192982336.db2.gz HTEUGXXJXILWEH-UHFFFAOYSA-N 0 2 323.801 3.494 20 0 DGADLN O=C([O-])c1cccc2c1OCC[N@@H+](Cc1sccc1Cl)C2 ZINC001602461506 1192982338 /nfs/dbraw/zinc/98/23/38/1192982338.db2.gz HTEUGXXJXILWEH-UHFFFAOYSA-N 0 2 323.801 3.494 20 0 DGADLN Cc1cccc(S(=O)(=O)Nc2nc3ccc(F)cc3o2)c1F ZINC001200639032 1180775820 /nfs/dbraw/zinc/77/58/20/1180775820.db2.gz OKHYYNLLQSUSMM-UHFFFAOYSA-N 0 2 324.308 3.215 20 0 DGADLN C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC001604328295 1193065334 /nfs/dbraw/zinc/06/53/34/1193065334.db2.gz ZOKZNSHBQWAKEU-JSGCOSHPSA-N 0 2 316.401 3.319 20 0 DGADLN CCOc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC001355262906 1181023695 /nfs/dbraw/zinc/02/36/95/1181023695.db2.gz DJCPIFOPGXRZMD-UHFFFAOYSA-N 0 2 306.381 3.169 20 0 DGADLN CC1(C(=O)[O-])C[NH+](Cc2cc(Cl)cc(Br)c2)C1 ZINC001604502300 1193076347 /nfs/dbraw/zinc/07/63/47/1193076347.db2.gz ATKBLPURYGPJMN-UHFFFAOYSA-N 0 2 318.598 3.009 20 0 DGADLN C[C@@H]1CC[N@H+](Cc2cscc2Br)[C@H](C(=O)[O-])C1 ZINC001604757276 1193092615 /nfs/dbraw/zinc/09/26/15/1193092615.db2.gz LMDMCFWIAAUFCA-KCJUWKMLSA-N 0 2 318.236 3.196 20 0 DGADLN C[C@@H]1CC[N@@H+](Cc2cscc2Br)[C@H](C(=O)[O-])C1 ZINC001604757276 1193092619 /nfs/dbraw/zinc/09/26/19/1193092619.db2.gz LMDMCFWIAAUFCA-KCJUWKMLSA-N 0 2 318.236 3.196 20 0 DGADLN CC[C@@H](C)C[C@H](C)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC001444694356 1182126110 /nfs/dbraw/zinc/12/61/10/1182126110.db2.gz OLEUOZQQDZQRCA-NEPJUHHUSA-N 0 2 319.380 3.272 20 0 DGADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccnc2[nH]cnc21 ZINC001446228399 1182164330 /nfs/dbraw/zinc/16/43/30/1182164330.db2.gz HBEIYQTWLMCCSD-UHFFFAOYSA-N 0 2 323.139 3.223 20 0 DGADLN C[C@@H](CC(C)(C)C)NC(=O)C1=NN(c2ccccc2)CC1=O ZINC001451036283 1182261838 /nfs/dbraw/zinc/26/18/38/1182261838.db2.gz JORXLHIPBRQCQF-LBPRGKRZSA-N 0 2 301.390 3.132 20 0 DGADLN O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1cc(F)c(O)c(F)c1 ZINC001451988635 1182279130 /nfs/dbraw/zinc/27/91/30/1182279130.db2.gz JFERINSQUHNRRT-XJKSGUPXSA-N 0 2 307.271 3.038 20 0 DGADLN CC[C@@H]1CCC[C@@H]1C(=O)Nc1nccc(Br)c1O ZINC001454365888 1182340089 /nfs/dbraw/zinc/34/00/89/1182340089.db2.gz UERGPUPMELTVJR-BDAKNGLRSA-N 0 2 313.195 3.315 20 0 DGADLN CC[C@H]1CCC[C@H]1C(=O)Nc1nccc(Br)c1O ZINC001454365891 1182340143 /nfs/dbraw/zinc/34/01/43/1182340143.db2.gz UERGPUPMELTVJR-DTWKUNHWSA-N 0 2 313.195 3.315 20 0 DGADLN O=C(c1cccc(Cl)c1O)N1CCSc2ncccc21 ZINC001456351640 1182412767 /nfs/dbraw/zinc/41/27/67/1182412767.db2.gz MDZQKKOMTQGHOB-UHFFFAOYSA-N 0 2 306.774 3.193 20 0 DGADLN CCO[C@H](CNc1ccc(C)c(C(=O)[O-])[nH+]1)c1ccccc1 ZINC001605592804 1193160289 /nfs/dbraw/zinc/16/02/89/1193160289.db2.gz GRFXBZBJBXOHPQ-CQSZACIVSA-N 0 2 300.358 3.278 20 0 DGADLN CCc1oc(C[NH2+]Cc2cc(F)cnc2Cl)cc1C(=O)[O-] ZINC001605890782 1193182038 /nfs/dbraw/zinc/18/20/38/1193182038.db2.gz RVSOFOFITAUCDM-UHFFFAOYSA-N 0 2 312.728 3.018 20 0 DGADLN O=C(Nc1nccs1)c1cc(Br)cc(F)c1O ZINC001463764371 1183046093 /nfs/dbraw/zinc/04/60/93/1183046093.db2.gz JGPJJHVAEANVLT-UHFFFAOYSA-N 0 2 317.139 3.003 20 0 DGADLN COC[C@@H](Nc1cc(CC(=O)[O-])cc[nH+]1)c1cccc(Cl)c1 ZINC001606817269 1193205598 /nfs/dbraw/zinc/20/55/98/1193205598.db2.gz BPRVLVMRBLLFJW-CQSZACIVSA-N 0 2 320.776 3.162 20 0 DGADLN O=C(Nc1ccc2nn[nH]c2c1)[C@@H]1CSC[C@H]1c1ccccc1 ZINC001465667433 1183163000 /nfs/dbraw/zinc/16/30/00/1183163000.db2.gz YEMOMVGQNPKJFL-UONOGXRCSA-N 0 2 324.409 3.043 20 0 DGADLN COc1c(C)c[nH+]c(CSCc2nc(C(=O)[O-])cs2)c1C ZINC001607021240 1193210091 /nfs/dbraw/zinc/21/00/91/1193210091.db2.gz OJOCSXNDJXTKPL-UHFFFAOYSA-N 0 2 324.427 3.295 20 0 DGADLN COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nc(C(=O)[O-])cs1 ZINC001607236761 1193219440 /nfs/dbraw/zinc/21/94/40/1193219440.db2.gz RRHRBDZQEVJSAO-JTQLQIEISA-N 0 2 306.387 3.009 20 0 DGADLN C[C@@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)c1nn(C)cc1O ZINC001472236627 1183626808 /nfs/dbraw/zinc/62/68/08/1183626808.db2.gz LBVPGRBUCLKRPF-QWHCGFSZSA-N 0 2 323.396 3.260 20 0 DGADLN C[C@H](NC(=O)c1coc2ccc(Cl)cc21)c1nn(C)cc1O ZINC001472235480 1183627323 /nfs/dbraw/zinc/62/73/23/1183627323.db2.gz BVCOAWXGQDEJJZ-QMMMGPOBSA-N 0 2 319.748 3.016 20 0 DGADLN O=C(NCc1cccc2ncccc12)c1c(O)cc(F)cc1F ZINC001472615891 1183656819 /nfs/dbraw/zinc/65/68/19/1183656819.db2.gz HVSNAJFEGUSBOH-UHFFFAOYSA-N 0 2 314.291 3.149 20 0 DGADLN Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2CC(=O)[O-])n[nH]1 ZINC001607633789 1193242665 /nfs/dbraw/zinc/24/26/65/1193242665.db2.gz HOMNXFLEVMNQTG-KRWDZBQOSA-N 0 2 313.401 3.072 20 0 DGADLN Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2CC(=O)[O-])n[nH]1 ZINC001607633789 1193242667 /nfs/dbraw/zinc/24/26/67/1193242667.db2.gz HOMNXFLEVMNQTG-KRWDZBQOSA-N 0 2 313.401 3.072 20 0 DGADLN Cc1ccc(NCc2cccc(OCC(F)F)c2)[nH+]c1C(=O)[O-] ZINC001607808581 1193259198 /nfs/dbraw/zinc/25/91/98/1193259198.db2.gz UFJXCZOPDQVXGK-UHFFFAOYSA-N 0 2 322.311 3.344 20 0 DGADLN Cc1ccc2c(CCNc3cc(CC(=O)[O-])cc[nH+]3)cn(C)c2c1 ZINC001607826540 1193260192 /nfs/dbraw/zinc/26/01/92/1193260192.db2.gz GUEMALNIUAMBHT-UHFFFAOYSA-N 0 2 323.396 3.163 20 0 DGADLN Cc1oc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)cc1C(=O)[O-] ZINC001608049589 1193276014 /nfs/dbraw/zinc/27/60/14/1193276014.db2.gz FMQSGEMZVREOSY-INIZCTEOSA-N 0 2 307.390 3.067 20 0 DGADLN Cc1oc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)cc1C(=O)[O-] ZINC001608049589 1193276015 /nfs/dbraw/zinc/27/60/15/1193276015.db2.gz FMQSGEMZVREOSY-INIZCTEOSA-N 0 2 307.390 3.067 20 0 DGADLN O=C([O-])c1ccccc1C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC001608946090 1193315260 /nfs/dbraw/zinc/31/52/60/1193315260.db2.gz AQLLYIJYWZOOOS-UHFFFAOYSA-N 0 2 306.365 3.424 20 0 DGADLN 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ZINC000068721794 659962811 /nfs/dbraw/zinc/96/28/11/659962811.db2.gz VKSXRPLAICUIED-AWEZNQCLSA-N 0 2 309.394 3.362 20 0 DGADLN Cc1csc([C@@H](C#N)C(=O)Cc2cn(C)c3ccccc23)n1 ZINC000068721794 659962813 /nfs/dbraw/zinc/96/28/13/659962813.db2.gz VKSXRPLAICUIED-AWEZNQCLSA-N 0 2 309.394 3.362 20 0 DGADLN CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)C(C)C ZINC000182319471 660042230 /nfs/dbraw/zinc/04/22/30/660042230.db2.gz KCMOIPAHVXTLPI-OAHLLOKOSA-N 0 2 305.466 3.294 20 0 DGADLN Cc1cc(NC(=O)c2cc(F)c(O)c(F)c2)ccc1N(C)C ZINC000183389934 660109859 /nfs/dbraw/zinc/10/98/59/660109859.db2.gz BCZCAERFKFLZIR-UHFFFAOYSA-N 0 2 306.312 3.297 20 0 DGADLN COc1cccc(SCC(=O)NOCc2ccc(F)cc2)c1 ZINC000184241135 660160226 /nfs/dbraw/zinc/16/02/26/660160226.db2.gz GPFMJZZKPRIRHF-UHFFFAOYSA-N 0 2 321.373 3.174 20 0 DGADLN Nc1cc[nH+]c2c1C[N@@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)CC2 ZINC000931516105 661484690 /nfs/dbraw/zinc/48/46/90/661484690.db2.gz HNZOYCRWMMPGOS-JXFKEZNVSA-N 0 2 323.440 3.332 20 0 DGADLN C[C@]1(C(=O)NOCc2ccc(F)cc2)CCOc2ccccc21 ZINC000935379016 661781513 /nfs/dbraw/zinc/78/15/13/661781513.db2.gz HXMXBGUPBGBXID-SFHVURJKSA-N 0 2 315.344 3.114 20 0 DGADLN C[C@@]1(C(=O)NOCc2ccc(F)cc2)CCOc2ccccc21 ZINC000935379014 661781627 /nfs/dbraw/zinc/78/16/27/661781627.db2.gz HXMXBGUPBGBXID-GOSISDBHSA-N 0 2 315.344 3.114 20 0 DGADLN C=CCC[C@@H](C(=O)NNC(=O)c1ccc(C)o1)c1ccccc1 ZINC000189207389 661968995 /nfs/dbraw/zinc/96/89/95/661968995.db2.gz SRUOZBONZLIJEQ-OAHLLOKOSA-N 0 2 312.369 3.099 20 0 DGADLN Cc1ccc(S(=O)(=O)Nc2cccc(C#N)c2C)c(Cl)n1 ZINC000193335656 662130803 /nfs/dbraw/zinc/13/08/03/662130803.db2.gz MPIJDBFRGFAWBL-UHFFFAOYSA-N 0 2 321.789 3.024 20 0 DGADLN CCn1ncc2ccc(NC(=O)c3cc(F)cc(F)c3O)cc21 ZINC001584041044 1192174661 /nfs/dbraw/zinc/17/46/61/1192174661.db2.gz QFPNHOYYDNAQOY-UHFFFAOYSA-N 0 2 317.295 3.292 20 0 DGADLN Cc1[nH+]c(C(=O)[O-])cn1Cc1nc2ccccc2c(C)c1Cl ZINC001600015344 1192783464 /nfs/dbraw/zinc/78/34/64/1192783464.db2.gz VNRGSWQKVZXRTN-UHFFFAOYSA-N 0 2 315.760 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Cc1ccccc1[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)C(=O)[O-] ZINC001600570787 1192877288 /nfs/dbraw/zinc/87/72/88/1192877288.db2.gz UDPZDOPATWQYQA-GOSISDBHSA-N 0 2 310.397 3.184 20 0 DGADLN Cc1cc(S(=O)(=O)Nc2c[nH]nc2C(C)C)ccc1Cl ZINC001332278925 1178410929 /nfs/dbraw/zinc/41/09/29/1178410929.db2.gz SIZBPPINCBOGLG-UHFFFAOYSA-N 0 2 313.810 3.296 20 0 DGADLN Cc1ccncc1C[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC001600605106 1192883877 /nfs/dbraw/zinc/88/38/77/1192883877.db2.gz MFCKHJUAWLQKCT-UHFFFAOYSA-N 0 2 304.777 3.374 20 0 DGADLN Cc1ccncc1C[N@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC001600605106 1192883880 /nfs/dbraw/zinc/88/38/80/1192883880.db2.gz MFCKHJUAWLQKCT-UHFFFAOYSA-N 0 2 304.777 3.374 20 0 DGADLN Cc1cnc(C(C)(C)[NH2+]Cc2cc(C(=O)[O-])ccc2F)s1 ZINC001600617538 1192884857 /nfs/dbraw/zinc/88/48/57/1192884857.db2.gz LUAXLQGNQXMTRW-UHFFFAOYSA-N 0 2 308.378 3.314 20 0 DGADLN CCOc1ccc(CN(C)Cc2nc(=O)c3sccc3[nH]2)o1 ZINC001335488176 1178919559 /nfs/dbraw/zinc/91/95/59/1178919559.db2.gz 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FFBZNVWXNVMHIQ-WCQYABFASA-N 0 2 317.414 3.443 20 0 DGADLN Cc1cccc([C@H]2CCC[N@@H+]2[C@@H](C)c2ncc(C(=O)[O-])s2)n1 ZINC001600525816 1192867825 /nfs/dbraw/zinc/86/78/25/1192867825.db2.gz FFBZNVWXNVMHIQ-WCQYABFASA-N 0 2 317.414 3.443 20 0 DGADLN Cc1cccc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccc(Cl)cc2)n1 ZINC001600531390 1192869043 /nfs/dbraw/zinc/86/90/43/1192869043.db2.gz SYHFIPJPFALNCB-HNNXBMFYSA-N 0 2 304.777 3.301 20 0 DGADLN Cc1cccc(C[N@H+](C)[C@H](C(=O)[O-])c2ccc(Cl)cc2)n1 ZINC001600531390 1192869047 /nfs/dbraw/zinc/86/90/47/1192869047.db2.gz SYHFIPJPFALNCB-HNNXBMFYSA-N 0 2 304.777 3.301 20 0 DGADLN Cc1ccccc1N1CC[NH+]([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC001600581645 1192879490 /nfs/dbraw/zinc/87/94/90/1192879490.db2.gz AEQMDYKNGBRSGZ-MRXNPFEDSA-N 0 2 316.426 3.004 20 0 DGADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001600685506 1192892400 /nfs/dbraw/zinc/89/24/00/1192892400.db2.gz OJXPORRSWKFSRI-HOCLYGCPSA-N 0 2 300.358 3.200 20 0 DGADLN Cc1nc(C)c(C[NH2+][C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)o1 ZINC001600691838 1192893199 /nfs/dbraw/zinc/89/31/99/1192893199.db2.gz YMEUFZVLHHEDKW-ZMZPIMSZSA-N 0 2 314.385 3.258 20 0 DGADLN Cc1[nH]c(CN[C@H](C(=O)[O-])c2cccc3ccccc32)[nH+]c1C ZINC001600702541 1192894002 /nfs/dbraw/zinc/89/40/02/1192894002.db2.gz YOWBFDFZVIWAHA-KRWDZBQOSA-N 0 2 309.369 3.095 20 0 DGADLN Cc1nc(N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])cc[nH+]1 ZINC001600752438 1192897878 /nfs/dbraw/zinc/89/78/78/1192897878.db2.gz IRMNRDCAFBDYSC-GDBMZVCRSA-N 0 2 311.385 3.160 20 0 DGADLN O=C([O-])[C@H](c1ccccc1C(F)(F)F)[N@@H+]1CCn2cccc2C1 ZINC001601695522 1192940904 /nfs/dbraw/zinc/94/09/04/1192940904.db2.gz MDCRPODISKXQON-AWEZNQCLSA-N 0 2 324.302 3.148 20 0 DGADLN O=C([O-])[C@H](c1ccccc1C(F)(F)F)[N@H+]1CCn2cccc2C1 ZINC001601695522 1192940906 /nfs/dbraw/zinc/94/09/06/1192940906.db2.gz MDCRPODISKXQON-AWEZNQCLSA-N 0 2 324.302 3.148 20 0 DGADLN O=C([O-])[C@@H]1CC12CCN(c1[nH+]ccc3cc(F)ccc31)CC2 ZINC001601775815 1192944329 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O=C([O-])c1ccc(C[N@H+](Cc2cccnc2)C2CC2)c(F)c1 ZINC001602335187 1192970746 /nfs/dbraw/zinc/97/07/46/1192970746.db2.gz FJPLNROYIAXXIE-UHFFFAOYSA-N 0 2 300.333 3.084 20 0 DGADLN O=C([O-])c1ccc(C[N@@H+](Cc2cccnc2)C2CC2)c(F)c1 ZINC001602335187 1192970748 /nfs/dbraw/zinc/97/07/48/1192970748.db2.gz FJPLNROYIAXXIE-UHFFFAOYSA-N 0 2 300.333 3.084 20 0 DGADLN O=C([O-])c1ccc(C[NH2+]Cc2nc(C3CC3)cs2)c(F)c1 ZINC001602349674 1192972761 /nfs/dbraw/zinc/97/27/61/1192972761.db2.gz COPYIEIXGXVXBI-UHFFFAOYSA-N 0 2 306.362 3.148 20 0 DGADLN O=C([O-])c1ccc(Cl)c(C[N@@H+]2CCOCC23CCCC3)c1 ZINC001602356527 1192973484 /nfs/dbraw/zinc/97/34/84/1192973484.db2.gz AREOHROUYLKQLT-UHFFFAOYSA-N 0 2 309.793 3.183 20 0 DGADLN O=C([O-])c1ccc(Cl)c(C[N@H+]2CCOCC23CCCC3)c1 ZINC001602356527 1192973486 /nfs/dbraw/zinc/97/34/86/1192973486.db2.gz AREOHROUYLKQLT-UHFFFAOYSA-N 0 2 309.793 3.183 20 0 DGADLN O=C([O-])c1ccc(NC[C@@H](O)c2cc3ccccc3s2)[nH+]c1 ZINC001602382145 1192976010 /nfs/dbraw/zinc/97/60/10/1192976010.db2.gz BIXAROXSGIMOQO-GFCCVEGCSA-N 0 2 314.366 3.140 20 0 DGADLN O=C([O-])c1cccc(OCC[N@H+](CC(F)F)CC2CCC2)c1 ZINC001602449642 1192981228 /nfs/dbraw/zinc/98/12/28/1192981228.db2.gz PEOSYBGRJQSBJY-UHFFFAOYSA-N 0 2 313.344 3.131 20 0 DGADLN O=C([O-])c1cccc(OCC[N@@H+](CC(F)F)CC2CCC2)c1 ZINC001602449642 1192981231 /nfs/dbraw/zinc/98/12/31/1192981231.db2.gz PEOSYBGRJQSBJY-UHFFFAOYSA-N 0 2 313.344 3.131 20 0 DGADLN CC(C)Sc1ccccc1C(=O)N[C@H](C)c1nn(C)cc1O ZINC001603109518 1193008091 /nfs/dbraw/zinc/00/80/91/1193008091.db2.gz KOXVIEWFCFSBIW-LLVKDONJSA-N 0 2 319.430 3.117 20 0 DGADLN COC(=O)c1sccc1NC(=O)c1cccc(Cl)c1O ZINC001352133650 1180300423 /nfs/dbraw/zinc/30/04/23/1180300423.db2.gz MGTLJZPDHTXZJY-UHFFFAOYSA-N 0 2 311.746 3.146 20 0 DGADLN O=C(Nc1nccc(Br)c1O)[C@@H]1CC12CCCC2 ZINC001648156874 1195280125 /nfs/dbraw/zinc/28/01/25/1195280125.db2.gz JRRJBQGZBVTOKQ-QMMMGPOBSA-N 0 2 311.179 3.069 20 0 DGADLN CC(C)c1csc(C[NH2+]Cc2ccccc2OCC(=O)[O-])n1 ZINC001604012307 1193044769 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C[C@H](c1ccc(F)cc1F)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001604466223 1193074030 /nfs/dbraw/zinc/07/40/30/1193074030.db2.gz JCMNBFBADVKEDQ-SNVBAGLBSA-N 0 2 306.312 3.251 20 0 DGADLN Cc1cccc(C)c1OCCNC(=O)c1cccc(Cl)c1O ZINC001356592644 1181220834 /nfs/dbraw/zinc/22/08/34/1181220834.db2.gz IKCVTWIXKLTUJS-UHFFFAOYSA-N 0 2 319.788 3.471 20 0 DGADLN C[C@H]1c2ccc(Cl)n2CC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC001604844882 1193096728 /nfs/dbraw/zinc/09/67/28/1193096728.db2.gz VXRFOJXAADCORT-LBPRGKRZSA-N 0 2 318.804 3.345 20 0 DGADLN C[C@H]1c2ccc(Cl)n2CC[N@@H+]1Cc1ccccc1CC(=O)[O-] ZINC001604844882 1193096731 /nfs/dbraw/zinc/09/67/31/1193096731.db2.gz VXRFOJXAADCORT-LBPRGKRZSA-N 0 2 318.804 3.345 20 0 DGADLN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1nnc(-c2cccc(Cl)c2)o1 ZINC001604963167 1193102390 /nfs/dbraw/zinc/10/23/90/1193102390.db2.gz DUKRSANCWZORDJ-JTQLQIEISA-N 0 2 323.780 3.075 20 0 DGADLN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1nnc(-c2cccc(Cl)c2)o1 ZINC001604963167 1193102395 /nfs/dbraw/zinc/10/23/95/1193102395.db2.gz DUKRSANCWZORDJ-JTQLQIEISA-N 0 2 323.780 3.075 20 0 DGADLN CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ncc(C(=O)[O-])s1 ZINC001605181527 1193125664 /nfs/dbraw/zinc/12/56/64/1193125664.db2.gz FFHMGCDFTNYYEU-SNVBAGLBSA-N 0 2 308.428 3.412 20 0 DGADLN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ncc(C(=O)[O-])s1 ZINC001605181527 1193125668 /nfs/dbraw/zinc/12/56/68/1193125668.db2.gz FFHMGCDFTNYYEU-SNVBAGLBSA-N 0 2 308.428 3.412 20 0 DGADLN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(Cl)c(O)c1 ZINC001446199750 1182164023 /nfs/dbraw/zinc/16/40/23/1182164023.db2.gz YLIMBEMWMZESLN-UHFFFAOYSA-N 0 2 301.680 3.267 20 0 DGADLN CSc1cc(O)ccc1NC(=O)c1cc(F)cc(F)c1O ZINC001449012518 1182220939 /nfs/dbraw/zinc/22/09/39/1182220939.db2.gz DDARLTYPALQIDD-UHFFFAOYSA-N 0 2 311.309 3.350 20 0 DGADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@H]2CCC2(C)C)=N1 ZINC001449167922 1182223866 /nfs/dbraw/zinc/22/38/66/1182223866.db2.gz TWALDWJRJLDUCY-HNNXBMFYSA-N 0 2 313.401 3.059 20 0 DGADLN CCN(CCCNc1cc(CC(=O)[O-])cc[nH+]1)c1ccccc1 ZINC001605447105 1193151702 /nfs/dbraw/zinc/15/17/02/1193151702.db2.gz XYEIHWNGOJRPHC-UHFFFAOYSA-N 0 2 313.401 3.037 20 0 DGADLN C[S@](=O)Cc1ccccc1NC(=O)c1cccc(Cl)c1O ZINC001458662406 1182546676 /nfs/dbraw/zinc/54/66/76/1182546676.db2.gz ZGVWBBSYZNQHKF-NRFANRHFSA-N 0 2 323.801 3.176 20 0 DGADLN CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001605797232 1193174541 /nfs/dbraw/zinc/17/45/41/1193174541.db2.gz XLNUZIHODHGZCZ-UHFFFAOYSA-N 0 2 323.352 3.156 20 0 DGADLN O=C(Nc1cc(Cl)cc2c[nH]nc21)c1cc(F)c(O)c(F)c1 ZINC001606843297 1193205841 /nfs/dbraw/zinc/20/58/41/1193205841.db2.gz LVLNFKPWTRDNDU-UHFFFAOYSA-N 0 2 323.686 3.452 20 0 DGADLN COC[C@@H]([NH2+][C@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccc(C)o1 ZINC001606815455 1193205980 /nfs/dbraw/zinc/20/59/80/1193205980.db2.gz ZJTARVZSFSTEAO-VXGBXAGGSA-N 0 2 307.346 3.226 20 0 DGADLN CC1CCC(C)(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CC1 ZINC001467899336 1183296010 /nfs/dbraw/zinc/29/60/10/1183296010.db2.gz QAHNWLXIWLSQLB-UHFFFAOYSA-N 0 2 314.389 3.332 20 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434903676 /nfs/dbraw/zinc/90/36/76/434903676.db2.gz FHOGWBOJDZUZLN-NSHDSACASA-N 0 2 319.364 3.167 20 0 DGADLN Cc1cc(=NC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)[nH]nc1C ZINC000462192808 434903820 /nfs/dbraw/zinc/90/38/20/434903820.db2.gz CTJJTBPDERKSNQ-HNNXBMFYSA-N 0 2 324.428 3.348 20 0 DGADLN Cc1ccccc1C[C@H](C)Nc1nc(C(F)(F)F)ns1 ZINC000552959141 434873586 /nfs/dbraw/zinc/87/35/86/434873586.db2.gz SGTIOEKAKDHICG-VIFPVBQESA-N 0 2 301.337 3.330 20 0 DGADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(F)cc1 ZINC000523729835 434961003 /nfs/dbraw/zinc/96/10/03/434961003.db2.gz PGCHRFNJQVGBJR-UHFFFAOYSA-N 0 2 311.382 3.021 20 0 DGADLN CCN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)C1CCCCC1 ZINC000523926484 434966611 /nfs/dbraw/zinc/96/66/11/434966611.db2.gz PTKDLICQDWBHIF-UHFFFAOYSA-N 0 2 310.467 3.444 20 0 DGADLN C[C@H]1CCCC[C@@H]1CNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000522621995 434927917 /nfs/dbraw/zinc/92/79/17/434927917.db2.gz SFCPRCGYBYORHU-WDEREUQCSA-N 0 2 310.467 3.205 20 0 DGADLN C[C@H]1CCC[C@H](CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000522619199 434928395 /nfs/dbraw/zinc/92/83/95/434928395.db2.gz FOQROMPBVSUOJO-QWRGUYRKSA-N 0 2 310.467 3.205 20 0 DGADLN CCc1nsc(N[C@@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000530936499 435060669 /nfs/dbraw/zinc/06/06/69/435060669.db2.gz MFIRBAWLKRTBTD-GHMZBOCLSA-N 0 2 324.247 3.253 20 0 DGADLN O=C([O-])c1cccc2c1CC[N@H+](Cc1csc(C3CC3)n1)C2 ZINC000578339217 435076888 /nfs/dbraw/zinc/07/68/88/435076888.db2.gz ANDJQHXQQYZKNQ-UHFFFAOYSA-N 0 2 314.410 3.277 20 0 DGADLN O=C([O-])c1cccc2c1CC[N@@H+](Cc1csc(C3CC3)n1)C2 ZINC000578339217 435076892 /nfs/dbraw/zinc/07/68/92/435076892.db2.gz ANDJQHXQQYZKNQ-UHFFFAOYSA-N 0 2 314.410 3.277 20 0 DGADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)[C@@H]1C[C@H]1C1CC1 ZINC000531195736 435077584 /nfs/dbraw/zinc/07/75/84/435077584.db2.gz OSESHYZNKNXPOQ-NWDGAFQWSA-N 0 2 319.817 3.265 20 0 DGADLN Cc1cccc(CNC(=O)N=c2ccc(-c3ccccc3)n[nH]2)c1 ZINC000467386957 435119468 /nfs/dbraw/zinc/11/94/68/435119468.db2.gz 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435268020 /nfs/dbraw/zinc/26/80/20/435268020.db2.gz VXRNGOBITYTUJQ-NSHDSACASA-N 0 2 303.431 3.236 20 0 DGADLN CC(C)(C)c1nc(=NC[C@@H]2CCOc3ccccc32)s[nH]1 ZINC000477355770 435268027 /nfs/dbraw/zinc/26/80/27/435268027.db2.gz VXRNGOBITYTUJQ-NSHDSACASA-N 0 2 303.431 3.236 20 0 DGADLN C[N@H+]1Cc2ccccc2[C@@H](N=c2nc(C3CCCC3)[n-]s2)C1 ZINC000643187144 435275014 /nfs/dbraw/zinc/27/50/14/435275014.db2.gz JKGDZWGISOEMDA-HNNXBMFYSA-N 0 2 314.458 3.216 20 0 DGADLN C[N@@H+]1Cc2ccccc2[C@@H](N=c2nc(C3CCCC3)[n-]s2)C1 ZINC000643187144 435275017 /nfs/dbraw/zinc/27/50/17/435275017.db2.gz JKGDZWGISOEMDA-HNNXBMFYSA-N 0 2 314.458 3.216 20 0 DGADLN CC(C)(CNc1nc(C2CCCC2)ns1)c1ccncc1 ZINC000643187137 435275194 /nfs/dbraw/zinc/27/51/94/435275194.db2.gz DVPRCYGTTZRUOU-UHFFFAOYSA-N 0 2 302.447 3.402 20 0 DGADLN Cc1nn(C)c(C)c1C[C@H](C)Nc1nc(C2CCCC2)ns1 ZINC000643185159 435275924 /nfs/dbraw/zinc/27/59/24/435275924.db2.gz CCSOTHXLJIZRJC-JTQLQIEISA-N 0 2 319.478 3.011 20 0 DGADLN CC[C@@H](C)[C@H](NC(=O)N=c1cccn[nH]1)c1ccc(Cl)cc1 ZINC000478700603 435307796 /nfs/dbraw/zinc/30/77/96/435307796.db2.gz RURBFLZXBYFRJR-ABAIWWIYSA-N 0 2 318.808 3.461 20 0 DGADLN Cc1ccc(C)c(S(=O)(=O)Nc2cc3cn[nH]c3cc2C)c1 ZINC000479105449 435319016 /nfs/dbraw/zinc/31/90/16/435319016.db2.gz GBGNQGAENNFMIL-UHFFFAOYSA-N 0 2 315.398 3.289 20 0 DGADLN CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000480048543 435363506 /nfs/dbraw/zinc/36/35/06/435363506.db2.gz NNHXFVZUIJLECQ-AEFFLSMTSA-N 0 2 322.880 3.274 20 0 DGADLN Cc1cnc([C@H](C)[NH+]2CCC(Cc3nc(C(C)C)n[nH]3)CC2)o1 ZINC000639715778 435400093 /nfs/dbraw/zinc/40/00/93/435400093.db2.gz CFGHZDULQPAFKB-ZDUSSCGKSA-N 0 2 317.437 3.240 20 0 DGADLN Cc1cnc([C@H](C)[NH+]2CCC(Cc3nnc(C(C)C)[nH]3)CC2)o1 ZINC000639715778 435400100 /nfs/dbraw/zinc/40/01/00/435400100.db2.gz CFGHZDULQPAFKB-ZDUSSCGKSA-N 0 2 317.437 3.240 20 0 DGADLN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1c(F)ccc(O)c1F ZINC000513282417 435382243 /nfs/dbraw/zinc/38/22/43/435382243.db2.gz 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/nfs/dbraw/zinc/38/81/13/435388113.db2.gz POCDXYWQVZVLCR-UHFFFAOYSA-N 0 2 308.403 3.254 20 0 DGADLN Cc1ccc(-c2nc(C[N@H+](CC(=O)[O-])CC(C)C)cs2)o1 ZINC000568066115 435388116 /nfs/dbraw/zinc/38/81/16/435388116.db2.gz POCDXYWQVZVLCR-UHFFFAOYSA-N 0 2 308.403 3.254 20 0 DGADLN C[C@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)[C@@H](C(=O)[O-])C1 ZINC000568074930 435389806 /nfs/dbraw/zinc/38/98/06/435389806.db2.gz RPVJRINEZQIAIW-SMDDNHRTSA-N 0 2 308.447 3.486 20 0 DGADLN C[C@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)[C@@H](C(=O)[O-])C1 ZINC000568074930 435389811 /nfs/dbraw/zinc/38/98/11/435389811.db2.gz RPVJRINEZQIAIW-SMDDNHRTSA-N 0 2 308.447 3.486 20 0 DGADLN CCc1ccc(S(=O)(=O)Nc2ccn(CCC(C)C)n2)cc1 ZINC000481622095 435436816 /nfs/dbraw/zinc/43/68/16/435436816.db2.gz OYHSTVFZVLLCJB-UHFFFAOYSA-N 0 2 321.446 3.292 20 0 DGADLN O=C(Nc1cc(Cl)cc(Cl)c1O)C1(C(=O)C2CC2)CC1 ZINC000515985569 435509556 /nfs/dbraw/zinc/50/95/56/435509556.db2.gz SBUSGLBGNZBYIM-UHFFFAOYSA-N 0 2 314.168 3.397 20 0 DGADLN 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/nfs/dbraw/zinc/96/26/67/1192962667.db2.gz IEMQWOTXGUFJBK-CQSZACIVSA-N 0 2 316.744 3.397 20 0 DGADLN O=C([O-])c1ccc(C[NH+]2CC(C(F)F)C2)c(C(F)(F)F)c1 ZINC001602335788 1192970855 /nfs/dbraw/zinc/97/08/55/1192970855.db2.gz UEDNYHCJAKWXFV-UHFFFAOYSA-N 0 2 309.234 3.101 20 0 DGADLN O=C([O-])c1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1Cl ZINC001602338707 1192971498 /nfs/dbraw/zinc/97/14/98/1192971498.db2.gz YQLRHDHQENEUBU-HNNXBMFYSA-N 0 2 319.792 3.489 20 0 DGADLN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1Cl ZINC001602338707 1192971499 /nfs/dbraw/zinc/97/14/99/1192971499.db2.gz YQLRHDHQENEUBU-HNNXBMFYSA-N 0 2 319.792 3.489 20 0 DGADLN O=C([O-])c1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1F ZINC001602345418 1192972136 /nfs/dbraw/zinc/97/21/36/1192972136.db2.gz MNFGFCIBEIXKOC-ZBFHGGJFSA-N 0 2 319.307 3.085 20 0 DGADLN O=C([O-])c1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1F ZINC001602345412 1192972148 /nfs/dbraw/zinc/97/21/48/1192972148.db2.gz MNFGFCIBEIXKOC-GDBMZVCRSA-N 0 2 319.307 3.085 20 0 DGADLN O=C([O-])c1ccc(CNc2c[nH+]cc3c2CCCC3)cc1F ZINC001602352430 1192973065 /nfs/dbraw/zinc/97/30/65/1192973065.db2.gz RBZNJXXHHRODTI-UHFFFAOYSA-N 0 2 300.333 3.410 20 0 DGADLN O=C([O-])c1ccc2c(c1)C[N@H+](Cc1cc(O)cc(Cl)c1)CC2 ZINC001602421349 1192978838 /nfs/dbraw/zinc/97/88/38/1192978838.db2.gz ATONMSGYJMOZMX-UHFFFAOYSA-N 0 2 317.772 3.302 20 0 DGADLN O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1cc(O)cc(Cl)c1)CC2 ZINC001602421349 1192978841 /nfs/dbraw/zinc/97/88/41/1192978841.db2.gz ATONMSGYJMOZMX-UHFFFAOYSA-N 0 2 317.772 3.302 20 0 DGADLN O=C([O-])c1cccc2c1CCC[N@@H+]2C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001602452685 1192981202 /nfs/dbraw/zinc/98/12/02/1192981202.db2.gz BLJILFFYEIOLGM-ZOZIMZAQSA-N 0 2 307.340 3.429 20 0 DGADLN O=C([O-])c1cccc2c1CCC[N@H+]2C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001602452685 1192981204 /nfs/dbraw/zinc/98/12/04/1192981204.db2.gz BLJILFFYEIOLGM-ZOZIMZAQSA-N 0 2 307.340 3.429 20 0 DGADLN O=C([O-])c1cnc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)s1 ZINC001602518714 1192984174 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C[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)[C@@H](C(=O)[O-])C1 ZINC001604757332 1193093121 /nfs/dbraw/zinc/09/31/21/1193093121.db2.gz NFIOZTPNPCJUTF-JOYOIKCWSA-N 0 2 308.378 3.121 20 0 DGADLN C[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)[C@H](C(=O)[O-])C1 ZINC001604757331 1193093254 /nfs/dbraw/zinc/09/32/54/1193093254.db2.gz NFIOZTPNPCJUTF-CABZTGNLSA-N 0 2 308.378 3.121 20 0 DGADLN C[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)[C@H](C(=O)[O-])C1 ZINC001604757331 1193093259 /nfs/dbraw/zinc/09/32/59/1193093259.db2.gz NFIOZTPNPCJUTF-CABZTGNLSA-N 0 2 308.378 3.121 20 0 DGADLN C[C@@H]1c2cccn2CC[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001604843992 1193096619 /nfs/dbraw/zinc/09/66/19/1193096619.db2.gz FGWUWSSTGVEUNV-CYBMUJFWSA-N 0 2 321.380 3.311 20 0 DGADLN C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001604843992 1193096625 /nfs/dbraw/zinc/09/66/25/1193096625.db2.gz FGWUWSSTGVEUNV-CYBMUJFWSA-N 0 2 321.380 3.311 20 0 DGADLN CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(C(=O)[O-])c(F)c2)[nH]1 ZINC001604977925 1193103795 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CCCC[C@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)C(=O)[O-] ZINC001605246369 1193134107 /nfs/dbraw/zinc/13/41/07/1193134107.db2.gz YAIVRDQDWHUTDS-GJZGRUSLSA-N 0 2 302.374 3.191 20 0 DGADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cnn2c1CCC2 ZINC001447106022 1182183278 /nfs/dbraw/zinc/18/32/78/1182183278.db2.gz CPSVIWXRDGCTON-UHFFFAOYSA-N 0 2 312.156 3.094 20 0 DGADLN Cc1sc(CC(=O)NOC/C=C/Cl)nc1-c1ccco1 ZINC001450776183 1182257909 /nfs/dbraw/zinc/25/79/09/1182257909.db2.gz LKLATSOTMIMNOE-HWKANZROSA-N 0 2 312.778 3.054 20 0 DGADLN O=C(Cc1cc(Cl)cc2c1OCC2)NOc1ccccc1F ZINC001455482497 1182372196 /nfs/dbraw/zinc/37/21/96/1182372196.db2.gz RMCZABGMZUMNDE-UHFFFAOYSA-N 0 2 321.735 3.067 20 0 DGADLN CC(C)c1oncc1NC(=O)c1noc(-c2ccc(F)cc2)n1 ZINC001455735196 1182380992 /nfs/dbraw/zinc/38/09/92/1182380992.db2.gz FHQXMPAXHAGFRM-UHFFFAOYSA-N 0 2 316.292 3.239 20 0 DGADLN CCO[C@@H]1C[C@@H](Nc2cc(CC(=O)[O-])cc[nH+]2)C1(CC)CC ZINC001605610029 1193161082 /nfs/dbraw/zinc/16/10/82/1193161082.db2.gz GXOLVUROQYMWHV-ZIAGYGMSSA-N 0 2 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ZUVAVKYBNHRWLS-UHFFFAOYSA-N 0 2 322.455 3.444 20 0 DGADLN CCN(Cc1c[nH]c2ccccc12)C(=O)C(F)C(F)(F)F ZINC000811340483 627266824 /nfs/dbraw/zinc/26/68/24/627266824.db2.gz WHYIBIRFJAOMRB-LBPRGKRZSA-N 0 2 302.271 3.417 20 0 DGADLN CCN(Cc1c[nH]c2ccccc12)C(=O)[C@H](F)C(F)(F)F ZINC000811340483 627266828 /nfs/dbraw/zinc/26/68/28/627266828.db2.gz WHYIBIRFJAOMRB-LBPRGKRZSA-N 0 2 302.271 3.417 20 0 DGADLN C[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)[C@H](O)c1ccccc1 ZINC000811541855 627289917 /nfs/dbraw/zinc/28/99/17/627289917.db2.gz WDTKYFWVAVFRFS-OTYXRUKQSA-N 0 2 323.751 3.037 20 0 DGADLN C[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)[C@@H](O)c1ccccc1 ZINC000811541857 627290011 /nfs/dbraw/zinc/29/00/11/627290011.db2.gz WDTKYFWVAVFRFS-YMTOWFKASA-N 0 2 323.751 3.037 20 0 DGADLN O=C(CSc1nccc2ccccc21)NOC/C=C/Cl ZINC000812401242 627378835 /nfs/dbraw/zinc/37/88/35/627378835.db2.gz INRSBXURIVEHKH-XVNBXDOJSA-N 0 2 308.790 3.127 20 0 DGADLN CCOc1cc(C(=O)N=[S@](C)(=O)C(C)C)cc(Cl)c1O ZINC000926070339 627838195 /nfs/dbraw/zinc/83/81/95/627838195.db2.gz IXRXYBABUIVODP-HXUWFJFHSA-N 0 2 319.810 3.091 20 0 DGADLN O=C(Nc1ccc(OC(F)F)cn1)c1cccc(Cl)c1O ZINC000817065165 627850209 /nfs/dbraw/zinc/85/02/09/627850209.db2.gz JAKIFCLLAXYAFB-UHFFFAOYSA-N 0 2 314.675 3.294 20 0 DGADLN COc1cc(C2(C(=O)NOCC3CC3)CCCC2)ccc1C ZINC000817361610 627889028 /nfs/dbraw/zinc/88/90/28/627889028.db2.gz AOAZGQNMBOQOSK-UHFFFAOYSA-N 0 2 303.402 3.273 20 0 DGADLN COc1ccc(C2(C(=O)NOCCC3CC3)CCCC2)cc1 ZINC000817399537 627893271 /nfs/dbraw/zinc/89/32/71/627893271.db2.gz QAVSGNSIEHQVBS-UHFFFAOYSA-N 0 2 303.402 3.355 20 0 DGADLN O=C(/C=C/[C@H]1CCCO1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000819448391 628156349 /nfs/dbraw/zinc/15/63/49/628156349.db2.gz XSMZGOVWZPRXMG-CDAZIORVSA-N 0 2 302.157 3.373 20 0 DGADLN CCC[C@H](CC)C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000822653509 628475482 /nfs/dbraw/zinc/47/54/82/628475482.db2.gz VLYJQYQITAHOEV-NSHDSACASA-N 0 2 302.378 3.251 20 0 DGADLN CC(C)(C)c1csc([C@@H]2CCCC[N@@H+]2CCNC(=O)[O-])n1 ZINC000823864081 628604125 /nfs/dbraw/zinc/60/41/25/628604125.db2.gz HWNOREQSCNXYKT-NSHDSACASA-N 0 2 311.451 3.235 20 0 DGADLN CC(C)(C)c1csc([C@@H]2CCCC[N@H+]2CCNC(=O)[O-])n1 ZINC000823864081 628604126 /nfs/dbraw/zinc/60/41/26/628604126.db2.gz HWNOREQSCNXYKT-NSHDSACASA-N 0 2 311.451 3.235 20 0 DGADLN CC(C)c1cnc(C[NH+]2CCC(N(CC3CC3)C(=O)[O-])CC2)o1 ZINC000824476957 628663929 /nfs/dbraw/zinc/66/39/29/628663929.db2.gz WNJSRLVAHCKDEQ-UHFFFAOYSA-N 0 2 321.421 3.152 20 0 DGADLN C[C@@]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)(C(=O)[O-])C1CC1 ZINC000827741472 628987499 /nfs/dbraw/zinc/98/74/99/628987499.db2.gz MRRDMDFJIYOTAE-INIZCTEOSA-N 0 2 320.776 3.338 20 0 DGADLN C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827928585 629004076 /nfs/dbraw/zinc/00/40/76/629004076.db2.gz JLJLDIHBUVMRQF-ZANVPECISA-N 0 2 316.170 3.009 20 0 DGADLN C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827928585 629004079 /nfs/dbraw/zinc/00/40/79/629004079.db2.gz JLJLDIHBUVMRQF-ZANVPECISA-N 0 2 316.170 3.009 20 0 DGADLN C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827942164 629006102 /nfs/dbraw/zinc/00/61/02/629006102.db2.gz QFNHSKLQZDWMID-NOZJJQNGSA-N 0 2 316.170 3.009 20 0 DGADLN C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827942164 629006105 /nfs/dbraw/zinc/00/61/05/629006105.db2.gz QFNHSKLQZDWMID-NOZJJQNGSA-N 0 2 316.170 3.009 20 0 DGADLN CCOCCONC(=O)C1(c2cccc(Cl)c2)CC(C)C1 ZINC000828822276 629097432 /nfs/dbraw/zinc/09/74/32/629097432.db2.gz GQPKBMRRXHZLDG-UHFFFAOYSA-N 0 2 311.809 3.092 20 0 DGADLN CCC[C@](C)([NH2+]Cc1ncc(-c2ccccc2C)o1)C(=O)[O-] ZINC000829201984 629140326 /nfs/dbraw/zinc/14/03/26/629140326.db2.gz HPYANYHBCXMRAH-KRWDZBQOSA-N 0 2 302.374 3.383 20 0 DGADLN CC(C)(NS(=O)(=O)C1=Cc2ccccc2CC1)C(F)(F)F ZINC000829921513 629209052 /nfs/dbraw/zinc/20/90/52/629209052.db2.gz NWOSPYJCXNVQMP-UHFFFAOYSA-N 0 2 319.348 3.234 20 0 DGADLN CC[C@@H](C)N(OC)C(=O)c1cc(Br)c(F)cc1O ZINC000830482198 629276023 /nfs/dbraw/zinc/27/60/23/629276023.db2.gz QRLXBRTXIYUUPL-SSDOTTSWSA-N 0 2 320.158 3.096 20 0 DGADLN Cc1c(Cl)ccc2c1CN(C(=O)C(F)C(F)(F)F)CC2 ZINC000830889806 629316893 /nfs/dbraw/zinc/31/68/93/629316893.db2.gz FPDKWSSDJIVLEA-LLVKDONJSA-N 0 2 309.690 3.434 20 0 DGADLN Cc1c(Cl)ccc2c1CN(C(=O)[C@@H](F)C(F)(F)F)CC2 ZINC000830889806 629316900 /nfs/dbraw/zinc/31/69/00/629316900.db2.gz FPDKWSSDJIVLEA-LLVKDONJSA-N 0 2 309.690 3.434 20 0 DGADLN O=C([O-])N1CCC[C@H](C[NH2+]c2ccc(N3CCCC3)cc2)C1 ZINC000831987724 629433309 /nfs/dbraw/zinc/43/33/09/629433309.db2.gz XWGXTIOMGGTQST-CQSZACIVSA-N 0 2 303.406 3.089 20 0 DGADLN O=C([O-])N1CCC[C@H](CNc2ccc([NH+]3CCCC3)cc2)C1 ZINC000831987724 629433313 /nfs/dbraw/zinc/43/33/13/629433313.db2.gz XWGXTIOMGGTQST-CQSZACIVSA-N 0 2 303.406 3.089 20 0 DGADLN O=C([O-])N1CCC[C@H]1C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000832007135 629434786 /nfs/dbraw/zinc/43/47/86/629434786.db2.gz XUNZIXVJJRFORM-OBIHZWKSSA-N 0 2 307.221 3.160 20 0 DGADLN O=C([O-])NC[C@@H]1CCC[N@@H+]1Cc1csc(C2CCCC2)n1 ZINC000832572260 629497011 /nfs/dbraw/zinc/49/70/11/629497011.db2.gz ALQKQKNTIPGQFQ-ZDUSSCGKSA-N 0 2 309.435 3.033 20 0 DGADLN O=C([O-])NC[C@@H]1CCC[N@H+]1Cc1csc(C2CCCC2)n1 ZINC000832572260 629497015 /nfs/dbraw/zinc/49/70/15/629497015.db2.gz ALQKQKNTIPGQFQ-ZDUSSCGKSA-N 0 2 309.435 3.033 20 0 DGADLN Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)oc1C(=O)[O-] ZINC000832882795 629527386 /nfs/dbraw/zinc/52/73/86/629527386.db2.gz NTAHMIHTFBCPDG-BXUZGUMPSA-N 0 2 321.398 3.310 20 0 DGADLN Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)oc1C(=O)[O-] ZINC000832882795 629527389 /nfs/dbraw/zinc/52/73/89/629527389.db2.gz NTAHMIHTFBCPDG-BXUZGUMPSA-N 0 2 321.398 3.310 20 0 DGADLN Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)oc1C(=O)[O-] ZINC000832882801 629527599 /nfs/dbraw/zinc/52/75/99/629527599.db2.gz NTAHMIHTFBCPDG-SMDDNHRTSA-N 0 2 321.398 3.310 20 0 DGADLN Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)oc1C(=O)[O-] ZINC000832882801 629527604 /nfs/dbraw/zinc/52/76/04/629527604.db2.gz NTAHMIHTFBCPDG-SMDDNHRTSA-N 0 2 321.398 3.310 20 0 DGADLN Cc1ccccc1-c1cnc(C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)o1 ZINC000832974635 629543224 /nfs/dbraw/zinc/54/32/24/629543224.db2.gz LMPKPBHNVDWIMY-HNNXBMFYSA-N 0 2 302.374 3.239 20 0 DGADLN Cc1[nH+]c(C(=O)[O-])cn1Cc1cc2ccccc2nc1Cl ZINC000832995525 629546479 /nfs/dbraw/zinc/54/64/79/629546479.db2.gz FFLYARBVPPOIKM-UHFFFAOYSA-N 0 2 301.733 3.140 20 0 DGADLN O=C([O-])[C@H]([NH2+][C@H]1COc2c1cccc2Cl)c1ccccc1 ZINC000833165918 629564260 /nfs/dbraw/zinc/56/42/60/629564260.db2.gz DRYRLBCJPZQJNO-UONOGXRCSA-N 0 2 303.745 3.189 20 0 DGADLN O=C([O-])c1ccc(OCC[NH+]2Cc3ccccc3C2)c(Cl)c1 ZINC000833320984 629584929 /nfs/dbraw/zinc/58/49/29/629584929.db2.gz CTQPUQCKKLFKCN-UHFFFAOYSA-N 0 2 317.772 3.433 20 0 DGADLN C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2O)CCS1 ZINC000834653265 629748419 /nfs/dbraw/zinc/74/84/19/629748419.db2.gz AFCNMWLQUVQSOR-APPZFPTMSA-N 0 2 303.786 3.199 20 0 DGADLN CCCCN(C(=O)C(F)C(F)(F)F)[C@@H]1CCCC[C@H]1OC ZINC000836859674 630174972 /nfs/dbraw/zinc/17/49/72/630174972.db2.gz ATOUQUWMRMCAPQ-IJLUTSLNSA-N 0 2 313.335 3.473 20 0 DGADLN CCCCN(C(=O)[C@@H](F)C(F)(F)F)[C@@H]1CCCC[C@H]1OC ZINC000836859674 630174975 /nfs/dbraw/zinc/17/49/75/630174975.db2.gz ATOUQUWMRMCAPQ-IJLUTSLNSA-N 0 2 313.335 3.473 20 0 DGADLN CC(C)(CC(=O)COC(=O)c1cc(F)c(O)c(F)c1)C1CC1 ZINC000837557188 630275751 /nfs/dbraw/zinc/27/57/51/630275751.db2.gz MMNXYZPSLYQIFV-UHFFFAOYSA-N 0 2 312.312 3.223 20 0 DGADLN Cc1cc(C[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)cnc1Cl ZINC000843305534 630644275 /nfs/dbraw/zinc/64/42/75/630644275.db2.gz CHUIHQXDHWLSQP-QMMMGPOBSA-N 0 2 311.794 3.049 20 0 DGADLN CCCONC(=O)CSCc1ccc(Br)cc1 ZINC000844080254 630708364 /nfs/dbraw/zinc/70/83/64/630708364.db2.gz PBGGSQLXZBDIJQ-UHFFFAOYSA-N 0 2 318.236 3.140 20 0 DGADLN CS[C@H]1CCCCN(c2c3ccccc3[nH+]nc2C(=O)[O-])C1 ZINC000844214016 630712613 /nfs/dbraw/zinc/71/26/13/630712613.db2.gz CKVWQQIVNBTXDW-NSHDSACASA-N 0 2 317.414 3.050 20 0 DGADLN O=C(NOC1CCC1)C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000846237951 631215998 /nfs/dbraw/zinc/21/59/98/631215998.db2.gz OGGVIPBSRMAORI-UHFFFAOYSA-N 0 2 315.291 3.217 20 0 DGADLN CCn1cc(CN(C(=O)c2cccc(Cl)c2O)C(C)C)cn1 ZINC000846478421 631251357 /nfs/dbraw/zinc/25/13/57/631251357.db2.gz QUHNBWQPGPPZCA-UHFFFAOYSA-N 0 2 321.808 3.313 20 0 DGADLN CCCC[C@](C)(F)C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000847076459 631399002 /nfs/dbraw/zinc/39/90/02/631399002.db2.gz DDTMANFNAPQDRX-INIZCTEOSA-N 0 2 320.368 3.343 20 0 DGADLN CCC(C)=C(C)C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000848029591 631601005 /nfs/dbraw/zinc/60/10/05/631601005.db2.gz KSTIRPZXXNCOBQ-PKNBQFBNSA-N 0 2 300.362 3.171 20 0 DGADLN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1cccc(Cl)c1O ZINC000848265944 631636223 /nfs/dbraw/zinc/63/62/23/631636223.db2.gz BSKYABGGFVTUAD-KGLIPLIRSA-N 0 2 309.793 3.123 20 0 DGADLN Cc1ccc(S(=O)(=O)Nc2ccc(N(C)C)c(C)c2)s1 ZINC000109425006 632204560 /nfs/dbraw/zinc/20/45/60/632204560.db2.gz CJDMKJSVCNTEAC-UHFFFAOYSA-N 0 2 310.444 3.232 20 0 DGADLN CSCCONC(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000794194422 661071441 /nfs/dbraw/zinc/07/14/41/661071441.db2.gz CVBCLDCDNCUJEJ-UHFFFAOYSA-N 0 2 315.385 3.187 20 0 DGADLN Cc1cccc(C2(C(=O)NOCCOC(C)C)CCCC2)c1 ZINC000795065072 661125073 /nfs/dbraw/zinc/12/50/73/661125073.db2.gz LKRUKSJYHHBNEL-UHFFFAOYSA-N 0 2 305.418 3.280 20 0 DGADLN Cc1n[nH]c(NS(=O)(=O)c2ccccc2C(C)(C)C)c1C ZINC000160481800 655644061 /nfs/dbraw/zinc/64/40/61/655644061.db2.gz SDLPDWYABNCIBV-UHFFFAOYSA-N 0 2 307.419 3.125 20 0 DGADLN Cc1ccc2[nH+]cc(/C=C\c3ncc(/C=C\C(=O)[O-])s3)n2c1 ZINC000255320070 655698715 /nfs/dbraw/zinc/69/87/15/655698715.db2.gz UCNDLVCOYNOFNY-VKOMYYDGSA-N 0 2 311.366 3.367 20 0 DGADLN Cc1ccc2[nH+]cc(/C=C/c3ncc(/C=C\C(=O)[O-])s3)n2c1 ZINC000255320065 655698761 /nfs/dbraw/zinc/69/87/61/655698761.db2.gz UCNDLVCOYNOFNY-JOVCIAKGSA-N 0 2 311.366 3.367 20 0 DGADLN CC(C)[C@H](NC(=O)C(F)(F)F)c1nc(C2CCCCC2)no1 ZINC000193935467 656196003 /nfs/dbraw/zinc/19/60/03/656196003.db2.gz RTRIMUIENYEOPK-JTQLQIEISA-N 0 2 319.327 3.493 20 0 DGADLN COc1ccc(C)cc1C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000026432337 656250346 /nfs/dbraw/zinc/25/03/46/656250346.db2.gz SOGUZZKMIOPTRG-RQZCQDPDSA-N 0 2 300.314 3.237 20 0 DGADLN CN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000014256960 657979735 /nfs/dbraw/zinc/97/97/35/657979735.db2.gz NKVXGADKEXEPHM-UHFFFAOYSA-N 0 2 316.835 3.268 20 0 DGADLN O=C([O-])c1cccc(CNc2ccc(N3CCCCC3)c[nH+]2)c1 ZINC000263479998 658246566 /nfs/dbraw/zinc/24/65/66/658246566.db2.gz NSOZHIOKZRIFDG-UHFFFAOYSA-N 0 2 311.385 3.382 20 0 DGADLN O=C(NNC(=O)c1ccccn1)c1ccc(C2CCCCC2)cc1 ZINC000021001207 658725631 /nfs/dbraw/zinc/72/56/31/658725631.db2.gz KNQDDWPUKIGPFB-UHFFFAOYSA-N 0 2 323.396 3.204 20 0 DGADLN Cc1sc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1Br ZINC000227976185 659169051 /nfs/dbraw/zinc/16/90/51/659169051.db2.gz AAPSAIBCOQQBGI-LLVKDONJSA-N 0 2 318.236 3.258 20 0 DGADLN Cc1sc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1Br ZINC000227976185 659169055 /nfs/dbraw/zinc/16/90/55/659169055.db2.gz AAPSAIBCOQQBGI-LLVKDONJSA-N 0 2 318.236 3.258 20 0 DGADLN CCOC(=O)c1csc(C(C#N)C(=O)C2CCCCC2)n1 ZINC000067895505 659929772 /nfs/dbraw/zinc/92/97/72/659929772.db2.gz DKDAUBIWZJMEOU-LLVKDONJSA-N 0 2 306.387 3.076 20 0 DGADLN CCOC(=O)c1csc([C@H](C#N)C(=O)C2CCCCC2)n1 ZINC000067895505 659929775 /nfs/dbraw/zinc/92/97/75/659929775.db2.gz DKDAUBIWZJMEOU-LLVKDONJSA-N 0 2 306.387 3.076 20 0 DGADLN Cc1cccc(S(=O)(=O)Nc2cnc(Cl)c(C)c2)c1F ZINC000180518566 659964492 /nfs/dbraw/zinc/96/44/92/659964492.db2.gz PKDQHHGUYOPFQA-UHFFFAOYSA-N 0 2 314.769 3.292 20 0 DGADLN O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1nccs1 ZINC000184187452 660157915 /nfs/dbraw/zinc/15/79/15/660157915.db2.gz LLQUEOHWUCQZJC-QPJJXVBHSA-N 0 2 300.792 3.209 20 0 DGADLN Cc1nnc([C@H]2CC[N@H+](Cc3nc(C)c(C(C)(C)C)s3)C2)[nH]1 ZINC000930726956 661425235 /nfs/dbraw/zinc/42/52/35/661425235.db2.gz ZFNVOUJXJGZXES-LBPRGKRZSA-N 0 2 319.478 3.165 20 0 DGADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000935168354 661764772 /nfs/dbraw/zinc/76/47/72/661764772.db2.gz 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Cc1csc(C2([NH2+]Cc3cc(C(=O)[O-])c(C)o3)CCC2)n1 ZINC000902212531 619599544 /nfs/dbraw/zinc/59/95/44/619599544.db2.gz BAJVRKIEMQYLFU-UHFFFAOYSA-N 0 2 306.387 3.220 20 0 DGADLN C[C@H](Oc1ccc(C[NH2+]CC(F)(F)C(C)(C)C)cc1)C(=O)[O-] ZINC000902469960 619642198 /nfs/dbraw/zinc/64/21/98/619642198.db2.gz COUJCHRKTSVMFM-NSHDSACASA-N 0 2 315.360 3.310 20 0 DGADLN C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000902839692 619682973 /nfs/dbraw/zinc/68/29/73/619682973.db2.gz UUPCXBWCSKDFIK-KPOBHBOGSA-N 0 2 319.408 3.181 20 0 DGADLN Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000903264840 619747811 /nfs/dbraw/zinc/74/78/11/619747811.db2.gz WUOXVUVMVTWXJN-BXUZGUMPSA-N 0 2 322.453 3.014 20 0 DGADLN O=C(NOCCCC(F)(F)F)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC000881429393 625370523 /nfs/dbraw/zinc/37/05/23/625370523.db2.gz YEEKTWTYTCDTCA-MQMHXKEQSA-N 0 2 319.298 3.447 20 0 DGADLN CCc1cnc(NS(=O)(=O)c2c(C)csc2C)s1 ZINC000903605452 619785708 /nfs/dbraw/zinc/78/57/08/619785708.db2.gz 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CCCCC[C@@](C)(CC)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000839759160 621721727 /nfs/dbraw/zinc/72/17/27/621721727.db2.gz VRBOGZFFABRQOR-CXAGYDPISA-N 0 2 322.453 3.213 20 0 DGADLN CCCc1cc(NS(=O)(=O)C=Cc2ccc(C)cc2)n[nH]1 ZINC000761841194 622033192 /nfs/dbraw/zinc/03/31/92/622033192.db2.gz FSTQBTGXYXKZIW-MDZDMXLPSA-N 0 2 305.403 3.083 20 0 DGADLN C[C@H]1CN(C(=O)c2cc(Br)cc(F)c2O)C[C@H]1C ZINC000866199347 622064361 /nfs/dbraw/zinc/06/43/61/622064361.db2.gz ARVGHSIIILWYRT-OCAPTIKFSA-N 0 2 316.170 3.022 20 0 DGADLN O=C(Nc1cc(Cl)c(O)cc1F)c1cccc2nc[nH]c21 ZINC000805255008 622091942 /nfs/dbraw/zinc/09/19/42/622091942.db2.gz KDLQYDCVUXQBCR-UHFFFAOYSA-N 0 2 305.696 3.313 20 0 DGADLN O=C(NCc1ccc(Cl)nc1)c1cc(F)cc(Cl)c1O ZINC000121115115 622132344 /nfs/dbraw/zinc/13/23/44/622132344.db2.gz GZTZLKKDTPCTNC-UHFFFAOYSA-N 0 2 315.131 3.163 20 0 DGADLN O=C(NCC1(Sc2ccccc2)CC1)C(F)C(F)(F)F ZINC000764507165 622199855 /nfs/dbraw/zinc/19/98/55/622199855.db2.gz NYCMIOBJVPLTFK-SNVBAGLBSA-N 0 2 307.312 3.328 20 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20 0 DGADLN O=C(Nc1ccccc1-c1nnc[nH]1)c1c(O)cccc1Cl ZINC000770830931 622672965 /nfs/dbraw/zinc/67/29/65/622672965.db2.gz OVXDFRSOCKDFBZ-UHFFFAOYSA-N 0 2 314.732 3.083 20 0 DGADLN CC1(C)CC[C@H]2C(=O)N(c3nc4ccncc4s3)N=C2C1 ZINC000871961815 622745650 /nfs/dbraw/zinc/74/56/50/622745650.db2.gz QVWJZOOFAQGWEP-SECBINFHSA-N 0 2 300.387 3.220 20 0 DGADLN CC1(C)CCc2c([nH]n(-c3nc4ccncc4s3)c2=O)C1 ZINC000871961815 622745656 /nfs/dbraw/zinc/74/56/56/622745656.db2.gz QVWJZOOFAQGWEP-SECBINFHSA-N 0 2 300.387 3.220 20 0 DGADLN C[C@H](C(=O)[O-])[N@H+](Cc1noc2c1CC(C)(C)CC2)C1CCC1 ZINC000872162624 622843820 /nfs/dbraw/zinc/84/38/20/622843820.db2.gz UHKHNEIXEFWRCL-LLVKDONJSA-N 0 2 306.406 3.017 20 0 DGADLN C[C@H](C(=O)[O-])[N@@H+](Cc1noc2c1CC(C)(C)CC2)C1CCC1 ZINC000872162624 622843824 /nfs/dbraw/zinc/84/38/24/622843824.db2.gz UHKHNEIXEFWRCL-LLVKDONJSA-N 0 2 306.406 3.017 20 0 DGADLN Cc1noc(C)c1NS(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872345119 622893438 /nfs/dbraw/zinc/89/34/38/622893438.db2.gz MIGTUDNGIBHQMG-UHFFFAOYSA-N 0 2 320.292 3.169 20 0 DGADLN CCc1oncc1NS(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872371147 622899180 /nfs/dbraw/zinc/89/91/80/622899180.db2.gz JWTHQVMFLPGILU-UHFFFAOYSA-N 0 2 320.292 3.115 20 0 DGADLN CCOCCONC(=O)C1(c2ccccc2C)CCCCC1 ZINC000775243777 623245256 /nfs/dbraw/zinc/24/52/56/623245256.db2.gz IGGMBEBPKZYUBP-UHFFFAOYSA-N 0 2 305.418 3.281 20 0 DGADLN CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(Cl)c1O ZINC000775641881 623300775 /nfs/dbraw/zinc/30/07/75/623300775.db2.gz DDYFNJOHXVIXJQ-UHFFFAOYSA-N 0 2 319.744 3.047 20 0 DGADLN C[C@H](COc1ccccc1)NC(=O)c1cccc(Cl)c1O ZINC000775665774 623308825 /nfs/dbraw/zinc/30/88/25/623308825.db2.gz YTUOIKRUCVDHRW-LLVKDONJSA-N 0 2 305.761 3.243 20 0 DGADLN CN(CCc1ccc(F)cc1)C(=O)c1cccc(Cl)c1O ZINC000775671186 623310494 /nfs/dbraw/zinc/31/04/94/623310494.db2.gz XUBMFXSXPOSFLO-UHFFFAOYSA-N 0 2 307.752 3.499 20 0 DGADLN O=C(NCc1nc2c(s1)CCCC2)c1cccc(Cl)c1O ZINC000775701888 623315563 /nfs/dbraw/zinc/31/55/63/623315563.db2.gz OLBPOTHDLGOUDZ-UHFFFAOYSA-N 0 2 322.817 3.311 20 0 DGADLN O=C(Nc1n[nH]c2ccc(F)cc21)c1cccc(Cl)c1O ZINC000775711122 623317280 /nfs/dbraw/zinc/31/72/80/623317280.db2.gz UNEDDEGEGFQDBF-UHFFFAOYSA-N 0 2 305.696 3.313 20 0 DGADLN O=C(N[C@@H]1CCc2c1cccc2O)c1cccc(Cl)c1O ZINC000775740958 623323619 /nfs/dbraw/zinc/32/36/19/623323619.db2.gz OYPKDEJTVLSBSF-CYBMUJFWSA-N 0 2 303.745 3.169 20 0 DGADLN Cc1csc(C(C)(C)NC(=O)c2cccc(Cl)c2O)n1 ZINC000775747363 623324211 /nfs/dbraw/zinc/32/42/11/623324211.db2.gz KSFSBACRMOIQTI-UHFFFAOYSA-N 0 2 310.806 3.476 20 0 DGADLN O=C(c1cccc(Cl)c1O)N1CCc2ccccc2CC1 ZINC000775747092 623324559 /nfs/dbraw/zinc/32/45/59/623324559.db2.gz OZORVIXANZYCNR-UHFFFAOYSA-N 0 2 301.773 3.287 20 0 DGADLN CO[C@@]1(C)C[C@H](N(C)C(=O)c2cccc(Cl)c2O)C1(C)C ZINC000775762357 623327425 /nfs/dbraw/zinc/32/74/25/623327425.db2.gz HBZABPYEYJMVKF-LRDDRELGSA-N 0 2 311.809 3.321 20 0 DGADLN O=C(c1cccc(Cl)c1O)N1CCOC[C@H]1c1ccccc1 ZINC000775765420 623328339 /nfs/dbraw/zinc/32/83/39/623328339.db2.gz OHUCOHQPZDEKIX-HNNXBMFYSA-N 0 2 317.772 3.259 20 0 DGADLN O=C(c1cccc(Cl)c1O)N1CCc2ccc(F)cc2C1 ZINC000775783251 623331172 /nfs/dbraw/zinc/33/11/72/623331172.db2.gz UATJDORUCNAOIE-UHFFFAOYSA-N 0 2 305.736 3.383 20 0 DGADLN C[C@H](NC(=O)c1cccc(Cl)c1O)[C@H](O)c1cccc(F)c1 ZINC000775780798 623331674 /nfs/dbraw/zinc/33/16/74/623331674.db2.gz UBNBATPIWHGEGQ-XPTSAGLGSA-N 0 2 323.751 3.037 20 0 DGADLN CC(C)(C)[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2O)CCO1 ZINC000775804381 623334307 /nfs/dbraw/zinc/33/43/07/623334307.db2.gz IULSNRWZDOSFGH-MFKMUULPSA-N 0 2 311.809 3.369 20 0 DGADLN CN1CCc2ccc(NC(=O)c3cccc(Cl)c3O)cc21 ZINC000775989082 623361474 /nfs/dbraw/zinc/36/14/74/623361474.db2.gz FZWQIJFDOJKEOV-UHFFFAOYSA-N 0 2 302.761 3.290 20 0 DGADLN Cc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1N1CCCC1 ZINC000874946192 623399977 /nfs/dbraw/zinc/39/99/77/623399977.db2.gz ZOUGOUHITBWMKH-UHFFFAOYSA-N 0 2 321.384 3.119 20 0 DGADLN O=C(Nc1nc(C(F)(F)F)c[nH]1)c1cccc(Cl)c1O ZINC000776232918 623400231 /nfs/dbraw/zinc/40/02/31/623400231.db2.gz ULFDDALTRYXQON-UHFFFAOYSA-N 0 2 305.643 3.040 20 0 DGADLN O=C(c1cccc(Cl)c1O)N1CC(Cc2ccccc2)C1 ZINC000779088613 623729104 /nfs/dbraw/zinc/72/91/04/623729104.db2.gz SZWBHEBQGTUUSQ-UHFFFAOYSA-N 0 2 301.773 3.360 20 0 DGADLN CN(CC1(O)CCCCCC1)C(=O)c1cccc(Cl)c1O ZINC000779290948 623755795 /nfs/dbraw/zinc/75/57/95/623755795.db2.gz FBHQSEYZMDGVPZ-UHFFFAOYSA-N 0 2 311.809 3.203 20 0 DGADLN Cc1ccc(C2(C(=O)NOC3CCCCC3)CCOCC2)cc1 ZINC000779322527 623759377 /nfs/dbraw/zinc/75/93/77/623759377.db2.gz ZCQYGRGELVMCNX-UHFFFAOYSA-N 0 2 317.429 3.424 20 0 DGADLN Cc1nc(NS(=O)(=O)c2cccc(C(F)F)c2)sc1C ZINC000780703344 623971207 /nfs/dbraw/zinc/97/12/07/623971207.db2.gz INIRWEYGFINEGA-UHFFFAOYSA-N 0 2 318.370 3.498 20 0 DGADLN Cc1cnc(C[NH+]2CCC(Cc3n[nH]c(C(C)C)n3)CC2)s1 ZINC000878797286 624361944 /nfs/dbraw/zinc/36/19/44/624361944.db2.gz KASBJPJEEXBHKO-UHFFFAOYSA-N 0 2 319.478 3.148 20 0 DGADLN O=C(NCc1ccnc(Oc2ccccc2F)c1)C(F)(F)F ZINC000787715539 625039670 /nfs/dbraw/zinc/03/96/70/625039670.db2.gz GIGBCFAKWLHBCH-UHFFFAOYSA-N 0 2 314.238 3.192 20 0 DGADLN CCc1ccc(S(=O)(=O)Nc2ncsc2C2CC2)cc1 ZINC000882770898 625812083 /nfs/dbraw/zinc/81/20/83/625812083.db2.gz GJLBZCATZUIHKA-UHFFFAOYSA-N 0 2 308.428 3.384 20 0 DGADLN Cc1cccc(NS(=O)(=O)c2cnc3ccccc3c2)c1O ZINC000800837155 626378222 /nfs/dbraw/zinc/37/82/22/626378222.db2.gz BUGVCZFKMUVRHC-UHFFFAOYSA-N 0 2 314.366 3.050 20 0 DGADLN CCC(C)(C)C1CCC(CC(=O)OCc2n[nH]c(=O)[nH]2)CC1 ZINC000801475643 626405315 /nfs/dbraw/zinc/40/53/15/626405315.db2.gz VZWGKRBWEOLHSI-UHFFFAOYSA-N 0 2 309.410 3.186 20 0 DGADLN C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cccc(Cl)c1O ZINC000804450525 626680714 /nfs/dbraw/zinc/68/07/14/626680714.db2.gz WNZZIIPRCRVGAE-NEPJUHHUSA-N 0 2 311.809 3.201 20 0 DGADLN Cc1ccc2c(c1)CN(C(=O)c1cccc(Cl)c1O)CCO2 ZINC000804531774 626690420 /nfs/dbraw/zinc/69/04/20/626690420.db2.gz SMJPMAJARXBFSX-UHFFFAOYSA-N 0 2 317.772 3.389 20 0 DGADLN O=C(NOCC(F)(F)F)C1(c2cccc(Cl)c2)CCC1 ZINC000135210157 626915885 /nfs/dbraw/zinc/91/58/85/626915885.db2.gz DSFGHVYVKCFDFN-UHFFFAOYSA-N 0 2 307.699 3.372 20 0 DGADLN CC(C)(C)Oc1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC000810204585 626987758 /nfs/dbraw/zinc/98/77/58/626987758.db2.gz BBGANTCBDAQYLN-NSHDSACASA-N 0 2 307.287 3.381 20 0 DGADLN CC(C)(C)Oc1ccc(CNC(=O)[C@H](F)C(F)(F)F)cc1 ZINC000810204585 626987761 /nfs/dbraw/zinc/98/77/61/626987761.db2.gz BBGANTCBDAQYLN-NSHDSACASA-N 0 2 307.287 3.381 20 0 DGADLN CN(Cc1ccc(F)cc1Cl)C(=O)C(F)C(F)(F)F ZINC000810362352 627003646 /nfs/dbraw/zinc/00/36/46/627003646.db2.gz NWPIBLXZTQQELL-SECBINFHSA-N 0 2 301.642 3.338 20 0 DGADLN CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H](F)C(F)(F)F ZINC000810362352 627003647 /nfs/dbraw/zinc/00/36/47/627003647.db2.gz NWPIBLXZTQQELL-SECBINFHSA-N 0 2 301.642 3.338 20 0 DGADLN CC(C)(C)c1cccc(OCCNC(=O)C(F)C(F)(F)F)c1 ZINC000810401908 627004454 /nfs/dbraw/zinc/00/44/54/627004454.db2.gz CKFCDHHAIHCKRI-LBPRGKRZSA-N 0 2 321.314 3.380 20 0 DGADLN CC(C)(C)c1cccc(OCCNC(=O)[C@H](F)C(F)(F)F)c1 ZINC000810401908 627004456 /nfs/dbraw/zinc/00/44/56/627004456.db2.gz CKFCDHHAIHCKRI-LBPRGKRZSA-N 0 2 321.314 3.380 20 0 DGADLN O=C(C(F)C(F)(F)F)N1CCC(F)(c2ccccc2)CC1 ZINC000811471665 627278428 /nfs/dbraw/zinc/27/84/28/627278428.db2.gz UURFOHASKVITIF-LLVKDONJSA-N 0 2 307.262 3.374 20 0 DGADLN O=C([C@@H](F)C(F)(F)F)N1CCC(F)(c2ccccc2)CC1 ZINC000811471665 627278429 /nfs/dbraw/zinc/27/84/29/627278429.db2.gz UURFOHASKVITIF-LLVKDONJSA-N 0 2 307.262 3.374 20 0 DGADLN CN(C)c1ccccc1CN(C)C(=O)c1cccc(Cl)c1O ZINC000811543838 627289683 /nfs/dbraw/zinc/28/96/83/627289683.db2.gz KPWUOSMZATWDDP-UHFFFAOYSA-N 0 2 318.804 3.384 20 0 DGADLN CCC[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ncccc1Cl ZINC000925263609 627725072 /nfs/dbraw/zinc/72/50/72/627725072.db2.gz JJFOWHDPKGMPJV-OCCSQVGLSA-N 0 2 304.825 3.446 20 0 DGADLN COc1ccc(CC(C)(C)NC(=O)C(F)C(F)(F)F)cc1 ZINC000816345899 627771331 /nfs/dbraw/zinc/77/13/31/627771331.db2.gz BZSDJNBHHUQPKG-NSHDSACASA-N 0 2 307.287 3.033 20 0 DGADLN COc1ccc(CC(C)(C)NC(=O)[C@H](F)C(F)(F)F)cc1 ZINC000816345899 627771334 /nfs/dbraw/zinc/77/13/34/627771334.db2.gz BZSDJNBHHUQPKG-NSHDSACASA-N 0 2 307.287 3.033 20 0 DGADLN O=C(NCC1C[C@H]2CC[C@@H](C1)S2)c1cc(F)c(O)c(F)c1 ZINC000927397988 628060148 /nfs/dbraw/zinc/06/01/48/628060148.db2.gz JKWNKNHDNCFBIW-UQPYNNQESA-N 0 2 313.369 3.074 20 0 DGADLN O=C(/C=C\[C@@H]1CCCO1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000819448393 628156558 /nfs/dbraw/zinc/15/65/58/628156558.db2.gz XSMZGOVWZPRXMG-TYRPZCRBSA-N 0 2 302.157 3.373 20 0 DGADLN O=C(N[C@H](c1ccccn1)C1CC1)c1cccc(Cl)c1O ZINC000928611470 628169209 /nfs/dbraw/zinc/16/92/09/628169209.db2.gz GXXFZAHJTNLVAS-AWEZNQCLSA-N 0 2 302.761 3.322 20 0 DGADLN CC(C)c1nnc(C[N@@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])o1 ZINC000827168364 628931588 /nfs/dbraw/zinc/93/15/88/628931588.db2.gz CCTLKSCQHWYFFU-KBPBESRZSA-N 0 2 321.421 3.048 20 0 DGADLN CC(C)c1nnc(C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])o1 ZINC000827168364 628931591 /nfs/dbraw/zinc/93/15/91/628931591.db2.gz CCTLKSCQHWYFFU-KBPBESRZSA-N 0 2 321.421 3.048 20 0 DGADLN CCCC[C@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000829265875 629144857 /nfs/dbraw/zinc/14/48/57/629144857.db2.gz DOXXWZLSROXSGW-OAHLLOKOSA-N 0 2 320.433 3.126 20 0 DGADLN CCCC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000829265875 629144860 /nfs/dbraw/zinc/14/48/60/629144860.db2.gz DOXXWZLSROXSGW-OAHLLOKOSA-N 0 2 320.433 3.126 20 0 DGADLN O=C([O-])N(CC1CC1)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000831826618 629416243 /nfs/dbraw/zinc/41/62/43/629416243.db2.gz RQTUUZBDGKKOSP-YRNVUSSQSA-N 0 2 307.221 3.160 20 0 DGADLN O=C([O-])N1CCC[C@@H](C[NH2+]c2ccc(N3CCCC3)cc2)C1 ZINC000831987721 629433595 /nfs/dbraw/zinc/43/35/95/629433595.db2.gz XWGXTIOMGGTQST-AWEZNQCLSA-N 0 2 303.406 3.089 20 0 DGADLN O=C([O-])N1CCC[C@@H](CNc2ccc([NH+]3CCCC3)cc2)C1 ZINC000831987721 629433601 /nfs/dbraw/zinc/43/36/01/629433601.db2.gz XWGXTIOMGGTQST-AWEZNQCLSA-N 0 2 303.406 3.089 20 0 DGADLN COc1ccc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832311052 629464007 /nfs/dbraw/zinc/46/40/07/629464007.db2.gz NGHOSQJDVMVMNK-INIZCTEOSA-N 0 2 303.333 3.092 20 0 DGADLN COc1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832311052 629464012 /nfs/dbraw/zinc/46/40/12/629464012.db2.gz NGHOSQJDVMVMNK-INIZCTEOSA-N 0 2 303.333 3.092 20 0 DGADLN Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C(=O)[O-])c1cccc(Cl)c1)CO2 ZINC000832961532 629540212 /nfs/dbraw/zinc/54/02/12/629540212.db2.gz DWZLNRHXVFIUBF-GDBMZVCRSA-N 0 2 317.772 3.497 20 0 DGADLN O=C([O-])c1sccc1C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000833348583 629589629 /nfs/dbraw/zinc/58/96/29/629589629.db2.gz MIBPINQSKOFWBS-UHFFFAOYSA-N 0 2 309.337 3.283 20 0 DGADLN O=C([O-])c1sccc1C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000833348583 629589632 /nfs/dbraw/zinc/58/96/32/629589632.db2.gz MIBPINQSKOFWBS-UHFFFAOYSA-N 0 2 309.337 3.283 20 0 DGADLN C[C@@H](Nc1cccc(C(=O)[O-])n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000833526262 629615697 /nfs/dbraw/zinc/61/56/97/629615697.db2.gz SDJKPIMWGGQLTA-GFCCVEGCSA-N 0 2 308.341 3.139 20 0 DGADLN CCn1c(C[N@@H+]2CCCCC[C@H]2C(=O)[O-])nc2c1cccc2F ZINC000833683234 629640764 /nfs/dbraw/zinc/64/07/64/629640764.db2.gz GLVINKSHBAOYFC-AWEZNQCLSA-N 0 2 319.380 3.025 20 0 DGADLN CCn1c(C[N@H+]2CCCCC[C@H]2C(=O)[O-])nc2c1cccc2F ZINC000833683234 629640765 /nfs/dbraw/zinc/64/07/65/629640765.db2.gz GLVINKSHBAOYFC-AWEZNQCLSA-N 0 2 319.380 3.025 20 0 DGADLN C[N@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1Br ZINC000833694184 629641277 /nfs/dbraw/zinc/64/12/77/629641277.db2.gz CXEJUAGCCHJJCI-UHFFFAOYSA-N 0 2 323.190 3.107 20 0 DGADLN C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1Br ZINC000833694184 629641278 /nfs/dbraw/zinc/64/12/78/629641278.db2.gz CXEJUAGCCHJJCI-UHFFFAOYSA-N 0 2 323.190 3.107 20 0 DGADLN COc1cc(C2(C(=O)NOC3CCC3)CCCC2)ccc1C ZINC000836798799 630165805 /nfs/dbraw/zinc/16/58/05/630165805.db2.gz SKTYRWJZGYQINR-UHFFFAOYSA-N 0 2 303.402 3.416 20 0 DGADLN C[C@@]1(CCNC(=O)c2c(O)cc(F)cc2F)CC1(Cl)Cl ZINC000836906408 630181935 /nfs/dbraw/zinc/18/19/35/630181935.db2.gz ABCYHDWEJPNLKV-GFCCVEGCSA-N 0 2 324.154 3.374 20 0 DGADLN CO[C@@H]1C[C@H](N(C)C(=O)c2cccc(Cl)c2O)C12CCC2 ZINC000837018295 630202846 /nfs/dbraw/zinc/20/28/46/630202846.db2.gz VHCRQDFKFCASHX-QWHCGFSZSA-N 0 2 309.793 3.075 20 0 DGADLN O=C(c1cccc(Cl)c1O)N1CCC[C@@]2(CCSC2)C1 ZINC000837100146 630213005 /nfs/dbraw/zinc/21/30/05/630213005.db2.gz VAMASILJKZLXAY-OAHLLOKOSA-N 0 2 311.834 3.405 20 0 DGADLN CCOc1ccc(C[C@H](C)CNC(=O)C(F)C(F)(F)F)cc1 ZINC000837223721 630229708 /nfs/dbraw/zinc/22/97/08/630229708.db2.gz LOHMFTPEDPYQLV-GXFFZTMASA-N 0 2 321.314 3.281 20 0 DGADLN CCOc1ccc(C[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000837223721 630229709 /nfs/dbraw/zinc/22/97/09/630229709.db2.gz LOHMFTPEDPYQLV-GXFFZTMASA-N 0 2 321.314 3.281 20 0 DGADLN O=C([O-])c1ccc[nH+]c1NC1CCC(O)(c2ccccc2)CC1 ZINC000843033993 630605899 /nfs/dbraw/zinc/60/58/99/630605899.db2.gz AVKDFEAYWBUHCK-UHFFFAOYSA-N 0 2 312.369 3.022 20 0 DGADLN C[C@@]1(c2cccc(F)c2)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000844674228 630766518 /nfs/dbraw/zinc/76/65/18/630766518.db2.gz FMUVIGYUHTUVSV-DGCLKSJQSA-N 0 2 307.262 3.216 20 0 DGADLN C[C@@]1(c2cccc(F)c2)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000844674228 630766521 /nfs/dbraw/zinc/76/65/21/630766521.db2.gz FMUVIGYUHTUVSV-DGCLKSJQSA-N 0 2 307.262 3.216 20 0 DGADLN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CCc2ccc(F)cc21 ZINC000845008884 631032923 /nfs/dbraw/zinc/03/29/23/631032923.db2.gz UPAWECGBSQEWSG-PELKAZGASA-N 0 2 307.262 3.214 20 0 DGADLN C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CCc2ccc(F)cc21 ZINC000845008884 631032932 /nfs/dbraw/zinc/03/29/32/631032932.db2.gz UPAWECGBSQEWSG-PELKAZGASA-N 0 2 307.262 3.214 20 0 DGADLN O=C(NOCc1ccc(F)cc1)C1([C@H]2CCCCO2)CCC1 ZINC000867395901 631196422 /nfs/dbraw/zinc/19/64/22/631196422.db2.gz SCHYJTPKOOSAKP-OAHLLOKOSA-N 0 2 307.365 3.113 20 0 DGADLN Cc1ccc(C2(C(=O)NOC3CCCC3)CCOCC2)cc1C ZINC000847663688 631508887 /nfs/dbraw/zinc/50/88/87/631508887.db2.gz ZTAHPKCUJUKLPD-UHFFFAOYSA-N 0 2 317.429 3.342 20 0 DGADLN C/C(=C\C[N@@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C)C(=O)[O-] ZINC000849346037 631898259 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ZINC000184047697 660153904 /nfs/dbraw/zinc/15/39/04/660153904.db2.gz LIHRFOFBIOPKDJ-UHFFFAOYSA-N 0 2 317.197 3.498 20 0 DGADLN COc1ccc(SCC(=O)NOCc2ccc(F)cc2)cc1 ZINC000184151038 660156856 /nfs/dbraw/zinc/15/68/56/660156856.db2.gz BPUWTVIDTKWNJU-UHFFFAOYSA-N 0 2 321.373 3.174 20 0 DGADLN COc1cnc([C@@H]2CCC[N@H+]2Cc2cc(C)cc(C)c2)[nH]c1=O ZINC000934276516 661693345 /nfs/dbraw/zinc/69/33/45/661693345.db2.gz OTPYTHMFRQRLFC-HNNXBMFYSA-N 0 2 313.401 3.145 20 0 DGADLN COc1cnc([C@H]2CCC[N@H+]2Cc2cc(C)cc(C)c2)[nH]c1=O ZINC000934276517 661693357 /nfs/dbraw/zinc/69/33/57/661693357.db2.gz OTPYTHMFRQRLFC-OAHLLOKOSA-N 0 2 313.401 3.145 20 0 DGADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)C[C@H]1CC=CCC1 ZINC000935795171 661811432 /nfs/dbraw/zinc/81/14/32/661811432.db2.gz VXFJOHSWJPDHMC-LBPRGKRZSA-N 0 2 312.373 3.171 20 0 DGADLN CCCCC1(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CC1 ZINC000935869452 661816528 /nfs/dbraw/zinc/81/65/28/661816528.db2.gz QAOXGGFSQAXYPO-UHFFFAOYSA-N 0 2 300.362 3.086 20 0 DGADLN O=C(NOC[C@H]1CCOC1)C1(c2cccc(F)c2)CCCCC1 ZINC000188316990 661926048 /nfs/dbraw/zinc/92/60/48/661926048.db2.gz SCUSCOCCGRHTFQ-AWEZNQCLSA-N 0 2 321.392 3.112 20 0 DGADLN N#C[C@H](C(=O)Cc1ccccc1F)c1cnc2ccccc2n1 ZINC000190942061 662049573 /nfs/dbraw/zinc/04/95/73/662049573.db2.gz XMSBRVIQLBWERR-ZDUSSCGKSA-N 0 2 305.312 3.188 20 0 DGADLN Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2C)c(Cl)n1 ZINC000193320743 662130316 /nfs/dbraw/zinc/13/03/16/662130316.db2.gz OIKJRLBJYHJBKK-UHFFFAOYSA-N 0 2 321.789 3.024 20 0 DGADLN COc1ccccc1C1(NC(=O)c2cccc(Cl)c2O)CC1 ZINC001585737099 1192277798 /nfs/dbraw/zinc/27/77/98/1192277798.db2.gz HTLOSABKTZLLRY-UHFFFAOYSA-N 0 2 317.772 3.473 20 0 DGADLN CC(C)c1cccc(S(=O)(=O)Nc2ccnn2CC2CC2)c1 ZINC000128897984 1176211678 /nfs/dbraw/zinc/21/16/78/1176211678.db2.gz PBNPZRIRXLYSOW-UHFFFAOYSA-N 0 2 319.430 3.217 20 0 DGADLN Clc1ccc(CCNc2nc(Cl)nc3[nH]cnc32)s1 ZINC000226308908 1177218493 /nfs/dbraw/zinc/21/84/93/1177218493.db2.gz DXZORDJZRFFJOM-UHFFFAOYSA-N 0 2 314.201 3.376 20 0 DGADLN Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc(C(=O)[O-])c1 ZINC001600274070 1192823591 /nfs/dbraw/zinc/82/35/91/1192823591.db2.gz JYGWTAXRKFZITP-UHFFFAOYSA-N 0 2 321.336 3.131 20 0 DGADLN COc1nn(C)cc1Nc1nc2cc(Br)ccc2o1 ZINC001186316370 1177829038 /nfs/dbraw/zinc/82/90/38/1177829038.db2.gz SQMUXVIDJRAOCJ-UHFFFAOYSA-N 0 2 323.150 3.076 20 0 DGADLN Cc1ccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1C(=O)[O-] ZINC001600420287 1192850138 /nfs/dbraw/zinc/85/01/38/1192850138.db2.gz VARFSQOIIDHVNG-LLVKDONJSA-N 0 2 317.389 3.225 20 0 DGADLN Cc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001600414055 1192847590 /nfs/dbraw/zinc/84/75/90/1192847590.db2.gz FNRFCXRRPSEDPC-GOSISDBHSA-N 0 2 311.381 3.267 20 0 DGADLN Cc1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001600414055 1192847594 /nfs/dbraw/zinc/84/75/94/1192847594.db2.gz FNRFCXRRPSEDPC-GOSISDBHSA-N 0 2 311.381 3.267 20 0 DGADLN Cc1c(Cl)c(C(=O)[O-])nn1C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001600410077 1192847866 /nfs/dbraw/zinc/84/78/66/1192847866.db2.gz GHRCAUMIZQRVDE-UHFFFAOYSA-N 0 2 321.808 3.249 20 0 DGADLN Cc1c(Cl)c(C(=O)[O-])nn1C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001600410077 1192847872 /nfs/dbraw/zinc/84/78/72/1192847872.db2.gz GHRCAUMIZQRVDE-UHFFFAOYSA-N 0 2 321.808 3.249 20 0 DGADLN Cc1cccc(C[NH2+][C@H](C(=O)[O-])c2cccc3ccccc32)n1 ZINC001600532637 1192869306 /nfs/dbraw/zinc/86/93/06/1192869306.db2.gz XCVNURIZQNVNGD-SFHVURJKSA-N 0 2 306.365 3.459 20 0 DGADLN Cc1[nH+]c(C(=O)[O-])cn1Cc1cccc(C)c1Br ZINC001600536777 1192870115 /nfs/dbraw/zinc/87/01/15/1192870115.db2.gz PPYBJNPSVJVCEG-UHFFFAOYSA-N 0 2 309.163 3.009 20 0 DGADLN CC(C)c1oncc1NS(=O)(=O)c1cccc2c1CCCC2 ZINC001332258812 1178406547 /nfs/dbraw/zinc/40/65/47/1178406547.db2.gz SBXQOMCCKWENKQ-UHFFFAOYSA-N 0 2 320.414 3.478 20 0 DGADLN Cc1[nH]c(-c2ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc2)[nH+]c1C ZINC001600678829 1192890760 /nfs/dbraw/zinc/89/07/60/1192890760.db2.gz RATPATCXYCZMCF-SNVBAGLBSA-N 0 2 315.373 3.133 20 0 DGADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC001600685507 1192891857 /nfs/dbraw/zinc/89/18/57/1192891857.db2.gz OJXPORRSWKFSRI-ZBFHGGJFSA-N 0 2 300.358 3.200 20 0 DGADLN Cc1oc(CSCc2cc[nH+]c(N(C)C)c2)cc1C(=O)[O-] ZINC001600853767 1192904915 /nfs/dbraw/zinc/90/49/15/1192904915.db2.gz ARICJJMTVZOPRH-UHFFFAOYSA-N 0 2 306.387 3.181 20 0 DGADLN NC(Cc1cccs1)=[NH+]OCc1c(Cl)cccc1C(=O)[O-] ZINC001601175288 1192921605 /nfs/dbraw/zinc/92/16/05/1192921605.db2.gz AYLWUFNORQQQEO-UHFFFAOYSA-N 0 2 324.789 3.341 20 0 DGADLN O=C([O-])[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)c1cccs1 ZINC001601680442 1192939051 /nfs/dbraw/zinc/93/90/51/1192939051.db2.gz YCHPVVGHHLDYFZ-CYBMUJFWSA-N 0 2 322.386 3.412 20 0 DGADLN CC(C)(C)c1ccc(C2(C(=O)NOC3CCOCC3)CC2)cc1 ZINC001342916539 1179209598 /nfs/dbraw/zinc/20/95/98/1179209598.db2.gz VWVQPYSHDLEMOS-UHFFFAOYSA-N 0 2 317.429 3.243 20 0 DGADLN O=C([O-])c1cc(C[NH+]2CCC(=Cc3ccccc3F)CC2)on1 ZINC001602256231 1192965448 /nfs/dbraw/zinc/96/54/48/1192965448.db2.gz GOSWIZDIVFTUBZ-UHFFFAOYSA-N 0 2 316.332 3.191 20 0 DGADLN O=C([O-])c1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cs1 ZINC001602258667 1192965264 /nfs/dbraw/zinc/96/52/64/1192965264.db2.gz JDHHEXBRQFLEJU-RISCZKNCSA-N 0 2 307.346 3.008 20 0 DGADLN O=C([O-])c1ccc(-c2ccc(C[N@H+](C3CC3)C3COC3)o2)cc1 ZINC001602309507 1192968583 /nfs/dbraw/zinc/96/85/83/1192968583.db2.gz PPARQHIBPOZSPT-UHFFFAOYSA-N 0 2 313.353 3.008 20 0 DGADLN O=C([O-])c1ccc(-c2ccc(C[N@@H+](C3CC3)C3COC3)o2)cc1 ZINC001602309507 1192968584 /nfs/dbraw/zinc/96/85/84/1192968584.db2.gz PPARQHIBPOZSPT-UHFFFAOYSA-N 0 2 313.353 3.008 20 0 DGADLN O=C([O-])c1ccc(F)c2c1C[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC001602367617 1192975183 /nfs/dbraw/zinc/97/51/83/1192975183.db2.gz ITVQDGVFHGMYGI-UHFFFAOYSA-N 0 2 321.298 3.360 20 0 DGADLN O=C([O-])c1ccc(F)c2c1C[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC001602367617 1192975185 /nfs/dbraw/zinc/97/51/85/1192975185.db2.gz ITVQDGVFHGMYGI-UHFFFAOYSA-N 0 2 321.298 3.360 20 0 DGADLN O=C([O-])c1ccc(NCCc2coc(-c3ccccc3)n2)[nH+]c1 ZINC001602382112 1192976167 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C[C@@H](Nc1cc(CC(=O)[O-])cc[nH+]1)c1cccc(OC(F)F)c1 ZINC001604364888 1193069577 /nfs/dbraw/zinc/06/95/77/1193069577.db2.gz SVCILRLOCKUVFY-SNVBAGLBSA-N 0 2 322.311 3.483 20 0 DGADLN C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001604646630 1193086389 /nfs/dbraw/zinc/08/63/89/1193086389.db2.gz ZIWXVLUUUIHGSJ-FMKPAKJESA-N 0 2 317.433 3.373 20 0 DGADLN CC[C@H](CNc1cc(CC(=O)[O-])cc[nH+]1)Oc1ccccc1C ZINC001605043517 1193109428 /nfs/dbraw/zinc/10/94/28/1193109428.db2.gz WKQLCUKZHDRKAJ-OAHLLOKOSA-N 0 2 314.385 3.287 20 0 DGADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1coc(CO)c1 ZINC001545824378 1181767745 /nfs/dbraw/zinc/76/77/45/1181767745.db2.gz WLULZXCHDGXBTE-UHFFFAOYSA-N 0 2 302.113 3.037 20 0 DGADLN CCO[C@@H]1[C@H](C)[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001545825544 1181768702 /nfs/dbraw/zinc/76/87/02/1181768702.db2.gz JECVXXIFCPTTEF-KXHDPYLZSA-N 0 2 304.173 3.309 20 0 DGADLN CC[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)C[C@H](CC)O1 ZINC001605178536 1193125288 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Cc1cc(=O)[nH]c(O[C@@H](C)c2c(F)c(F)c(F)c(F)c2F)n1 ZINC001226155679 1096626356 /nfs/dbraw/zinc/62/63/56/1096626356.db2.gz GRXOKLCTQHLMIF-YFKPBYRVSA-N 0 2 320.217 3.326 20 0 DGADLN Cc1cc(=O)[nH]c(O[C@H](C)c2c(F)c(F)c(F)c(F)c2F)n1 ZINC001226155675 1096626445 /nfs/dbraw/zinc/62/64/45/1096626445.db2.gz GRXOKLCTQHLMIF-RXMQYKEDSA-N 0 2 320.217 3.326 20 0 DGADLN Cc1ccc(OC(C)C)c(COc2nc(C)[nH]c(=O)c2F)c1 ZINC001226425012 1096686133 /nfs/dbraw/zinc/68/61/33/1096686133.db2.gz TZBSWBAQRDZTHQ-UHFFFAOYSA-N 0 2 306.337 3.304 20 0 DGADLN Cc1nc(O[C@H](C)c2cc(-c3ccccc3)no2)c(F)c(=O)[nH]1 ZINC001226423602 1096686445 /nfs/dbraw/zinc/68/64/45/1096686445.db2.gz JZZTXGJKCMOKEU-SECBINFHSA-N 0 2 315.304 3.425 20 0 DGADLN C[C@@H](Oc1nc2nc[nH]c2c(=S)[nH]1)c1csc(Cl)c1 ZINC001226781299 1096774681 /nfs/dbraw/zinc/77/46/81/1096774681.db2.gz ACIWLEHPUUVTRH-RXMQYKEDSA-N 0 2 312.807 3.497 20 0 DGADLN CC[C@H](Oc1nc2nc[nH]c2c(=S)[nH]1)c1ccccc1F ZINC001226784469 1096776315 /nfs/dbraw/zinc/77/63/15/1096776315.db2.gz GIFGGTCCEAEVJM-JTQLQIEISA-N 0 2 304.350 3.311 20 0 DGADLN O=c1nc2ncsc2c(O[C@@H]2CCc3c2cc(F)cc3F)[nH]1 ZINC001227609093 1096960035 /nfs/dbraw/zinc/96/00/35/1096960035.db2.gz FGMZRORDUASVBD-SNVBAGLBSA-N 0 2 321.308 3.136 20 0 DGADLN C[C@H](Oc1[nH]c(=O)nc2ncn(C)c21)c1ccc2ccccc2c1 ZINC001228676643 1097165404 /nfs/dbraw/zinc/16/54/04/1097165404.db2.gz KJVUUTCXHPGWAW-NSHDSACASA-N 0 2 320.352 3.362 20 0 DGADLN CC1(C)C[C@H](Oc2[nH]c(=O)nc3c4ccccc4oc32)CCO1 ZINC001230666945 1097549384 /nfs/dbraw/zinc/54/93/84/1097549384.db2.gz PZKZTJKAOSHABX-SNVBAGLBSA-N 0 2 314.341 3.418 20 0 DGADLN COC1(C)CN(Cc2cc(Cl)c(O)c(Br)c2)C1 ZINC001231745430 1097831849 /nfs/dbraw/zinc/83/18/49/1097831849.db2.gz CORBSTIDNGVKHA-UHFFFAOYSA-N 0 2 320.614 3.029 20 0 DGADLN Oc1c(Cl)cc(CN2CCCCO2)cc1Br ZINC001231745686 1097832583 /nfs/dbraw/zinc/83/25/83/1097832583.db2.gz IKHYGAQQMDRZCH-UHFFFAOYSA-N 0 2 306.587 3.336 20 0 DGADLN COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1C(=O)[O-] ZINC001231749500 1097831710 /nfs/dbraw/zinc/83/17/10/1097831710.db2.gz JZTHGWOVILOKGM-OAHLLOKOSA-N 0 2 316.357 3.027 20 0 DGADLN COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1C(=O)[O-] ZINC001231749500 1097831712 /nfs/dbraw/zinc/83/17/12/1097831712.db2.gz JZTHGWOVILOKGM-OAHLLOKOSA-N 0 2 316.357 3.027 20 0 DGADLN O=C1CCN(Cc2ccc(Cl)c(O)c2Cl)CC[C@@H]1F ZINC001232625126 1098099407 /nfs/dbraw/zinc/09/94/07/1098099407.db2.gz JPEKDGZYYCKLEI-JTQLQIEISA-N 0 2 306.164 3.202 20 0 DGADLN CN(Cc1cnn(C)c1)Cc1ccc(Cl)c(O)c1Cl ZINC001232623752 1098098269 /nfs/dbraw/zinc/09/82/69/1098098269.db2.gz FWFPEPPPSYDTKF-UHFFFAOYSA-N 0 2 300.189 3.065 20 0 DGADLN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232624424 1098099248 /nfs/dbraw/zinc/09/92/48/1098099248.db2.gz PAEMRCWIZSPYPU-SNVBAGLBSA-N 0 2 318.200 3.084 20 0 DGADLN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232624424 1098099255 /nfs/dbraw/zinc/09/92/55/1098099255.db2.gz PAEMRCWIZSPYPU-SNVBAGLBSA-N 0 2 318.200 3.084 20 0 DGADLN [O-]c1c(Cl)ccc(C[NH+]2CC3(C2)CCOCC3)c1Cl ZINC001232631093 1098102195 /nfs/dbraw/zinc/10/21/95/1098102195.db2.gz KMIDBZCPPLSWGC-UHFFFAOYSA-N 0 2 302.201 3.311 20 0 DGADLN C[N@@H+](CCC(=O)c1ccccc1)Cc1cc(O)c(F)c(F)c1 ZINC001232973082 1098190302 /nfs/dbraw/zinc/19/03/02/1098190302.db2.gz MEAWRZLIWDJSRC-UHFFFAOYSA-N 0 2 305.324 3.375 20 0 DGADLN CN(CCC(=O)c1ccccc1)Cc1cc(O)c(F)c(F)c1 ZINC001232973082 1098190305 /nfs/dbraw/zinc/19/03/05/1098190305.db2.gz MEAWRZLIWDJSRC-UHFFFAOYSA-N 0 2 305.324 3.375 20 0 DGADLN C[N@H+](CCC(=O)c1ccccc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232973082 1098190308 /nfs/dbraw/zinc/19/03/08/1098190308.db2.gz MEAWRZLIWDJSRC-UHFFFAOYSA-N 0 2 305.324 3.375 20 0 DGADLN CC(C)(C)OC(=O)NC1(C)CN(Cc2ccc(S)cc2)C1 ZINC001233262056 1098268500 /nfs/dbraw/zinc/26/85/00/1098268500.db2.gz PAPDUEVIAKGWPO-UHFFFAOYSA-N 0 2 308.447 3.074 20 0 DGADLN CC(C)(C)OC(=O)NC1(C)C[NH+](Cc2ccc([S-])cc2)C1 ZINC001233262056 1098268506 /nfs/dbraw/zinc/26/85/06/1098268506.db2.gz PAPDUEVIAKGWPO-UHFFFAOYSA-N 0 2 308.447 3.074 20 0 DGADLN [S-]c1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)cc1 ZINC001233262097 1098268646 /nfs/dbraw/zinc/26/86/46/1098268646.db2.gz QLOYBDHDLIXHOY-UHFFFAOYSA-N 0 2 319.861 3.346 20 0 DGADLN O=c1ccoc2cc(O)cc(OC[C@@H]3CCc4ccccc4O3)c12 ZINC001233826778 1098438084 /nfs/dbraw/zinc/43/80/84/1098438084.db2.gz HAJGZDBHVRFCJN-AWEZNQCLSA-N 0 2 324.332 3.271 20 0 DGADLN C[C@@H](Oc1cc(O)cc2occc(=O)c12)c1cnc2ccccn21 ZINC001233828092 1098438660 /nfs/dbraw/zinc/43/86/60/1098438660.db2.gz WRCZPNCDUAUWSR-LLVKDONJSA-N 0 2 322.320 3.286 20 0 DGADLN O=C(Nc1ccccc1[S-])[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176963769 1098457579 /nfs/dbraw/zinc/45/75/79/1098457579.db2.gz AGXNGPKCMOBSNI-ZDUSSCGKSA-N 0 2 313.426 3.225 20 0 DGADLN CC(C)=CCc1c(O)cc(OC[C@H]2CCO2)c2c(=O)ccoc12 ZINC001234756902 1098659477 /nfs/dbraw/zinc/65/94/77/1098659477.db2.gz XUJKFLPVIREMKN-GFCCVEGCSA-N 0 2 316.353 3.175 20 0 DGADLN O=C([O-])c1c(Cl)ccc(-c2cc(-n3ccnc3)cc[nH+]2)c1F ZINC001236150976 1099434331 /nfs/dbraw/zinc/43/43/31/1099434331.db2.gz NXJJMGARQQEDSG-UHFFFAOYSA-N 0 2 317.707 3.425 20 0 DGADLN O=S(=O)(CCc1cccc2ccccc21)Nc1cncs1 ZINC001187616243 1099558430 /nfs/dbraw/zinc/55/84/30/1099558430.db2.gz KMBFXZADTKPQRC-UHFFFAOYSA-N 0 2 318.423 3.281 20 0 DGADLN O=C(Nc1cccc2c1C(=O)CCC2)c1ncc(C(F)(F)F)[nH]1 ZINC001188289050 1099725966 /nfs/dbraw/zinc/72/59/66/1099725966.db2.gz PRZKIHIQZFMVLY-UHFFFAOYSA-N 0 2 323.274 3.200 20 0 DGADLN C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(O)c1 ZINC001236710239 1099752678 /nfs/dbraw/zinc/75/26/78/1099752678.db2.gz LZIYUKZAYMGCRL-HOTGVXAUSA-N 0 2 306.425 3.370 20 0 DGADLN C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(O)c1 ZINC001236710239 1099752682 /nfs/dbraw/zinc/75/26/82/1099752682.db2.gz LZIYUKZAYMGCRL-HOTGVXAUSA-N 0 2 306.425 3.370 20 0 DGADLN COc1cc(NS(=O)(=O)c2ccoc2)cc2ccccc21 ZINC001188614260 1099794572 /nfs/dbraw/zinc/79/45/72/1099794572.db2.gz PZWFQPMJTIGMAI-UHFFFAOYSA-N 0 2 303.339 3.242 20 0 DGADLN O=S(=O)(Nc1ccccn1)c1ccc(F)c2ccccc21 ZINC001189347453 1100017338 /nfs/dbraw/zinc/01/73/38/1100017338.db2.gz GIZIIYRZFDCMMG-UHFFFAOYSA-N 0 2 302.330 3.175 20 0 DGADLN Cc1ccc(NS(=O)(=O)c2ccc(F)c3ccccc32)nc1 ZINC001189349258 1100043443 /nfs/dbraw/zinc/04/34/43/1100043443.db2.gz WABDXGVJHZQAHZ-UHFFFAOYSA-N 0 2 316.357 3.483 20 0 DGADLN Cc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1F ZINC001190347157 1100250872 /nfs/dbraw/zinc/25/08/72/1100250872.db2.gz AAWJCOUJYGLVRI-UHFFFAOYSA-N 0 2 301.289 3.213 20 0 DGADLN O=S(=O)(Nc1ccc(F)c(F)c1)c1cc(F)cc(F)c1F ZINC001190348767 1100251718 /nfs/dbraw/zinc/25/17/18/1100251718.db2.gz XGDVBZWVYZEATE-UHFFFAOYSA-N 0 2 323.242 3.183 20 0 DGADLN C[N@H+](Cc1cnc(Cl)s1)Cc1ccc(F)cc1C(=O)[O-] ZINC001238233615 1100400062 /nfs/dbraw/zinc/40/00/62/1100400062.db2.gz NDYFGKXTNZCHQH-UHFFFAOYSA-N 0 2 314.769 3.266 20 0 DGADLN C[N@@H+](Cc1cnc(Cl)s1)Cc1ccc(F)cc1C(=O)[O-] ZINC001238233615 1100400080 /nfs/dbraw/zinc/40/00/80/1100400080.db2.gz NDYFGKXTNZCHQH-UHFFFAOYSA-N 0 2 314.769 3.266 20 0 DGADLN COc1ccc2cccnc2c1NS(=O)(=O)CC1CCCC1 ZINC001191535016 1100479902 /nfs/dbraw/zinc/47/99/02/1100479902.db2.gz BFGNYDVHFRZMRS-UHFFFAOYSA-N 0 2 320.414 3.175 20 0 DGADLN Cc1cc(F)c(F)cc1NS(=O)(=O)C(Cl)(Cl)Cl ZINC001192035317 1100565403 /nfs/dbraw/zinc/56/54/03/1100565403.db2.gz PUTISEFAOAMJDH-UHFFFAOYSA-N 0 2 324.563 3.343 20 0 DGADLN CN(Cc1nc2ccccc2o1)C(=O)c1c(F)ccc(F)c1O ZINC001192703266 1100653925 /nfs/dbraw/zinc/65/39/25/1100653925.db2.gz RVUYCGMIWNVOKF-UHFFFAOYSA-N 0 2 318.279 3.084 20 0 DGADLN O=C(c1c(F)ccc(F)c1O)N1CCC[C@@H]1c1ccccn1 ZINC001192705623 1100656468 /nfs/dbraw/zinc/65/64/68/1100656468.db2.gz BKJVGXKMFBJDAP-CYBMUJFWSA-N 0 2 304.296 3.043 20 0 DGADLN O=C(N[C@@H](c1ncccc1F)C1CC1)c1c(F)ccc(F)c1O ZINC001192718233 1100658138 /nfs/dbraw/zinc/65/81/38/1100658138.db2.gz SRRZUUNBABPNOB-CYBMUJFWSA-N 0 2 322.286 3.086 20 0 DGADLN Cn1c(CNC(=O)c2c(F)ccc(F)c2O)cc2ccccc21 ZINC001192716406 1100658276 /nfs/dbraw/zinc/65/82/76/1100658276.db2.gz NGKLTSRDZORILU-UHFFFAOYSA-N 0 2 316.307 3.092 20 0 DGADLN Cc1ccc(CCNC(=O)c2c(F)ccc(F)c2O)c(C)c1 ZINC001192716515 1100658306 /nfs/dbraw/zinc/65/83/06/1100658306.db2.gz RDVCURCUBGKNAK-UHFFFAOYSA-N 0 2 305.324 3.260 20 0 DGADLN O=C(NCc1nccc2ccccc21)c1c(F)ccc(F)c1O ZINC001192716607 1100658353 /nfs/dbraw/zinc/65/83/53/1100658353.db2.gz URYVACHVONAVOK-UHFFFAOYSA-N 0 2 314.291 3.149 20 0 DGADLN CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)nc2)c1 ZINC001192775163 1100659861 /nfs/dbraw/zinc/65/98/61/1100659861.db2.gz JIFBINQKHVUELD-UHFFFAOYSA-N 0 2 320.414 3.016 20 0 DGADLN O=C(NCc1ccc2c(c1)CCC2)c1ccc(F)c(F)c1O ZINC001192784414 1100660775 /nfs/dbraw/zinc/66/07/75/1100660775.db2.gz JZXNWBLUGHBUPZ-UHFFFAOYSA-N 0 2 303.308 3.089 20 0 DGADLN O=C(c1ccc(F)c(F)c1O)N1CCC[C@H]1c1nccs1 ZINC001192807332 1100664047 /nfs/dbraw/zinc/66/40/47/1100664047.db2.gz SHJQOYFXJFAXFK-JTQLQIEISA-N 0 2 310.325 3.104 20 0 DGADLN O=C(N[C@@H](c1ccnc(F)c1)C1CC1)c1ccc(F)c(F)c1O ZINC001192818088 1100665784 /nfs/dbraw/zinc/66/57/84/1100665784.db2.gz LLTRVNCCFHZKCU-CQSZACIVSA-N 0 2 322.286 3.086 20 0 DGADLN CC(C)[C@H](NC(=O)c1ccc(F)c(F)c1O)c1cccnc1 ZINC001192818915 1100666102 /nfs/dbraw/zinc/66/61/02/1100666102.db2.gz UAGVEKKAJKWDSM-AWEZNQCLSA-N 0 2 306.312 3.193 20 0 DGADLN Cc1cccc(C(C)(C)CNC(=O)c2ccc(F)c(F)c2O)n1 ZINC001192819515 1100666203 /nfs/dbraw/zinc/66/62/03/1100666203.db2.gz ZBDUCWFGQFMBAN-UHFFFAOYSA-N 0 2 320.339 3.081 20 0 DGADLN Cc1n[nH]c2cc(NC(=O)c3cc(F)c(O)cc3F)ccc12 ZINC001192871172 1100668758 /nfs/dbraw/zinc/66/87/58/1100668758.db2.gz DJYDJPSKOVNKTI-UHFFFAOYSA-N 0 2 303.268 3.107 20 0 DGADLN O=C(c1ccc(O)c(F)c1F)N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001192841358 1100670393 /nfs/dbraw/zinc/67/03/93/1100670393.db2.gz ZSOQZVCJXOOFQY-PHIMTYICSA-N 0 2 315.319 3.397 20 0 DGADLN O=C(Nc1cc2ccccc2oc1=O)c1cc(F)c(O)cc1F ZINC001192853901 1100671973 /nfs/dbraw/zinc/67/19/73/1100671973.db2.gz XLCGXNRTYGESJM-UHFFFAOYSA-N 0 2 317.247 3.029 20 0 DGADLN Cc1nc2sccc2c(NC(=O)c2cc(F)c(O)cc2F)n1 ZINC001192853970 1100672087 /nfs/dbraw/zinc/67/20/87/1100672087.db2.gz 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CCc1nc(C[NH2+][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cs1 ZINC000417565995 434441996 /nfs/dbraw/zinc/44/19/96/434441996.db2.gz QMJVVVDIHYUZJL-OAHLLOKOSA-N 0 2 304.415 3.238 20 0 DGADLN CC[N@@H+]1CCN(c2cc(C)[nH+]c3ccccc32)C[C@@H]1c1ncc[nH]1 ZINC000360003781 434469521 /nfs/dbraw/zinc/46/95/21/434469521.db2.gz ATWZNXSPVGNPGO-GOSISDBHSA-N 0 2 321.428 3.150 20 0 DGADLN C[C@@H]1CCc2c(C(=O)N=c3ccc(C4CC4)n[nH]3)csc2C1 ZINC000522540188 294920590 /nfs/dbraw/zinc/92/05/90/294920590.db2.gz WXYFGHDLAHCJOE-SNVBAGLBSA-N 0 2 313.426 3.215 20 0 DGADLN CCCCN(CCCC)C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000348710471 434458121 /nfs/dbraw/zinc/45/81/21/434458121.db2.gz ZSWBWPMSZDGHAS-UHFFFAOYSA-N 0 2 317.389 3.072 20 0 DGADLN Cc1nc(NS(=O)(=O)Cc2c(C)cccc2C)sc1C ZINC000450968037 434508648 /nfs/dbraw/zinc/50/86/48/434508648.db2.gz MKCVEJGAXXWQGE-UHFFFAOYSA-N 0 2 310.444 3.319 20 0 DGADLN O=C([O-])c1ccc(C[NH2+]Cc2c(F)cccc2F)nc1C1CC1 ZINC000417713363 434508998 /nfs/dbraw/zinc/50/89/98/434508998.db2.gz 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/nfs/dbraw/zinc/16/81/21/295168121.db2.gz SPAAOPSKIRFFOL-QWHCGFSZSA-N 0 2 303.431 3.020 20 0 DGADLN COc1cccc([C@H](CN=c2nc(C(C)(C)C)[nH]s2)OC)c1 ZINC000528071873 295173005 /nfs/dbraw/zinc/17/30/05/295173005.db2.gz UWKRWEKVONFUQP-ZDUSSCGKSA-N 0 2 321.446 3.066 20 0 DGADLN C/C=C\c1ccc(NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)cc1 ZINC000360320176 434574641 /nfs/dbraw/zinc/57/46/41/434574641.db2.gz RTDYDSZBRCMRSP-IHWYPQMZSA-N 0 2 321.336 3.315 20 0 DGADLN C[C@H]1C[C@H](NC(=O)C2=NN(c3ccccc3)CC2=O)C[C@@H](C)C1 ZINC000439492051 434616565 /nfs/dbraw/zinc/61/65/65/434616565.db2.gz LPDKUBYUOLQHTQ-WDNDVIMCSA-N 0 2 313.401 3.132 20 0 DGADLN CCCn1ncc(NC(=O)c2cc(F)c(O)c(F)c2)c1C1CC1 ZINC000452465966 434619599 /nfs/dbraw/zinc/61/95/99/434619599.db2.gz MUFGBSSJGDVOSS-UHFFFAOYSA-N 0 2 321.327 3.407 20 0 DGADLN CSc1cccc(NS(=O)(=O)c2sc(C)nc2C)c1 ZINC000360514954 434625505 /nfs/dbraw/zinc/62/55/05/434625505.db2.gz LLMVXWCNHXBEBT-UHFFFAOYSA-N 0 2 314.457 3.283 20 0 DGADLN CCc1nsc(N[C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)n1 ZINC000409515241 434604857 /nfs/dbraw/zinc/60/48/57/434604857.db2.gz DDQSYMHFAHFKLU-XYPYZODXSA-N 0 2 307.394 3.028 20 0 DGADLN O=C(CCC1CCCCC1)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000354200689 434665512 /nfs/dbraw/zinc/66/55/12/434665512.db2.gz POPRFAGSKNCEJT-UHFFFAOYSA-N 0 2 315.373 3.329 20 0 DGADLN CCCc1nsc(N[C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)n1 ZINC000461952218 434893250 /nfs/dbraw/zinc/89/32/50/434893250.db2.gz ZOLYGHPLLWDAJG-HAQNSBGRSA-N 0 2 321.421 3.418 20 0 DGADLN Cc1cc(=NC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)[nH]nc1C ZINC000462192813 434904082 /nfs/dbraw/zinc/90/40/82/434904082.db2.gz CTJJTBPDERKSNQ-OAHLLOKOSA-N 0 2 324.428 3.348 20 0 DGADLN O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1cccc2[nH]nnc21 ZINC000573540473 434906392 /nfs/dbraw/zinc/90/63/92/434906392.db2.gz OBRUHIZYKHKRHQ-LSDHHAIUSA-N 0 2 320.396 3.414 20 0 DGADLN Cc1ccsc1S(=O)(=O)Nc1ccc2nc(C)oc2c1 ZINC000573051883 434869558 /nfs/dbraw/zinc/86/95/58/434869558.db2.gz AQYVVYSOPFCCOQ-UHFFFAOYSA-N 0 2 308.384 3.307 20 0 DGADLN Cc1ccc(F)c(S(=O)(=O)Nc2cc3c(cn2)CCCC3)c1 ZINC000461211069 434873452 /nfs/dbraw/zinc/87/34/52/434873452.db2.gz LHONMQBFZHVNLU-UHFFFAOYSA-N 0 2 320.389 3.209 20 0 DGADLN CCCc1nc(C)c(C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])o1 ZINC000573927265 434937395 /nfs/dbraw/zinc/93/73/95/434937395.db2.gz JQLALARUCRZKGA-QGZVFWFLSA-N 0 2 314.385 3.120 20 0 DGADLN CCCc1nc(C)c(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])o1 ZINC000573927265 434937399 /nfs/dbraw/zinc/93/73/99/434937399.db2.gz JQLALARUCRZKGA-QGZVFWFLSA-N 0 2 314.385 3.120 20 0 DGADLN O=C([O-])CC[C@H]1CCC[N@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000573971710 434940743 /nfs/dbraw/zinc/94/07/43/434940743.db2.gz BCPYJLFKLWHGBI-CYBMUJFWSA-N 0 2 321.421 3.194 20 0 DGADLN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000573971710 434940748 /nfs/dbraw/zinc/94/07/48/434940748.db2.gz BCPYJLFKLWHGBI-CYBMUJFWSA-N 0 2 321.421 3.194 20 0 DGADLN Cn1ccc(-c2noc(-c3cccc(Br)c3O)n2)c1 ZINC000573827456 434929056 /nfs/dbraw/zinc/92/90/56/434929056.db2.gz NEWZNXMOWNBQPZ-UHFFFAOYSA-N 0 2 320.146 3.210 20 0 DGADLN Cc1cc(=NC(=O)C(C)(C)c2ccc(Cl)cc2)[nH]nc1C ZINC000524514734 434979350 /nfs/dbraw/zinc/97/93/50/434979350.db2.gz PXJKHDUUZZDTQZ-UHFFFAOYSA-N 0 2 303.793 3.085 20 0 DGADLN CCc1nsc(N[C@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000530936503 435060907 /nfs/dbraw/zinc/06/09/07/435060907.db2.gz MFIRBAWLKRTBTD-MNOVXSKESA-N 0 2 324.247 3.253 20 0 DGADLN FC(F)(F)c1nsc(NC[C@H]2CCCC(F)(F)C2)n1 ZINC000557685331 435064413 /nfs/dbraw/zinc/06/44/13/435064413.db2.gz BKDVGIPUVVDUJD-LURJTMIESA-N 0 2 301.284 3.216 20 0 DGADLN CCC[C@H](C)CC(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000557035701 435043824 /nfs/dbraw/zinc/04/38/24/435043824.db2.gz FFPVNKGNNWUFBO-JTQLQIEISA-N 0 2 302.378 3.251 20 0 DGADLN Cc1cc(=NC(=O)N2CCC[C@@H]2C2CCCCC2)[nH]nc1C ZINC000467483291 435122863 /nfs/dbraw/zinc/12/28/63/435122863.db2.gz FQCXXEGRNMHUTN-OAHLLOKOSA-N 0 2 302.422 3.092 20 0 DGADLN CCN(Cc1ccccc1Cl)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000467473352 435124193 /nfs/dbraw/zinc/12/41/93/435124193.db2.gz GADLLWNZHBJGSW-UHFFFAOYSA-N 0 2 318.808 3.223 20 0 DGADLN C[C@@H](CCCC(F)(F)F)NC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000494769090 435198898 /nfs/dbraw/zinc/19/88/98/435198898.db2.gz INFRRIFUNUGHOD-VIFPVBQESA-N 0 2 316.327 3.019 20 0 DGADLN Cc1nocc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639227398 435204003 /nfs/dbraw/zinc/20/40/03/435204003.db2.gz MDWLBVBZXPDOCQ-PKOBYXMFSA-N 0 2 311.429 3.441 20 0 DGADLN Cc1ccc(C(C)(C)CNC(=O)c2cccc3[nH]nnc32)c(C)c1 ZINC000579575709 435165484 /nfs/dbraw/zinc/16/54/84/435165484.db2.gz OVKWGVFUCFPXDJ-UHFFFAOYSA-N 0 2 322.412 3.282 20 0 DGADLN Cc1cc(F)cc(S(=O)(=O)Nc2ccc3ccccc3n2)c1 ZINC000476918575 435249056 /nfs/dbraw/zinc/24/90/56/435249056.db2.gz XPPGPPXZYOBUGM-UHFFFAOYSA-N 0 2 316.357 3.483 20 0 DGADLN CC(C)[C@@H](CNC(=O)N=c1cccn[nH]1)c1ccc(Cl)cc1 ZINC000477184989 435259979 /nfs/dbraw/zinc/25/99/79/435259979.db2.gz GVOCIOYDOMGLPU-CQSZACIVSA-N 0 2 318.808 3.113 20 0 DGADLN C[C@@H]1C[C@@H]1CC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000562114475 435253122 /nfs/dbraw/zinc/25/31/22/435253122.db2.gz CVIWSSVAAVBTKV-RKDXNWHRSA-N 0 2 307.806 3.265 20 0 DGADLN COc1cc(NS(=O)(=O)c2ccccc2F)c(C)cc1C ZINC000478682173 435308902 /nfs/dbraw/zinc/30/89/02/435308902.db2.gz OQTCYERZJDBQSV-UHFFFAOYSA-N 0 2 309.362 3.252 20 0 DGADLN CCCc1nsc(NC2CCN(c3cccs3)CC2)n1 ZINC000643146630 435272514 /nfs/dbraw/zinc/27/25/14/435272514.db2.gz XXJZCEKATNWSFS-UHFFFAOYSA-N 0 2 308.476 3.055 20 0 DGADLN C[C@H](CC(=O)N=c1nc(-c2cccnc2)[nH]s1)c1ccccc1 ZINC000534438774 435290643 /nfs/dbraw/zinc/29/06/43/435290643.db2.gz TVWDGIIYCAMHAU-GFCCVEGCSA-N 0 2 324.409 3.154 20 0 DGADLN CC(C)c1cc(N2CCC(CC(=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000583997255 435262252 /nfs/dbraw/zinc/26/22/52/435262252.db2.gz AKMNLCQRVYRXCM-UHFFFAOYSA-N 0 2 305.422 3.415 20 0 DGADLN COc1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc21 ZINC000639513537 435326644 /nfs/dbraw/zinc/32/66/44/435326644.db2.gz IMBLRNZZJQRXPS-UHFFFAOYSA-N 0 2 322.412 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CCCN(C(=O)C1=NN(c2ccc(F)cc2C)CC1=O)C(C)C ZINC000516491024 435533379 /nfs/dbraw/zinc/53/33/79/435533379.db2.gz SJGCCMRWHROCHK-UHFFFAOYSA-N 0 2 319.380 3.286 20 0 DGADLN Cc1cccc(C2(NC(=O)c3cccc4[nH]nnc43)CCC2)c1 ZINC000649013851 435489153 /nfs/dbraw/zinc/48/91/53/435489153.db2.gz YSUXJQHSTPSZLZ-UHFFFAOYSA-N 0 2 306.369 3.076 20 0 DGADLN C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000569009980 435495098 /nfs/dbraw/zinc/49/50/98/435495098.db2.gz CXWHGIIJQDIKKK-NSHDSACASA-N 0 2 317.389 3.258 20 0 DGADLN C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000569009980 435495104 /nfs/dbraw/zinc/49/51/04/435495104.db2.gz CXWHGIIJQDIKKK-NSHDSACASA-N 0 2 317.389 3.258 20 0 DGADLN C[C@@]1(c2ccccc2)C[N@@H+]([C@@H](C(=O)[O-])c2ccsc2)CCO1 ZINC000569491815 435536138 /nfs/dbraw/zinc/53/61/38/435536138.db2.gz CELKLCGKGALXHW-WBVHZDCISA-N 0 2 317.410 3.121 20 0 DGADLN C[C@@]1(c2ccccc2)C[N@H+]([C@@H](C(=O)[O-])c2ccsc2)CCO1 ZINC000569491815 435536142 /nfs/dbraw/zinc/53/61/42/435536142.db2.gz CELKLCGKGALXHW-WBVHZDCISA-N 0 2 317.410 3.121 20 0 DGADLN C[C@]1(c2ccccc2)C[N@@H+]([C@@H](C(=O)[O-])c2ccsc2)CCO1 ZINC000569491811 435536191 /nfs/dbraw/zinc/53/61/91/435536191.db2.gz CELKLCGKGALXHW-NVXWUHKLSA-N 0 2 317.410 3.121 20 0 DGADLN C[C@]1(c2ccccc2)C[N@H+]([C@@H](C(=O)[O-])c2ccsc2)CCO1 ZINC000569491811 435536197 /nfs/dbraw/zinc/53/61/97/435536197.db2.gz CELKLCGKGALXHW-NVXWUHKLSA-N 0 2 317.410 3.121 20 0 DGADLN CC(C)(C)c1n[n-]c(=NCc2c[nH+]c3ccc(Cl)cn23)s1 ZINC000539709453 435564691 /nfs/dbraw/zinc/56/46/91/435564691.db2.gz ZQPDJNUHASCUCP-UHFFFAOYSA-N 0 2 321.837 3.171 20 0 DGADLN C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000569985740 435577347 /nfs/dbraw/zinc/57/73/47/435577347.db2.gz RNBHWCQXDKLCRS-KBPBESRZSA-N 0 2 301.409 3.500 20 0 DGADLN COc1ccc2[nH+]c(N3CC[C@@](C(=O)[O-])(C(C)C)C3)ccc2c1 ZINC000649407237 435580379 /nfs/dbraw/zinc/58/03/79/435580379.db2.gz FYZOFVZZLUTPOC-SFHVURJKSA-N 0 2 314.385 3.181 20 0 DGADLN Cc1cc(S(=O)(=O)Nc2cccc3ccncc32)c(C)o1 ZINC000540648164 435612531 /nfs/dbraw/zinc/61/25/31/435612531.db2.gz LOGGSCNEPWYUIY-UHFFFAOYSA-N 0 2 302.355 3.245 20 0 DGADLN CC(C)C[C@@H](NC(=O)c1cccc2[nH]nnc21)c1ccccc1 ZINC000540963314 435630525 /nfs/dbraw/zinc/63/05/25/435630525.db2.gz CFKDCDNLBUZIQV-MRXNPFEDSA-N 0 2 308.385 3.475 20 0 DGADLN C[N@H+](Cc1ncc(C(C)(C)C)o1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000570576497 435633096 /nfs/dbraw/zinc/63/30/96/435633096.db2.gz FAVPNTGLCMMYHP-CQSZACIVSA-N 0 2 316.401 3.100 20 0 DGADLN C[N@@H+](Cc1ncc(C(C)(C)C)o1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000570576497 435633100 /nfs/dbraw/zinc/63/31/00/435633100.db2.gz FAVPNTGLCMMYHP-CQSZACIVSA-N 0 2 316.401 3.100 20 0 DGADLN Fc1cc(F)cc(-c2nsc(NC[C@@H]3CCSC3)n2)c1 ZINC000645228346 435599093 /nfs/dbraw/zinc/59/90/93/435599093.db2.gz ZUFXHMFJTPXTRD-QMMMGPOBSA-N 0 2 313.398 3.070 20 0 DGADLN Fc1cc(F)cc(-c2nc(=NC[C@@H]3CCSC3)s[nH]2)c1 ZINC000645228346 435599099 /nfs/dbraw/zinc/59/90/99/435599099.db2.gz ZUFXHMFJTPXTRD-QMMMGPOBSA-N 0 2 313.398 3.070 20 0 DGADLN C[C@@H]1CSC[C@H]1N=c1nc(-c2cc(F)cc(F)c2)[nH]s1 ZINC000645241626 435601689 /nfs/dbraw/zinc/60/16/89/435601689.db2.gz CHNNXFSUZDMVNY-RDDDGLTNSA-N 0 2 313.398 3.069 20 0 DGADLN Cc1oc(C[N@@H+]2CCc3cc(Cl)ccc3C2)cc1C(=O)[O-] ZINC000570729750 435646186 /nfs/dbraw/zinc/64/61/86/435646186.db2.gz KBUDLEOEYJEPPD-UHFFFAOYSA-N 0 2 305.761 3.498 20 0 DGADLN Cc1oc(C[N@H+]2CCc3cc(Cl)ccc3C2)cc1C(=O)[O-] ZINC000570729750 435646193 /nfs/dbraw/zinc/64/61/93/435646193.db2.gz KBUDLEOEYJEPPD-UHFFFAOYSA-N 0 2 305.761 3.498 20 0 DGADLN CCOC[C@H]1CCN(c2[nH+]c3ccccc3c(C)c2C(=O)[O-])C1 ZINC000570969749 435666060 /nfs/dbraw/zinc/66/60/60/435666060.db2.gz JDUOWDXLHKHGLO-ZDUSSCGKSA-N 0 2 314.385 3.104 20 0 DGADLN CCc1cnc(NS(=O)(=O)Cc2ccc(C(F)F)cc2)o1 ZINC000649597201 435638038 /nfs/dbraw/zinc/63/80/38/435638038.db2.gz WJKQMDQMKFAPIX-UHFFFAOYSA-N 0 2 316.329 3.117 20 0 DGADLN C[C@H]1CC[C@H](C)N1C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194309674 300063567 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435860048 /nfs/dbraw/zinc/86/00/48/435860048.db2.gz JNSYEQWLWQPHFK-UHFFFAOYSA-N 0 2 312.416 3.123 20 0 DGADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCC12CCCC2 ZINC000650125828 435827163 /nfs/dbraw/zinc/82/71/63/435827163.db2.gz PLJKWVHTZXVTSN-UHFFFAOYSA-N 0 2 320.443 3.239 20 0 DGADLN CC[C@H](OCCn1cn[n-]c1=[NH+]c1cccnc1)c1ccccc1 ZINC000650321271 435889232 /nfs/dbraw/zinc/88/92/32/435889232.db2.gz GJHDDDOWVYMHHQ-KRWDZBQOSA-N 0 2 323.400 3.007 20 0 DGADLN CCc1ccncc1NS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000650492321 435937028 /nfs/dbraw/zinc/93/70/28/435937028.db2.gz GJFGDKAUXBEIGE-UHFFFAOYSA-N 0 2 320.414 3.070 20 0 DGADLN C[C@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccsc2)CC2(CCCCC2)O1 ZINC000656192526 435908452 /nfs/dbraw/zinc/90/84/52/435908452.db2.gz ZHNMIPFTFRBIPQ-GXTWGEPZSA-N 0 2 309.431 3.297 20 0 DGADLN C[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccsc2)CC2(CCCCC2)O1 ZINC000656192526 435908457 /nfs/dbraw/zinc/90/84/57/435908457.db2.gz ZHNMIPFTFRBIPQ-GXTWGEPZSA-N 0 2 309.431 3.297 20 0 DGADLN Cc1cc(=NC(=O)[C@H](C)c2cccc(CC(C)C)c2)[nH]nc1C ZINC000572915164 435880343 /nfs/dbraw/zinc/88/03/43/435880343.db2.gz JJCJCRFLIJGIRC-CQSZACIVSA-N 0 2 311.429 3.456 20 0 DGADLN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+](C)Cc2ccsc2)c1 ZINC000652380168 435963218 /nfs/dbraw/zinc/96/32/18/435963218.db2.gz HRSARHSBJVXHPW-OAHLLOKOSA-N 0 2 321.398 3.023 20 0 DGADLN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+](C)Cc2ccsc2)c1 ZINC000652380168 435963221 /nfs/dbraw/zinc/96/32/21/435963221.db2.gz HRSARHSBJVXHPW-OAHLLOKOSA-N 0 2 321.398 3.023 20 0 DGADLN O=C([O-])c1cccc(Cl)c1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000652435625 435978416 /nfs/dbraw/zinc/97/84/16/435978416.db2.gz WLQCGLSULSSWPW-OAHLLOKOSA-N 0 2 321.760 3.205 20 0 DGADLN O=C([O-])c1cccc(Cl)c1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000652435625 435978424 /nfs/dbraw/zinc/97/84/24/435978424.db2.gz WLQCGLSULSSWPW-OAHLLOKOSA-N 0 2 321.760 3.205 20 0 DGADLN O=C([O-])c1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)s1 ZINC000652435056 435979066 /nfs/dbraw/zinc/97/90/66/435979066.db2.gz 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435994166 /nfs/dbraw/zinc/99/41/66/435994166.db2.gz PDLVCYUMHKVIMW-NSHDSACASA-N 0 2 315.373 3.011 20 0 DGADLN CC(C)c1noc([C@H](C)[N@H+]2CCc3cccc(C(=O)[O-])c3C2)n1 ZINC000652488350 435994169 /nfs/dbraw/zinc/99/41/69/435994169.db2.gz PDLVCYUMHKVIMW-NSHDSACASA-N 0 2 315.373 3.011 20 0 DGADLN Cc1c(NS(=O)(=O)c2ccc(F)cc2C)[nH]nc1C(C)C ZINC000647279098 435998172 /nfs/dbraw/zinc/99/81/72/435998172.db2.gz MJAJLQQUAMWUDM-UHFFFAOYSA-N 0 2 311.382 3.090 20 0 DGADLN Cc1c(NS(=O)(=O)c2ccc(F)cc2C)n[nH]c1C(C)C ZINC000647279098 435998176 /nfs/dbraw/zinc/99/81/76/435998176.db2.gz MJAJLQQUAMWUDM-UHFFFAOYSA-N 0 2 311.382 3.090 20 0 DGADLN Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)[nH]nc1C(C)C ZINC000647279168 435998247 /nfs/dbraw/zinc/99/82/47/435998247.db2.gz WMMYTMPEUHXEFA-UHFFFAOYSA-N 0 2 313.810 3.296 20 0 DGADLN Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)n[nH]c1C(C)C ZINC000647279168 435998255 /nfs/dbraw/zinc/99/82/55/435998255.db2.gz WMMYTMPEUHXEFA-UHFFFAOYSA-N 0 2 313.810 3.296 20 0 DGADLN CCc1ccc(C)nc1NS(=O)(=O)c1cc(C)sc1C ZINC000656737338 436020607 /nfs/dbraw/zinc/02/06/07/436020607.db2.gz BDAZMXTZTGFUOA-UHFFFAOYSA-N 0 2 310.444 3.432 20 0 DGADLN CCc1ccc(C)nc1NS(=O)(=O)c1cc(C)ccc1OC ZINC000656737661 436021125 /nfs/dbraw/zinc/02/11/25/436021125.db2.gz LNUHPNOOHPILIX-UHFFFAOYSA-N 0 2 320.414 3.070 20 0 DGADLN Cc1ccnc(NS(=O)(=O)c2cccc(F)c2)c1C1CC1 ZINC000656739451 436021703 /nfs/dbraw/zinc/02/17/03/436021703.db2.gz YDKBMKMHGNNJDS-UHFFFAOYSA-N 0 2 306.362 3.207 20 0 DGADLN O=C([O-])c1cc(N2CCC(COc3ccccc3)CC2)cc[nH+]1 ZINC000650766457 436024697 /nfs/dbraw/zinc/02/46/97/436024697.db2.gz KAOAICSYPKCZTF-UHFFFAOYSA-N 0 2 312.369 3.075 20 0 DGADLN C[C@H]1CN(c2[nH+]cccc2C(=O)[O-])CCc2ccc(F)cc21 ZINC000650777878 436028491 /nfs/dbraw/zinc/02/84/91/436028491.db2.gz VRGVAFDSGSXBLJ-NSHDSACASA-N 0 2 300.333 3.085 20 0 DGADLN O=C(N=c1cccn[nH]1)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000652677511 436029875 /nfs/dbraw/zinc/02/98/75/436029875.db2.gz QJZPUSKYMIQYNM-TZMCWYRMSA-N 0 2 316.792 3.010 20 0 DGADLN O=C([O-])c1ccc[nH+]c1NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000647446116 436050860 /nfs/dbraw/zinc/05/08/60/436050860.db2.gz ARQBPWUOTYVUOW-ZBFHGGJFSA-N 0 2 312.369 3.360 20 0 DGADLN O=C([O-])c1ccc[nH+]c1N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000647447450 436051645 /nfs/dbraw/zinc/05/16/45/436051645.db2.gz FQCAXOHAFFJVPO-DZGCQCFKSA-N 0 2 316.332 3.251 20 0 DGADLN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1[nH+]cccc1C(=O)[O-] ZINC000647450262 436051727 /nfs/dbraw/zinc/05/17/27/436051727.db2.gz HETFQOAVXHRHTC-YPMHNXCESA-N 0 2 300.333 3.301 20 0 DGADLN O=C(c1cc(F)c(O)c(Cl)c1)N1CCC2(CC2(F)F)CC1 ZINC000652844336 436054815 /nfs/dbraw/zinc/05/48/15/436054815.db2.gz BMCIMAFBEKGMBO-UHFFFAOYSA-N 0 2 319.710 3.446 20 0 DGADLN Cc1nnc(CC[NH2+][C@H](C)c2csc(-c3ccccc3)n2)[nH]1 ZINC000666126566 436149586 /nfs/dbraw/zinc/14/95/86/436149586.db2.gz YBUUNMUTPJDDKG-LLVKDONJSA-N 0 2 313.430 3.130 20 0 DGADLN Cc1cc(N2C[C@H](C(=O)[O-])C[C@H](C)C2)c2cccc(F)c2[nH+]1 ZINC000263249832 301343860 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RZOIGAQHWFTWOK-GFCCVEGCSA-N 0 2 316.430 3.120 20 0 DGADLN CCc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1C ZINC000354204274 434669874 /nfs/dbraw/zinc/66/98/74/434669874.db2.gz CPZXAUSVKGBCSN-UHFFFAOYSA-N 0 2 307.419 3.136 20 0 DGADLN CCOC(=O)c1coc(NCCc2csc3ccccc23)n1 ZINC000418855233 434720402 /nfs/dbraw/zinc/72/04/02/434720402.db2.gz UMBYDBLHEVLJBV-UHFFFAOYSA-N 0 2 316.382 3.143 20 0 DGADLN C[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000424564685 434742319 /nfs/dbraw/zinc/74/23/19/434742319.db2.gz PMALZKKIJQQGQL-GHMZBOCLSA-N 0 2 319.430 3.182 20 0 DGADLN C[C@@H]1C[C@H](C)CCN(C(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000183471264 297350675 /nfs/dbraw/zinc/35/06/75/297350675.db2.gz ZKHIQCOBXJZVRJ-RKDXNWHRSA-N 0 2 301.308 3.318 20 0 DGADLN C[C@@H]1C[C@H](C)CN1C(=O)c1cc(F)cc(Br)c1O ZINC000416153498 297363450 /nfs/dbraw/zinc/36/34/50/297363450.db2.gz CZXCZYWVRLRAKG-JGVFFNPUSA-N 0 2 316.170 3.164 20 0 DGADLN COc1cccc(S(O)=CC(=O)N[C@@H](C)CCC=C(C)C)c1 ZINC000424859084 434818227 /nfs/dbraw/zinc/81/82/27/434818227.db2.gz CNXYOXFMISJHNS-RCDICMHDSA-N 0 2 323.458 3.054 20 0 DGADLN Cc1cc(=NC(=O)[C@@H](C)CSc2ccc(F)cc2)[nH]nc1C ZINC000445806205 434825774 /nfs/dbraw/zinc/82/57/74/434825774.db2.gz SXNJCWXOHKRXSU-NSHDSACASA-N 0 2 319.405 3.021 20 0 DGADLN Cc1ccc(C)c(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000521889679 434898999 /nfs/dbraw/zinc/89/89/99/434898999.db2.gz GFTKJIXSUYEXGZ-UHFFFAOYSA-N 0 2 310.332 3.480 20 0 DGADLN C[C@@H](N=c1nc(C(C)(C)C)[nH]s1)c1ccc2n[nH]cc2c1 ZINC000553727904 434900924 /nfs/dbraw/zinc/90/09/24/434900924.db2.gz LBWYKEPYCOKAPW-SECBINFHSA-N 0 2 301.419 3.307 20 0 DGADLN O=c1nc(-c2ccncn2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000553974299 434908976 /nfs/dbraw/zinc/90/89/76/434908976.db2.gz RQIBNHPUJPKVOM-UHFFFAOYSA-N 0 2 324.340 3.248 20 0 DGADLN C[C@H]1CCCC[C@H]1CC(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552590971 434867296 /nfs/dbraw/zinc/86/72/96/434867296.db2.gz CNYIZAYELFMJGO-RYUDHWBXSA-N 0 2 314.389 3.332 20 0 DGADLN O=C(Nc1c(O)cccc1Cl)c1cccc(-c2nnc[nH]2)c1 ZINC000552780047 434870979 /nfs/dbraw/zinc/87/09/79/434870979.db2.gz SZIRTMFDPFBIAA-UHFFFAOYSA-N 0 2 314.732 3.083 20 0 DGADLN O=C([O-])[C@H](c1ccccc1)[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000574212570 434960197 /nfs/dbraw/zinc/96/01/97/434960197.db2.gz BCVVMZARFMBFFG-SJORKVTESA-N 0 2 315.344 3.025 20 0 DGADLN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000574212570 434960202 /nfs/dbraw/zinc/96/02/02/434960202.db2.gz BCVVMZARFMBFFG-SJORKVTESA-N 0 2 315.344 3.025 20 0 DGADLN CC(C)c1nsc(NCc2ccnc(C(F)(F)F)c2)n1 ZINC000556251289 435001910 /nfs/dbraw/zinc/00/19/10/435001910.db2.gz MHUDZHMZHJTWDL-UHFFFAOYSA-N 0 2 302.325 3.109 20 0 DGADLN CC[C@@H](C)[C@H](NS(=O)(=O)Cc1ccc(C)cc1)C(F)(F)F ZINC000558080269 435076966 /nfs/dbraw/zinc/07/69/66/435076966.db2.gz OYYCDWJPWBKYBC-YPMHNXCESA-N 0 2 323.380 3.391 20 0 DGADLN Cc1cc(F)cc(C(=O)N=c2ccc(-c3ccccc3)n[nH]2)c1 ZINC000466646863 435086700 /nfs/dbraw/zinc/08/67/00/435086700.db2.gz FMMRJHARVWPEQD-UHFFFAOYSA-N 0 2 307.328 3.265 20 0 DGADLN O=C(N=c1ccc(-c2ccccc2)n[nH]1)c1ccc2c(c1)CCC2 ZINC000466651990 435086721 /nfs/dbraw/zinc/08/67/21/435086721.db2.gz RKEXJBDFOQHFEK-UHFFFAOYSA-N 0 2 315.376 3.307 20 0 DGADLN C[C@@H]1CCCC[C@@H]1NC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000530856487 435056097 /nfs/dbraw/zinc/05/60/97/435056097.db2.gz NANAVIDJODOHLO-YPMHNXCESA-N 0 2 316.430 3.327 20 0 DGADLN Cc1cc(=NC(=O)N2CCC[C@H](C(C)(C)C)CC2)[nH]nc1C ZINC000467483575 435123205 /nfs/dbraw/zinc/12/32/05/435123205.db2.gz PEUDCADCVBXHOT-AWEZNQCLSA-N 0 2 304.438 3.195 20 0 DGADLN C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000532240699 435152295 /nfs/dbraw/zinc/15/22/95/435152295.db2.gz OAEHNMSYQHSWHO-CZUORRHYSA-N 0 2 308.853 3.485 20 0 DGADLN CCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000532440695 435165907 /nfs/dbraw/zinc/16/59/07/435165907.db2.gz FKIDZJPZGWCCCI-VQIMIIECSA-N 0 2 304.478 3.256 20 0 DGADLN CCc1nc(C[N@H+](C)[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cs1 ZINC000579603461 435166782 /nfs/dbraw/zinc/16/67/82/435166782.db2.gz XRLNASFSRUDTAU-JTQLQIEISA-N 0 2 308.403 3.498 20 0 DGADLN CCc1nc(C[N@@H+](C)[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cs1 ZINC000579603461 435166783 /nfs/dbraw/zinc/16/67/83/435166783.db2.gz XRLNASFSRUDTAU-JTQLQIEISA-N 0 2 308.403 3.498 20 0 DGADLN Fc1ccc(-c2ccc(C[NH+]=c3[n-]nc4ccccn43)o2)cc1 ZINC000475044224 435171607 /nfs/dbraw/zinc/17/16/07/435171607.db2.gz CQSRCKQBGOHLKY-UHFFFAOYSA-N 0 2 308.316 3.162 20 0 DGADLN COc1ccc(CNc2[nH+]cccc2C(=O)[O-])cc1OC(F)F ZINC000642326596 435222033 /nfs/dbraw/zinc/22/20/33/435222033.db2.gz WFQWVOHEFVCZER-UHFFFAOYSA-N 0 2 324.283 3.002 20 0 DGADLN CC(C)(C)c1nc(=NC(=O)c2cccc3ccncc32)s[nH]1 ZINC000648271773 435248482 /nfs/dbraw/zinc/24/84/82/435248482.db2.gz YUJDTWYHTFILAP-UHFFFAOYSA-N 0 2 312.398 3.058 20 0 DGADLN O=C(CCC1CCCCC1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000533724745 435255758 /nfs/dbraw/zinc/25/57/58/435255758.db2.gz DHTDIMVBPKYRLT-UHFFFAOYSA-N 0 2 316.430 3.321 20 0 DGADLN CCC(CC)[C@H](C)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000534210030 435271058 /nfs/dbraw/zinc/27/10/58/435271058.db2.gz BXNHMZWWKXKSQT-JTQLQIEISA-N 0 2 304.419 3.033 20 0 DGADLN CC(C)[C@H](CNc1nc(C2CCCC2)ns1)c1ccnn1C ZINC000643188530 435275384 /nfs/dbraw/zinc/27/53/84/435275384.db2.gz CCDZPDKKVRWKQW-ZDUSSCGKSA-N 0 2 319.478 3.203 20 0 DGADLN Cc1[nH+]c(C(C)(C)C)nc(N2CCC(CC(=O)[O-])CC2)c1C ZINC000584175332 435282229 /nfs/dbraw/zinc/28/22/29/435282229.db2.gz SUHPETKBRQNMID-UHFFFAOYSA-N 0 2 305.422 3.082 20 0 DGADLN C[C@@H]1CCC[C@@H](CC(=O)N=c2nc(-c3cccnc3)[nH]s2)C1 ZINC000534437653 435290576 /nfs/dbraw/zinc/29/05/76/435290576.db2.gz JHXNOJDBCGIEDY-VXGBXAGGSA-N 0 2 316.430 3.177 20 0 DGADLN CCc1ccc(S(=O)(=O)Nc2cc(C3CC3)n[nH]2)cc1CC ZINC000535228665 435324566 /nfs/dbraw/zinc/32/45/66/435324566.db2.gz CWFMWJCVRKTLNK-UHFFFAOYSA-N 0 2 319.430 3.213 20 0 DGADLN CCc1ccc(S(=O)(=O)Nc2cc(C3CC3)[nH]n2)cc1CC ZINC000535228665 435324572 /nfs/dbraw/zinc/32/45/72/435324572.db2.gz CWFMWJCVRKTLNK-UHFFFAOYSA-N 0 2 319.430 3.213 20 0 DGADLN CCc1nc([C@H]2CCCC[N@@H+]2Cc2cccc(C(=O)[O-])c2)no1 ZINC000643434612 435325781 /nfs/dbraw/zinc/32/57/81/435325781.db2.gz LQRHHMIXUSXBCN-CQSZACIVSA-N 0 2 315.373 3.057 20 0 DGADLN CCc1nc([C@H]2CCCC[N@H+]2Cc2cccc(C(=O)[O-])c2)no1 ZINC000643434612 435325784 /nfs/dbraw/zinc/32/57/84/435325784.db2.gz LQRHHMIXUSXBCN-CQSZACIVSA-N 0 2 315.373 3.057 20 0 DGADLN Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC000480023886 435362767 /nfs/dbraw/zinc/36/27/67/435362767.db2.gz YKPWSWOIAULYKL-HKUYNNGSSA-N 0 2 304.478 3.311 20 0 DGADLN CCN(CC1CCC1)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000478914616 435314024 /nfs/dbraw/zinc/31/40/24/435314024.db2.gz GQVDYLVXSFLPGP-UHFFFAOYSA-N 0 2 316.430 3.281 20 0 DGADLN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC000514609849 435424058 /nfs/dbraw/zinc/42/40/58/435424058.db2.gz MVXREOGJJNNTAL-LBPRGKRZSA-N 0 2 308.403 3.334 20 0 DGADLN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC000514609849 435424064 /nfs/dbraw/zinc/42/40/64/435424064.db2.gz MVXREOGJJNNTAL-LBPRGKRZSA-N 0 2 308.403 3.334 20 0 DGADLN Cc1[nH]c(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[nH+]c1C ZINC000568273460 435419467 /nfs/dbraw/zinc/41/94/67/435419467.db2.gz SAOBLRANDNZQFX-YOEHRIQHSA-N 0 2 318.490 3.261 20 0 DGADLN O=C([O-])[C@H]1CC[C@@H](Nc2[nH+]cccc2OCc2ccccc2)C1 ZINC000567985751 435377845 /nfs/dbraw/zinc/37/78/45/435377845.db2.gz QPINXWSOYCGOBD-LSDHHAIUSA-N 0 2 312.369 3.326 20 0 DGADLN CC(C)(C)[C@@H]1CCC[N@H+](Cc2noc(CCCC(=O)[O-])n2)CC1 ZINC000568520968 435444538 /nfs/dbraw/zinc/44/45/38/435444538.db2.gz REEHRKMCKJDOMW-CYBMUJFWSA-N 0 2 323.437 3.125 20 0 DGADLN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2noc(CCCC(=O)[O-])n2)CC1 ZINC000568520968 435444541 /nfs/dbraw/zinc/44/45/41/435444541.db2.gz REEHRKMCKJDOMW-CYBMUJFWSA-N 0 2 323.437 3.125 20 0 DGADLN O=C([O-])CCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000568404290 435433131 /nfs/dbraw/zinc/43/31/31/435433131.db2.gz LXRAGAJOYHXLOQ-AWEZNQCLSA-N 0 2 315.772 3.107 20 0 DGADLN O=C([O-])CCCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000568404290 435433136 /nfs/dbraw/zinc/43/31/36/435433136.db2.gz LXRAGAJOYHXLOQ-AWEZNQCLSA-N 0 2 315.772 3.107 20 0 DGADLN CCc1ccc(S(=O)(=O)Nc2noc(C(C)C)n2)cc1CC ZINC000538696377 435513032 /nfs/dbraw/zinc/51/30/32/435513032.db2.gz VOPJDIUQWMIHIM-UHFFFAOYSA-N 0 2 323.418 3.119 20 0 DGADLN Cc1c2ccccc2[nH+]c(N(C)C[C@H]2CCCOC2)c1C(=O)[O-] ZINC000569225957 435514445 /nfs/dbraw/zinc/51/44/45/435514445.db2.gz RLIPDFOVLSLRGB-CYBMUJFWSA-N 0 2 314.385 3.104 20 0 DGADLN Cc1oc(NS(=O)(=O)c2cccc3ccoc32)nc1C1CC1 ZINC000516147888 435515708 /nfs/dbraw/zinc/51/57/08/435515708.db2.gz MTWQDCMFGZLQHS-UHFFFAOYSA-N 0 2 318.354 3.407 20 0 DGADLN C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000516188241 435519533 /nfs/dbraw/zinc/51/95/33/435519533.db2.gz YQRNLJFRXSLFJE-MRVPVSSYSA-N 0 2 312.341 3.313 20 0 DGADLN C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000516188241 435519539 /nfs/dbraw/zinc/51/95/39/435519539.db2.gz 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ZINC000645258033 435604764 /nfs/dbraw/zinc/60/47/64/435604764.db2.gz VITBKNPDQFTJDG-RDDDGLTNSA-N 0 2 313.398 3.211 20 0 DGADLN Cc1cc(C)c(S(=O)(=O)Nc2ccnn2C(C)(C)C)s1 ZINC000649603148 435640915 /nfs/dbraw/zinc/64/09/15/435640915.db2.gz LZSOKUKOKCHOMG-UHFFFAOYSA-N 0 2 313.448 3.117 20 0 DGADLN Cc1cccnc1NC(=O)c1cccc(Br)c1O ZINC000518544271 435644601 /nfs/dbraw/zinc/64/46/01/435644601.db2.gz DOHWIDFKFYGTFE-UHFFFAOYSA-N 0 2 307.147 3.110 20 0 DGADLN Cc1n[nH]c(C(F)F)c1NS(=O)(=O)CCC1CCCCC1 ZINC000571732571 435730172 /nfs/dbraw/zinc/73/01/72/435730172.db2.gz MEQSCSKCCSKDAG-UHFFFAOYSA-N 0 2 321.393 3.368 20 0 DGADLN CC(C)COc1cccc(CSc2n[n-]c(=[NH2+])n2C2CC2)c1 ZINC000641442286 435742921 /nfs/dbraw/zinc/74/29/21/435742921.db2.gz WOWKBRJIIUHFMJ-UHFFFAOYSA-N 0 2 318.446 3.353 20 0 DGADLN Cc1oc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)nc1C1CC1 ZINC000571852144 435746581 /nfs/dbraw/zinc/74/65/81/435746581.db2.gz ZRRCKAMYBYAMBK-UHFFFAOYSA-N 0 2 324.377 3.417 20 0 DGADLN 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ZINC000652436427 435980986 /nfs/dbraw/zinc/98/09/86/435980986.db2.gz JCVNKWHIIZFSTM-OAHLLOKOSA-N 0 2 321.760 3.205 20 0 DGADLN C[N@H+](Cc1nc(C2CC2)cs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000652473664 435991078 /nfs/dbraw/zinc/99/10/78/435991078.db2.gz IAARXVBQMJZWID-OAHLLOKOSA-N 0 2 316.426 3.148 20 0 DGADLN C[N@@H+](Cc1nc(C2CC2)cs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000652473664 435991081 /nfs/dbraw/zinc/99/10/81/435991081.db2.gz IAARXVBQMJZWID-OAHLLOKOSA-N 0 2 316.426 3.148 20 0 DGADLN O=C([O-])C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)CC1CC1 ZINC000650510324 435940957 /nfs/dbraw/zinc/94/09/57/435940957.db2.gz WZADSFRXFCXQQO-UHFFFAOYSA-N 0 2 320.389 3.246 20 0 DGADLN O=C([O-])C[N@H+](Cc1csc(-c2ccc(F)cc2)n1)CC1CC1 ZINC000650510324 435940961 /nfs/dbraw/zinc/94/09/61/435940961.db2.gz WZADSFRXFCXQQO-UHFFFAOYSA-N 0 2 320.389 3.246 20 0 DGADLN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2Cl)C2(CCC2)CO1 ZINC000652510994 436000660 /nfs/dbraw/zinc/00/06/60/436000660.db2.gz NRHYHBHXBYSPRW-NSHDSACASA-N 0 2 309.793 3.182 20 0 DGADLN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C2(CCC2)CO1 ZINC000652510994 436000667 /nfs/dbraw/zinc/00/06/67/436000667.db2.gz NRHYHBHXBYSPRW-NSHDSACASA-N 0 2 309.793 3.182 20 0 DGADLN Cc1cccc2c(=O)c(C(=O)N3C[C@H](C4CC4)[C@H]3C3CC3)c[nH]c12 ZINC000665544578 436001675 /nfs/dbraw/zinc/00/16/75/436001675.db2.gz YPZRKLZGBGQNMO-SJLPKXTDSA-N 0 2 322.408 3.097 20 0 DGADLN C[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2Cl)C2(CCC2)CO1 ZINC000652510671 436002227 /nfs/dbraw/zinc/00/22/27/436002227.db2.gz HOQNKCTUFFUTOG-LLVKDONJSA-N 0 2 309.793 3.182 20 0 DGADLN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C2(CCC2)CO1 ZINC000652510671 436002230 /nfs/dbraw/zinc/00/22/30/436002230.db2.gz HOQNKCTUFFUTOG-LLVKDONJSA-N 0 2 309.793 3.182 20 0 DGADLN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C2(CCC2)CO1 ZINC000652511374 436002336 /nfs/dbraw/zinc/00/23/36/436002336.db2.gz VORUHARKHFFHQX-LLVKDONJSA-N 0 2 309.793 3.182 20 0 DGADLN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C2(CCC2)CO1 ZINC000652511374 436002338 /nfs/dbraw/zinc/00/23/38/436002338.db2.gz VORUHARKHFFHQX-LLVKDONJSA-N 0 2 309.793 3.182 20 0 DGADLN O=C([O-])c1ccc[nH+]c1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000647452174 436052380 /nfs/dbraw/zinc/05/23/80/436052380.db2.gz SLZHZSXMHPYNCZ-LLVKDONJSA-N 0 2 318.760 3.091 20 0 DGADLN CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2ncccc2C)c1 ZINC000656726873 436019043 /nfs/dbraw/zinc/01/90/43/436019043.db2.gz IMCNWEOHXDSTEP-CYBMUJFWSA-N 0 2 320.414 3.368 20 0 DGADLN CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2cc(C)ccn2)c1 ZINC000656728140 436019436 /nfs/dbraw/zinc/01/94/36/436019436.db2.gz KTWRQISEZZAVHV-CYBMUJFWSA-N 0 2 320.414 3.368 20 0 DGADLN Cc1sc(NS(=O)(=O)c2ccc(C)nc2)nc1C(C)C ZINC000656740363 436020684 /nfs/dbraw/zinc/02/06/84/436020684.db2.gz OZSFSIPWNSFPKN-UHFFFAOYSA-N 0 2 311.432 3.079 20 0 DGADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(F)ccn2)cc1 ZINC000656738288 436020694 /nfs/dbraw/zinc/02/06/94/436020694.db2.gz CLTVGEFOSYDDQI-UHFFFAOYSA-N 0 2 308.378 3.319 20 0 DGADLN COc1cccc(C=C2CCN(c3cc[nH+]c(C(=O)[O-])c3)CC2)c1 ZINC000650767266 436023982 /nfs/dbraw/zinc/02/39/82/436023982.db2.gz OEVSMHMIQVTESE-UHFFFAOYSA-N 0 2 324.380 3.472 20 0 DGADLN Cc1ccccc1[C@H]1CN(c2cc[nH+]c(C(=O)[O-])c2)[C@H](C)CO1 ZINC000650767218 436024296 /nfs/dbraw/zinc/02/42/96/436024296.db2.gz MKNFQWYNOBXMGQ-CXAGYDPISA-N 0 2 312.369 3.055 20 0 DGADLN O=C([O-])c1cc(N(Cc2cccs2)C[C@@H]2CCCO2)cc[nH+]1 ZINC000650766873 436024741 /nfs/dbraw/zinc/02/47/41/436024741.db2.gz ACHWRTMFDVGHKK-ZDUSSCGKSA-N 0 2 318.398 3.027 20 0 DGADLN O=C([O-])c1cc(N2CCC(OC3CCCCC3)CC2)cc[nH+]1 ZINC000650771852 436026849 /nfs/dbraw/zinc/02/68/49/436026849.db2.gz IHYXJXBSFCSFGI-UHFFFAOYSA-N 0 2 304.390 3.098 20 0 DGADLN O=C([O-])c1cc(N2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc[nH+]1 ZINC000650771364 436027078 /nfs/dbraw/zinc/02/70/78/436027078.db2.gz VDDSUKOTNJUKFX-CQSZACIVSA-N 0 2 318.760 3.091 20 0 DGADLN O=C([O-])c1ccc[nH+]c1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000647447520 436052838 /nfs/dbraw/zinc/05/28/38/436052838.db2.gz KCWPRCFROSBPJI-AWEZNQCLSA-N 0 2 318.760 3.011 20 0 DGADLN O=C([O-])c1ccc[nH+]c1N1CC[C@H](CSc2ccccc2)C1 ZINC000647446730 436050367 /nfs/dbraw/zinc/05/03/67/436050367.db2.gz MABXEMSDPOZBTO-ZDUSSCGKSA-N 0 2 314.410 3.398 20 0 DGADLN COc1ccc(C)cc1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC000647275378 435996967 /nfs/dbraw/zinc/99/69/67/435996967.db2.gz YBZSBAXPYHKHHQ-UHFFFAOYSA-N 0 2 324.402 3.090 20 0 DGADLN O=C([O-])c1ccc(N2CC[C@H](Oc3ccc(Cl)cc3)C2)[nH+]c1 ZINC000647455546 436054663 /nfs/dbraw/zinc/05/46/63/436054663.db2.gz CGMHEMPTOGAGBJ-AWEZNQCLSA-N 0 2 318.760 3.091 20 0 DGADLN CC[C@@]1(CNc2ccc(C(=O)[O-])c[nH+]2)OCCc2ccccc21 ZINC000647455166 436055473 /nfs/dbraw/zinc/05/54/73/436055473.db2.gz PMAXERPUGUDGNW-SFHVURJKSA-N 0 2 312.369 3.070 20 0 DGADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@H](c2ccccn2)C1 ZINC000647819225 436130432 /nfs/dbraw/zinc/13/04/32/436130432.db2.gz QMPAXGCAKDCZNJ-NSHDSACASA-N 0 2 318.323 3.085 20 0 DGADLN FC(F)(F)COc1ccc(=NCc2cccc(Cl)c2)[nH]n1 ZINC000647844987 436132504 /nfs/dbraw/zinc/13/25/04/436132504.db2.gz 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SCHYJTPKOOSAKP-HNNXBMFYSA-N 0 2 307.365 3.113 20 0 DGADLN C[C@]1(CCNC(=O)c2c(O)cc(F)cc2F)C[C@]1(F)Cl ZINC000846413425 631242874 /nfs/dbraw/zinc/24/28/74/631242874.db2.gz TZEDYTBCZIECJK-QWHCGFSZSA-N 0 2 307.699 3.105 20 0 DGADLN O=C(c1cccc(Cl)c1O)N1CC[C@@H](c2ccncc2)C1 ZINC000848101687 631612336 /nfs/dbraw/zinc/61/23/36/631612336.db2.gz PEOQVOGMNQLCNM-GFCCVEGCSA-N 0 2 302.761 3.070 20 0 DGADLN O=C(NC[C@H]1CCC2(CCCC2)O1)c1cccc(Cl)c1O ZINC000848356853 631649995 /nfs/dbraw/zinc/64/99/95/631649995.db2.gz GAGOBIMKPUQDRM-LLVKDONJSA-N 0 2 309.793 3.267 20 0 DGADLN C/C(=C/C[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1)C(=O)[O-] ZINC000849344928 631897096 /nfs/dbraw/zinc/89/70/96/631897096.db2.gz SNCYSHWGKFNQQS-WTKPLQERSA-N 0 2 300.185 3.382 20 0 DGADLN C/C(=C/C[N@H+]1CCc2ccc(Cl)c(Cl)c2C1)C(=O)[O-] ZINC000849344928 631897101 /nfs/dbraw/zinc/89/71/01/631897101.db2.gz SNCYSHWGKFNQQS-WTKPLQERSA-N 0 2 300.185 3.382 20 0 DGADLN CCCCC[C@H](C)[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000186420653 660397868 /nfs/dbraw/zinc/39/78/68/660397868.db2.gz ZYLZFOMPAABLGG-AWEZNQCLSA-N 0 2 302.422 3.442 20 0 DGADLN Cc1cccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000195109960 662178241 /nfs/dbraw/zinc/17/82/41/662178241.db2.gz AWBGSWHEJWXFDU-UHFFFAOYSA-N 0 2 317.197 3.498 20 0 DGADLN CSCCONC(=O)CSc1ccc2ccccc2c1 ZINC000794194651 661071391 /nfs/dbraw/zinc/07/13/91/661071391.db2.gz UQRLZWWYTVNQOF-UHFFFAOYSA-N 0 2 307.440 3.343 20 0 DGADLN Cc1ccccc1C1(C(=O)NOCCOC(C)C)CCCC1 ZINC000795063332 661125088 /nfs/dbraw/zinc/12/50/88/661125088.db2.gz AIBMAVZZIAXVFC-UHFFFAOYSA-N 0 2 305.418 3.280 20 0 DGADLN CCOC(=O)NNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000039527204 655853107 /nfs/dbraw/zinc/85/31/07/655853107.db2.gz IBRRGWPVNGUVIG-UHFFFAOYSA-N 0 2 316.741 3.085 20 0 DGADLN N#C[C@@H](C(=O)Cc1c(F)cccc1F)c1cnc2ccccc2n1 ZINC000190991471 655883640 /nfs/dbraw/zinc/88/36/40/655883640.db2.gz FZSNVGRROXFJQB-GFCCVEGCSA-N 0 2 323.302 3.327 20 0 DGADLN O=S(=O)(Nc1cccc(Cl)n1)c1ccc(Cl)cc1 ZINC000162268285 655933441 /nfs/dbraw/zinc/93/34/41/655933441.db2.gz LUQVHJVKSVDQOB-UHFFFAOYSA-N 0 2 303.170 3.189 20 0 DGADLN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)C(F)(F)F ZINC000171297945 659272724 /nfs/dbraw/zinc/27/27/24/659272724.db2.gz DLPMKOIXGOKIPV-UHFFFAOYSA-N 0 2 314.238 3.192 20 0 DGADLN Cc1ncc(NS(=O)(=O)c2cccc3ccccc32)s1 ZINC000443458330 659660868 /nfs/dbraw/zinc/66/08/68/659660868.db2.gz ZZBDNYWWQYKYGV-UHFFFAOYSA-N 0 2 304.396 3.406 20 0 DGADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)C[C@@H]1CC=CCC1 ZINC000935795168 661811358 /nfs/dbraw/zinc/81/13/58/661811358.db2.gz VXFJOHSWJPDHMC-GFCCVEGCSA-N 0 2 312.373 3.171 20 0 DGADLN CC(C)c1csc(C(C#N)C(=O)c2ccn(CC(F)F)n2)n1 ZINC000192845094 662112573 /nfs/dbraw/zinc/11/25/73/662112573.db2.gz FUSIBDWENHRJCW-VIFPVBQESA-N 0 2 324.356 3.218 20 0 DGADLN Cc1nc(Cl)ccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000193500263 662136604 /nfs/dbraw/zinc/13/66/04/662136604.db2.gz UYESULFHSOFLNC-UHFFFAOYSA-N 0 2 318.732 3.122 20 0 DGADLN Cc1cc(NS(=O)(=O)c2ccc(F)cc2F)cnc1Cl ZINC000085235577 662206761 /nfs/dbraw/zinc/20/67/61/662206761.db2.gz FASKNFSDDRQXSH-UHFFFAOYSA-N 0 2 318.732 3.122 20 0 DGADLN CCCCSCC(=O)Nc1nccc(Br)c1O ZINC001586415057 1192329611 /nfs/dbraw/zinc/32/96/11/1192329611.db2.gz PACWDVGWOFJAEP-UHFFFAOYSA-N 0 2 319.224 3.022 20 0 DGADLN CC1(c2nccc(NC(=O)c3cccc(Cl)c3O)n2)CC1 ZINC001586752592 1192348067 /nfs/dbraw/zinc/34/80/67/1192348067.db2.gz LPQSFSAJVDRDQB-UHFFFAOYSA-N 0 2 303.749 3.139 20 0 DGADLN O=C(Nn1cnc2ccccc21)c1cccc(C(F)(F)F)c1O ZINC001587972561 1192427595 /nfs/dbraw/zinc/42/75/95/1192427595.db2.gz FSXGEECGFUBTQV-UHFFFAOYSA-N 0 2 321.258 3.145 20 0 DGADLN O=C(NOc1ccccc1F)C1(Cc2ccc(F)cc2)CC1 ZINC001594747685 1192648294 /nfs/dbraw/zinc/64/82/94/1192648294.db2.gz ZGLFWUGIGULBMA-UHFFFAOYSA-N 0 2 303.308 3.398 20 0 DGADLN Cc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2O)n[nH]1 ZINC001597898488 1192753683 /nfs/dbraw/zinc/75/36/83/1192753683.db2.gz CPAVNJQUPJSFKY-AWEZNQCLSA-N 0 2 321.327 3.069 20 0 DGADLN Cc1ccc(CNC(=O)c2cccc(Cl)c2O)c(Cl)n1 ZINC001598365347 1192772253 /nfs/dbraw/zinc/77/22/53/1192772253.db2.gz BTXGYQPSHFNBOC-UHFFFAOYSA-N 0 2 311.168 3.332 20 0 DGADLN Cc1c(C(=O)[O-])ccc(Cl)c1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001599998266 1192781861 /nfs/dbraw/zinc/78/18/61/1192781861.db2.gz NWBBVCVGNOUAJI-SECBINFHSA-N 0 2 321.764 3.133 20 0 DGADLN Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc1-n1cc[nH+]c1 ZINC001600254526 1192818904 /nfs/dbraw/zinc/81/89/04/1192818904.db2.gz GDNOMHLJRHLJST-UHFFFAOYSA-N 0 2 315.373 3.010 20 0 DGADLN Cc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)c(Cl)n1 ZINC001600418642 1192849336 /nfs/dbraw/zinc/84/93/36/1192849336.db2.gz CQPUDUMIFOAKRQ-QMMMGPOBSA-N 0 2 311.794 3.049 20 0 DGADLN Cc1ccc(CSCCNc2ccc(C(=O)[O-])c[nH+]2)cc1 ZINC001600422743 1192850925 /nfs/dbraw/zinc/85/09/25/1192850925.db2.gz WXEQBBMUXZTAJX-UHFFFAOYSA-N 0 2 302.399 3.434 20 0 DGADLN Cc1ccc(N2CCS[C@H](c3ccccc3)C2)[nH+]c1C(=O)[O-] ZINC001600438484 1192854080 /nfs/dbraw/zinc/85/40/80/1192854080.db2.gz QQSPRJGVPFEHML-AWEZNQCLSA-N 0 2 314.410 3.383 20 0 DGADLN Cc1ccc(NC[C@@H](O)c2c(F)cccc2Cl)[nH+]c1C(=O)[O-] ZINC001600459344 1192857263 /nfs/dbraw/zinc/85/72/63/1192857263.db2.gz NLHFGAXWLRWSGG-LLVKDONJSA-N 0 2 324.739 3.026 20 0 DGADLN CC(C)(C)N1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC001331097145 1178134203 /nfs/dbraw/zinc/13/42/03/1178134203.db2.gz FTQYSLVKYFEKPQ-ZWKOTPCHSA-N 0 2 302.462 3.323 20 0 DGADLN Cc1ccccc1[C@@]1(F)CCN(c2cc(CC(=O)[O-])cc[nH+]2)C1 ZINC001600575587 1192878009 /nfs/dbraw/zinc/87/80/09/1192878009.db2.gz MFVKYNLTVVCVNU-GOSISDBHSA-N 0 2 314.360 3.092 20 0 DGADLN Cc1c(Cl)cccc1S(=O)(=O)Nc1c[nH]nc1C(C)C ZINC001332278902 1178410415 /nfs/dbraw/zinc/41/04/15/1178410415.db2.gz SFCUFCYMMQCDON-UHFFFAOYSA-N 0 2 313.810 3.296 20 0 DGADLN Cc1ccc(-c2nc(C[NH2+][C@@H](CCF)C(=O)[O-])cs2)cc1 ZINC001332839944 1178505234 /nfs/dbraw/zinc/50/52/34/1178505234.db2.gz FWKWWLZPYLAVDM-ZDUSSCGKSA-N 0 2 308.378 3.021 20 0 DGADLN Cc1nc(N(CC(C)C)CC(C)(C)C(=O)[O-])c2c([nH+]1)CCCC2 ZINC001600724051 1192895815 /nfs/dbraw/zinc/89/58/15/1192895815.db2.gz ZUTHSJOZCACXMD-UHFFFAOYSA-N 0 2 319.449 3.237 20 0 DGADLN Cc1nc2c(s1)[C@H](Nc1ccc(C)c(C(=O)[O-])[nH+]1)CCC2 ZINC001600723311 1192895950 /nfs/dbraw/zinc/89/59/50/1192895950.db2.gz PONCXSRAPAWGIP-LLVKDONJSA-N 0 2 303.387 3.343 20 0 DGADLN O=C([O-])/C=C\c1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)o1 ZINC001601877331 1192949166 /nfs/dbraw/zinc/94/91/66/1192949166.db2.gz MXIWXJXUHUHSBM-VURMDHGXSA-N 0 2 323.308 3.020 20 0 DGADLN O=C([O-])CC1(CNc2nc3ccccc3n3c[nH+]cc23)CCCC1 ZINC001601919710 1192951452 /nfs/dbraw/zinc/95/14/52/1192951452.db2.gz BTETXCMDOBLVPG-UHFFFAOYSA-N 0 2 324.384 3.330 20 0 DGADLN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1c(Cl)ccnc1F ZINC001602007381 1192955648 /nfs/dbraw/zinc/95/56/48/1192955648.db2.gz GNBJVMQXGFUGFO-UHFFFAOYSA-N 0 2 322.767 3.351 20 0 DGADLN O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1c(Cl)ccnc1F ZINC001602007381 1192955651 /nfs/dbraw/zinc/95/56/51/1192955651.db2.gz GNBJVMQXGFUGFO-UHFFFAOYSA-N 0 2 322.767 3.351 20 0 DGADLN O=C([O-])C[N@H+](Cc1ccoc1)Cc1ccc(C(F)(F)F)cc1 ZINC001602058586 1192957538 /nfs/dbraw/zinc/95/75/38/1192957538.db2.gz SVMYYMBKEOPEKT-UHFFFAOYSA-N 0 2 313.275 3.385 20 0 DGADLN O=C([O-])C[N@@H+](Cc1ccoc1)Cc1ccc(C(F)(F)F)cc1 ZINC001602058586 1192957540 /nfs/dbraw/zinc/95/75/40/1192957540.db2.gz SVMYYMBKEOPEKT-UHFFFAOYSA-N 0 2 313.275 3.385 20 0 DGADLN O=C([O-])c1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2F)on1 ZINC001602259814 1192965601 /nfs/dbraw/zinc/96/56/01/1192965601.db2.gz BBDKUYJTXXJKFI-UHFFFAOYSA-N 0 2 319.119 3.109 20 0 DGADLN O=C([O-])c1ccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)nc1 ZINC001602337745 1192971230 /nfs/dbraw/zinc/97/12/30/1192971230.db2.gz IMNUWQFQTALCST-HNNXBMFYSA-N 0 2 302.761 3.380 20 0 DGADLN O=C([O-])c1ccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)nc1 ZINC001602337745 1192971233 /nfs/dbraw/zinc/97/12/33/1192971233.db2.gz IMNUWQFQTALCST-HNNXBMFYSA-N 0 2 302.761 3.380 20 0 DGADLN O=C([O-])c1ccc2c(c1)CC[N@@H+](Cc1ccc(F)cc1F)C2 ZINC001602417863 1192977818 /nfs/dbraw/zinc/97/78/18/1192977818.db2.gz BUJYEKYJDDDWJX-UHFFFAOYSA-N 0 2 303.308 3.221 20 0 DGADLN O=C([O-])c1ccc2c(c1)CC[N@H+](Cc1ccc(F)cc1F)C2 ZINC001602417863 1192977819 /nfs/dbraw/zinc/97/78/19/1192977819.db2.gz BUJYEKYJDDDWJX-UHFFFAOYSA-N 0 2 303.308 3.221 20 0 DGADLN O=C([O-])c1ccccc1-c1ccc(CNc2cc(CO)cc[nH+]2)o1 ZINC001602462715 1192982243 /nfs/dbraw/zinc/98/22/43/1192982243.db2.gz BQVQTZMUPUYOKA-UHFFFAOYSA-N 0 2 324.336 3.144 20 0 DGADLN Cc1nc(NC(=O)c2cccc(Cl)c2O)nc2c1CCCC2 ZINC001349234638 1179883984 /nfs/dbraw/zinc/88/39/84/1179883984.db2.gz OZQRAAHMRXOOEB-UHFFFAOYSA-N 0 2 317.776 3.275 20 0 DGADLN CC(=Cc1ccc(Cl)cc1)C(=O)N[C@H](C)c1nn(C)cc1O ZINC001603109253 1193007607 /nfs/dbraw/zinc/00/76/07/1193007607.db2.gz CUAOIRJVEBDHOA-HIJJYWJESA-N 0 2 319.792 3.060 20 0 DGADLN C[C@@H](C(=O)[O-])[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CCC1 ZINC001603199279 1193010537 /nfs/dbraw/zinc/01/05/37/1193010537.db2.gz XNGGHBLLTDFGRF-NSHDSACASA-N 0 2 318.348 3.308 20 0 DGADLN C[C@@H](C(=O)[O-])[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CCC1 ZINC001603199279 1193010540 /nfs/dbraw/zinc/01/05/40/1193010540.db2.gz XNGGHBLLTDFGRF-NSHDSACASA-N 0 2 318.348 3.308 20 0 DGADLN CC(C)(C)OC1CC(CCNc2cc(CC(=O)[O-])cc[nH+]2)C1 ZINC001603507592 1193018720 /nfs/dbraw/zinc/01/87/20/1193018720.db2.gz VLBGWBWZAWTPMQ-UHFFFAOYSA-N 0 2 306.406 3.104 20 0 DGADLN CC[C@]1(C(=O)[O-])CCCN(c2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC001603609587 1193023024 /nfs/dbraw/zinc/02/30/24/1193023024.db2.gz NKLGSXFNKBVIED-KRWDZBQOSA-N 0 2 303.406 3.134 20 0 DGADLN CC(C)Oc1ccc[nH+]c1NCc1ccc(C(=O)[O-])c(F)c1 ZINC001603957353 1193040473 /nfs/dbraw/zinc/04/04/73/1193040473.db2.gz NYLJEVPMHJYMRW-UHFFFAOYSA-N 0 2 304.321 3.318 20 0 DGADLN Cc1cc(NS(=O)(=O)c2cccc(C)c2F)n(C(C)C)n1 ZINC001200676943 1180808672 /nfs/dbraw/zinc/80/86/72/1180808672.db2.gz ZWHKTZHFIIAUQW-UHFFFAOYSA-N 0 2 311.382 3.021 20 0 DGADLN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC3)c1F ZINC001200782568 1180903855 /nfs/dbraw/zinc/90/38/55/1180903855.db2.gz MWKIMQUQILWATA-UHFFFAOYSA-N 0 2 319.357 3.064 20 0 DGADLN 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ZINC000832881238 629527629 /nfs/dbraw/zinc/52/76/29/629527629.db2.gz MTAFCGLXPUEUFS-HNNXBMFYSA-N 0 2 304.321 3.157 20 0 DGADLN Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])c(F)c2)no1 ZINC000832881238 629527633 /nfs/dbraw/zinc/52/76/33/629527633.db2.gz MTAFCGLXPUEUFS-HNNXBMFYSA-N 0 2 304.321 3.157 20 0 DGADLN Cc1ccc(-c2cnc(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)o2)cc1 ZINC000832907364 629531404 /nfs/dbraw/zinc/53/14/04/629531404.db2.gz SUPDOZHVPYFNBC-OAHLLOKOSA-N 0 2 302.374 3.239 20 0 DGADLN Cc1nc(C2([NH2+]Cc3ccc(C(=O)[O-])s3)CCCCC2)no1 ZINC000832995779 629546885 /nfs/dbraw/zinc/54/68/85/629546885.db2.gz JYEZJTLRKRIGSO-UHFFFAOYSA-N 0 2 321.402 3.087 20 0 DGADLN NC(=[NH+]OCc1ccc(F)cc1Cl)c1cccc(C(=O)[O-])c1 ZINC000833078563 629556226 /nfs/dbraw/zinc/55/62/26/629556226.db2.gz PYROKNVTIXHDAS-UHFFFAOYSA-N 0 2 322.723 3.224 20 0 DGADLN C[C@@](Cc1ccccc1)(NC(=O)C(F)C(F)(F)F)C1CC1 ZINC000837164273 630220108 /nfs/dbraw/zinc/22/01/08/630220108.db2.gz GQDZIZJJWQDQFY-JSGCOSHPSA-N 0 2 303.299 3.414 20 0 DGADLN C[C@@](Cc1ccccc1)(NC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC000837164273 630220116 /nfs/dbraw/zinc/22/01/16/630220116.db2.gz GQDZIZJJWQDQFY-JSGCOSHPSA-N 0 2 303.299 3.414 20 0 DGADLN CCOc1ccc(C[C@@H](C)CNC(=O)C(F)C(F)(F)F)cc1 ZINC000837223723 630229701 /nfs/dbraw/zinc/22/97/01/630229701.db2.gz LOHMFTPEDPYQLV-MFKMUULPSA-N 0 2 321.314 3.281 20 0 DGADLN CCOc1ccc(C[C@@H](C)CNC(=O)[C@H](F)C(F)(F)F)cc1 ZINC000837223723 630229703 /nfs/dbraw/zinc/22/97/03/630229703.db2.gz LOHMFTPEDPYQLV-MFKMUULPSA-N 0 2 321.314 3.281 20 0 DGADLN O=C(c1cccc(Cl)c1O)N1CCSC[C@H]1C1CCC1 ZINC000841464640 630439575 /nfs/dbraw/zinc/43/95/75/630439575.db2.gz PAKNBNRBNIUPFR-ZDUSSCGKSA-N 0 2 311.834 3.403 20 0 DGADLN O=C(c1cccc(Cl)c1O)N1CCC[C@]2(CC2(F)F)C1 ZINC000846579845 631266317 /nfs/dbraw/zinc/26/63/17/631266317.db2.gz XNVZMTCPVDGNDU-ZDUSSCGKSA-N 0 2 301.720 3.307 20 0 DGADLN C/C(=C/C[N@@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C)C(=O)[O-] ZINC000849346040 631898510 /nfs/dbraw/zinc/89/85/10/631898510.db2.gz OJUFZSTVQZJVHB-WASHYIJTSA-N 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CPBDQOYUIVHAHD-UHFFFAOYSA-N 0 2 317.772 3.302 20 0 DGADLN C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1c(F)cccc1Br ZINC000394726483 951457173 /nfs/dbraw/zinc/45/71/73/951457173.db2.gz OIWNBQWVVGPNMM-ZDUSSCGKSA-N 0 2 316.170 3.027 20 0 DGADLN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1c(F)cccc1Br ZINC000394726483 951457176 /nfs/dbraw/zinc/45/71/76/951457176.db2.gz OIWNBQWVVGPNMM-ZDUSSCGKSA-N 0 2 316.170 3.027 20 0 DGADLN O=C([O-])Cc1cccc(Nc2nc3ccccc3n3c[nH+]cc23)c1 ZINC001595138007 952066003 /nfs/dbraw/zinc/06/60/03/952066003.db2.gz BCJKYRFJXQOEAF-UHFFFAOYSA-N 0 2 318.336 3.253 20 0 DGADLN CC(C)Oc1cccc([C@@H]([NH2+][C@@H](C)CC(=O)[O-])C(F)F)c1 ZINC001589005060 955361877 /nfs/dbraw/zinc/36/18/77/955361877.db2.gz ZCPFRJPBIHPTLS-IINYFYTJSA-N 0 2 301.333 3.233 20 0 DGADLN CN(Cc1ccc(Br)cc1)c1ccc(C(=O)[O-])c[nH+]1 ZINC000048890863 957468631 /nfs/dbraw/zinc/46/86/31/957468631.db2.gz QGYKHUPBZCMISV-UHFFFAOYSA-N 0 2 321.174 3.179 20 0 DGADLN O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC000080992093 957772807 /nfs/dbraw/zinc/77/28/07/957772807.db2.gz VYPQDJDRZFYXBI-LBPRGKRZSA-N 0 2 306.387 3.232 20 0 DGADLN O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1csc(-c2ccco2)n1 ZINC000080992093 957772815 /nfs/dbraw/zinc/77/28/15/957772815.db2.gz VYPQDJDRZFYXBI-LBPRGKRZSA-N 0 2 306.387 3.232 20 0 DGADLN Cc1nc(N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c2c([nH+]1)CCCC2 ZINC001594463783 959484487 /nfs/dbraw/zinc/48/44/87/959484487.db2.gz KRCRGFGBLRMFCN-LEWSCRJBSA-N 0 2 317.433 3.211 20 0 DGADLN C[N@H+](Cc1ccco1)Cc1ccc(C(=O)[O-])cc1Br ZINC000226719753 959895708 /nfs/dbraw/zinc/89/57/08/959895708.db2.gz SAQYSRZQLXFKSG-UHFFFAOYSA-N 0 2 324.174 3.372 20 0 DGADLN C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)[O-])cc1Br ZINC000226719753 959895716 /nfs/dbraw/zinc/89/57/16/959895716.db2.gz SAQYSRZQLXFKSG-UHFFFAOYSA-N 0 2 324.174 3.372 20 0 DGADLN COc1cccc(Cl)c1C[NH2+]Cc1cc(C)c(C(=O)[O-])o1 ZINC000234916502 960376923 /nfs/dbraw/zinc/37/69/23/960376923.db2.gz LNFNEFLBIZFXDE-UHFFFAOYSA-N 0 2 309.749 3.238 20 0 DGADLN Cc1cnc([C@@H]([NH2+]Cc2ccc(/C=C/C(=O)[O-])o2)C2CC2)s1 ZINC001334800440 961834969 /nfs/dbraw/zinc/83/49/69/961834969.db2.gz SITGEMUEWTWBLD-LFAOLKIESA-N 0 2 318.398 3.383 20 0 DGADLN O=C([O-])C[N@@H+](Cc1nc(C2CCCCC2)cs1)CC1CC1 ZINC001574716492 962725651 /nfs/dbraw/zinc/72/56/51/962725651.db2.gz QUTDNQDLGRFURX-UHFFFAOYSA-N 0 2 308.447 3.487 20 0 DGADLN O=C([O-])C[N@H+](Cc1nc(C2CCCCC2)cs1)CC1CC1 ZINC001574716492 962725654 /nfs/dbraw/zinc/72/56/54/962725654.db2.gz QUTDNQDLGRFURX-UHFFFAOYSA-N 0 2 308.447 3.487 20 0 DGADLN Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001605237571 972991957 /nfs/dbraw/zinc/99/19/57/972991957.db2.gz DIERFUMNRPGXCP-ZDUSSCGKSA-N 0 2 315.373 3.071 20 0 DGADLN CC(C)c1ccc(-c2noc(C[NH2+][C@@H](C(=O)[O-])C(C)C)n2)cc1 ZINC001591943725 976483597 /nfs/dbraw/zinc/48/35/97/976483597.db2.gz QUWOMSKSGLHQST-OAHLLOKOSA-N 0 2 317.389 3.059 20 0 DGADLN CC1(C(=O)[O-])C[NH+](Cc2cccc(Cl)c2Br)C1 ZINC000719439547 978004164 /nfs/dbraw/zinc/00/41/64/978004164.db2.gz OIDZEGJAWFGUER-UHFFFAOYSA-N 0 2 318.598 3.009 20 0 DGADLN CC[C@@H](OCCNc1ccc(C(=O)[O-])c[nH+]1)c1ccccc1 ZINC001595356242 980709937 /nfs/dbraw/zinc/70/99/37/980709937.db2.gz FCXOUIOPGLPEAF-OAHLLOKOSA-N 0 2 300.358 3.360 20 0 DGADLN CCCOc1cccc(CCNc2cc(CC(=O)[O-])cc[nH+]2)c1 ZINC001595969810 983192570 /nfs/dbraw/zinc/19/25/70/983192570.db2.gz SMVNYFSCMUMZNY-UHFFFAOYSA-N 0 2 314.385 3.152 20 0 DGADLN C[C@H]1[C@H](c2cccc(F)c2)OCC[N@@H+]1Cc1occc1C(=O)[O-] ZINC001599936979 985407783 /nfs/dbraw/zinc/40/77/83/985407783.db2.gz JYPMFVPXROYCAH-MEDUHNTESA-N 0 2 319.332 3.079 20 0 DGADLN C[C@H]1[C@H](c2cccc(F)c2)OCC[N@H+]1Cc1occc1C(=O)[O-] ZINC001599936979 985407787 /nfs/dbraw/zinc/40/77/87/985407787.db2.gz JYPMFVPXROYCAH-MEDUHNTESA-N 0 2 319.332 3.079 20 0 DGADLN C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594666722 986967868 /nfs/dbraw/zinc/96/78/68/986967868.db2.gz ZFEAKARTCGKULO-SNVBAGLBSA-N 0 2 320.339 3.121 20 0 DGADLN C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594666722 986967874 /nfs/dbraw/zinc/96/78/74/986967874.db2.gz ZFEAKARTCGKULO-SNVBAGLBSA-N 0 2 320.339 3.121 20 0 DGADLN CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001597916211 989831265 /nfs/dbraw/zinc/83/12/65/989831265.db2.gz HUURHMYSQSEEHO-AWEZNQCLSA-N 0 2 319.430 3.390 20 0 DGADLN CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001597916211 989831279 /nfs/dbraw/zinc/83/12/79/989831279.db2.gz HUURHMYSQSEEHO-AWEZNQCLSA-N 0 2 319.430 3.390 20 0 DGADLN CC(C)[C@H]([NH2+]Cc1ccsc1C(=O)[O-])c1nc(C2CC2)no1 ZINC001591030614 991334008 /nfs/dbraw/zinc/33/40/08/991334008.db2.gz MRJFWVCMAWAOPO-NSHDSACASA-N 0 2 321.402 3.194 20 0 DGADLN CC(C)C[C@@H]([NH2+][C@H](c1nccs1)c1ccccc1)C(=O)[O-] ZINC001591183715 991984122 /nfs/dbraw/zinc/98/41/22/991984122.db2.gz LVGKAPKIHGJORB-KGLIPLIRSA-N 0 2 304.415 3.321 20 0 DGADLN C[C@H]([NH2+][C@H](C(=O)[O-])c1cccc2ccccc21)c1cnccn1 ZINC001593194660 994139489 /nfs/dbraw/zinc/13/94/89/994139489.db2.gz LEATXBXAGJCDME-SJCJKPOMSA-N 0 2 307.353 3.106 20 0 DGADLN C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cc(C(=O)[O-])co1 ZINC001593304961 994756355 /nfs/dbraw/zinc/75/63/55/994756355.db2.gz SJIASNVRUXWHPM-GFCCVEGCSA-N 0 2 311.341 3.014 20 0 DGADLN C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cc(C(=O)[O-])co1 ZINC001593311248 994780020 /nfs/dbraw/zinc/78/00/20/994780020.db2.gz DKJNYMYWTIOYMN-SECBINFHSA-N 0 2 306.387 3.164 20 0 DGADLN C[C@]1(C2CC2)COCC[N@@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC001593991903 997260513 /nfs/dbraw/zinc/26/05/13/997260513.db2.gz VDQCFRFGOIARAT-MRXNPFEDSA-N 0 2 309.793 3.039 20 0 DGADLN C[C@]1(C2CC2)COCC[N@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC001593991903 997260523 /nfs/dbraw/zinc/26/05/23/997260523.db2.gz VDQCFRFGOIARAT-MRXNPFEDSA-N 0 2 309.793 3.039 20 0 DGADLN CC1(CC(F)(F)F)C[NH+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001593998657 997331944 /nfs/dbraw/zinc/33/19/44/997331944.db2.gz XGQUAMKWZSYIEA-SNAWJCMRSA-N 0 2 303.280 3.152 20 0 DGADLN COCC[C@@H]([NH2+][C@H](C(=O)[O-])c1ccsc1)c1ccc(C)o1 ZINC001599218951 997631921 /nfs/dbraw/zinc/63/19/21/997631921.db2.gz VDWOGHHKCAESMN-OCCSQVGLSA-N 0 2 309.387 3.143 20 0 DGADLN COc1ccc(C[C@@H](C)CN(C)c2ccc(C(=O)[O-])c[nH+]2)cc1 ZINC001599549726 997984766 /nfs/dbraw/zinc/98/47/66/997984766.db2.gz AJVFJZHGXICJOX-CYBMUJFWSA-N 0 2 314.385 3.103 20 0 DGADLN CO[C@H](CNc1cc(CC(=O)[O-])cc[nH+]1)c1cccc(Cl)c1 ZINC001599054899 999222607 /nfs/dbraw/zinc/22/26/07/999222607.db2.gz CZQOMHNKOMEFDK-CQSZACIVSA-N 0 2 320.776 3.162 20 0 DGADLN C[C@H]1CC[N@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C[C@@H]1F ZINC001594423388 999580017 /nfs/dbraw/zinc/58/00/17/999580017.db2.gz VSTUSPDCNWGGKK-GWCFXTLKSA-N 0 2 315.772 3.097 20 0 DGADLN C[C@H]1CC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C[C@@H]1F ZINC001594423388 999580020 /nfs/dbraw/zinc/58/00/20/999580020.db2.gz VSTUSPDCNWGGKK-GWCFXTLKSA-N 0 2 315.772 3.097 20 0 DGADLN O=C(Nc1c(F)ccnc1F)c1cc(-c2ccc(F)cc2)no1 ZINC001129367474 1081720800 /nfs/dbraw/zinc/72/08/00/1081720800.db2.gz RRNVXJJLENNZJZ-UHFFFAOYSA-N 0 2 319.242 3.406 20 0 DGADLN Cc1ccc([C@@H]2C[C@H]2NC(=O)c2c(O)cc(F)cc2F)cc1 ZINC001648859591 1081949341 /nfs/dbraw/zinc/94/93/41/1081949341.db2.gz HOQFFJDGKLYTAD-GXTWGEPZSA-N 0 2 303.308 3.265 20 0 DGADLN Cc1cc(C)c(Nc2c[nH+]cc(C)c2C)c(S(=O)(=O)[O-])c1 ZINC001213532929 1082147486 /nfs/dbraw/zinc/14/74/86/1082147486.db2.gz WUXRKPVWPLNGSN-UHFFFAOYSA-N 0 2 306.387 3.306 20 0 DGADLN Cn1cc(NC(=O)c2cccc(Cl)c2O)c(-c2ccco2)n1 ZINC001131177934 1082652242 /nfs/dbraw/zinc/65/22/42/1082652242.db2.gz USOIDSYKKZSXQY-UHFFFAOYSA-N 0 2 317.732 3.291 20 0 DGADLN COCc1cc(NC(=O)c2cccc(Cl)c2O)ccc1OC ZINC001132829495 1083006150 /nfs/dbraw/zinc/00/61/50/1083006150.db2.gz YWWFUXGODDNINT-UHFFFAOYSA-N 0 2 321.760 3.453 20 0 DGADLN CN(CCC(=O)c1ccccc1)C(=O)Cc1ccc(S)cc1 ZINC001183191074 1083892446 /nfs/dbraw/zinc/89/24/46/1083892446.db2.gz QOLRFRJNTYAKHL-UHFFFAOYSA-N 0 2 313.422 3.249 20 0 DGADLN CSC[C@@H](C)C(=O)Nc1ccc(F)c(Br)c1O ZINC001183214262 1083897393 /nfs/dbraw/zinc/89/73/93/1083897393.db2.gz NGVBNVOPMWODKF-ZCFIWIBFSA-N 0 2 322.199 3.231 20 0 DGADLN Cc1cc(Cl)cc(NS(=O)(=O)c2cccnc2Cl)c1 ZINC001184875101 1084285353 /nfs/dbraw/zinc/28/53/53/1084285353.db2.gz FXXOIMWANMJPJR-UHFFFAOYSA-N 0 2 317.197 3.498 20 0 DGADLN Cc1cccc2ccc(NS(=O)(=O)c3ccsc3)nc12 ZINC001185341866 1084423692 /nfs/dbraw/zinc/42/36/92/1084423692.db2.gz JMMHVXSSWOCEBP-UHFFFAOYSA-N 0 2 304.396 3.406 20 0 DGADLN O=S(=O)(Nc1cc2ccccc2cc1O)c1ccsc1 ZINC001185384228 1084426022 /nfs/dbraw/zinc/42/60/22/1084426022.db2.gz PWJRQBJBDJWHDZ-UHFFFAOYSA-N 0 2 305.380 3.408 20 0 DGADLN CC(C)c1nnc(NS(=O)(=O)c2cc3ccccc3s2)o1 ZINC001185421335 1084435069 /nfs/dbraw/zinc/43/50/69/1084435069.db2.gz PAQSJEJWTFMZBW-UHFFFAOYSA-N 0 2 323.399 3.209 20 0 DGADLN Cc1ccncc1NS(=O)(=O)c1cc2ccccc2s1 ZINC001185421495 1084435123 /nfs/dbraw/zinc/43/51/23/1084435123.db2.gz SZUKJVYEWFEUFM-UHFFFAOYSA-N 0 2 304.396 3.406 20 0 DGADLN Cc1cc(S(=O)(=O)Nc2cccn3ccnc23)ccc1Cl ZINC001185494584 1084456210 /nfs/dbraw/zinc/45/62/10/1084456210.db2.gz LEHDVFBUOZWPMW-UHFFFAOYSA-N 0 2 321.789 3.097 20 0 DGADLN Cc1cc(S(=O)(=O)Nc2cnn3ccccc23)ccc1Cl ZINC001185497523 1084457250 /nfs/dbraw/zinc/45/72/50/1084457250.db2.gz YMUDHHDRHFHGEH-UHFFFAOYSA-N 0 2 321.789 3.097 20 0 DGADLN Cc1c(F)cccc1S(=O)(=O)Nc1cccc(C(C)C)n1 ZINC001185796440 1084528437 /nfs/dbraw/zinc/52/84/37/1084528437.db2.gz GGPHQVRMNSGHJZ-UHFFFAOYSA-N 0 2 308.378 3.453 20 0 DGADLN O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)c(O)c1Cl ZINC001232625668 1087607574 /nfs/dbraw/zinc/60/75/74/1087607574.db2.gz OMXLBIROFMRZKO-AOOOYVTPSA-N 0 2 300.185 3.395 20 0 DGADLN CC(C)c1cccc(NC(=O)c2cc(=O)c3cccc(O)c3[nH]2)n1 ZINC001152670350 1088040740 /nfs/dbraw/zinc/04/07/40/1088040740.db2.gz UBEPZVOIWGEXOO-UHFFFAOYSA-N 0 2 323.352 3.417 20 0 DGADLN Cc1cc(C)cc([C@@H](C)NC(=O)c2c[nH]c3cccnc3c2=O)c1 ZINC001153861440 1088389231 /nfs/dbraw/zinc/38/92/31/1088389231.db2.gz CPUYNPJAEJMEKS-CYBMUJFWSA-N 0 2 321.380 3.031 20 0 DGADLN CC1(C)CCC[C@@H](NC(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC001154470851 1088618317 /nfs/dbraw/zinc/61/83/17/1088618317.db2.gz 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O=C([O-])c1cnc(C[N@@H+](CCC(F)(F)F)CC2CC2)s1 ZINC001608970818 1193316879 /nfs/dbraw/zinc/31/68/79/1193316879.db2.gz GGNXZSMWJXSDDP-UHFFFAOYSA-N 0 2 308.325 3.006 20 0 DGADLN CCn1c2ccc(Cl)cc2[nH+]c1NCc1c[nH]c(C(=O)[O-])c1 ZINC001610087016 1193376293 /nfs/dbraw/zinc/37/62/93/1193376293.db2.gz PDAHBYLIAPNGQB-UHFFFAOYSA-N 0 2 318.764 3.348 20 0 DGADLN CO[C@H](CNc1ccc(C(=O)[O-])c[nH+]1)c1ccc(Cl)cc1 ZINC001610227256 1193378700 /nfs/dbraw/zinc/37/87/00/1193378700.db2.gz IRSDXHMNLBSQNS-CYBMUJFWSA-N 0 2 306.749 3.233 20 0 DGADLN COCC[C@@H]([NH2+][C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccco1 ZINC001610253708 1193380229 /nfs/dbraw/zinc/38/02/29/1193380229.db2.gz KQVKBERQDZWEIH-HIFRSBDPSA-N 0 2 323.776 3.426 20 0 DGADLN COc1cc(Cl)ccc1C[NH2+]C(C)(C)c1nocc1C(=O)[O-] ZINC001610297215 1193381759 /nfs/dbraw/zinc/38/17/59/1193381759.db2.gz QCIBDUJIJUPSQW-UHFFFAOYSA-N 0 2 324.764 3.060 20 0 DGADLN Cc1cc(NCc2ccc(C(=O)[O-])c(C3CC3)n2)nc(C2CC2)[nH+]1 ZINC001610475488 1193391404 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CC(C)c1nc([C@H]2CCCCN2C(=O)[C@H](F)C(F)(F)F)no1 ZINC001524514584 1187247293 /nfs/dbraw/zinc/24/72/93/1187247293.db2.gz HSQHMCPHULQOFF-BDAKNGLRSA-N 0 2 323.290 3.147 20 0 DGADLN O=C(NCc1noc2cc(F)ccc12)c1cccc(Cl)c1O ZINC001536527282 1188015428 /nfs/dbraw/zinc/01/54/28/1188015428.db2.gz HIAPYLANNGVYBW-UHFFFAOYSA-N 0 2 320.707 3.256 20 0 DGADLN CCc1ccc2c(c1)[C@@H](NC(=O)C(F)C(F)(F)F)CCO2 ZINC001536614495 1188020263 /nfs/dbraw/zinc/02/02/63/1188020263.db2.gz FABBRTCHIQGARQ-CMPLNLGQSA-N 0 2 305.271 3.089 20 0 DGADLN CCc1ccc2c(c1)[C@@H](NC(=O)[C@@H](F)C(F)(F)F)CCO2 ZINC001536614495 1188020268 /nfs/dbraw/zinc/02/02/68/1188020268.db2.gz FABBRTCHIQGARQ-CMPLNLGQSA-N 0 2 305.271 3.089 20 0 DGADLN CCCCc1nnc(NC(=O)c2cc(F)cc(F)c2O)s1 ZINC001542218971 1188279256 /nfs/dbraw/zinc/27/92/56/1188279256.db2.gz ZGRHVIVRFNGJGA-UHFFFAOYSA-N 0 2 313.329 3.117 20 0 DGADLN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CC[C@@H](c2ccccc2)O1 ZINC001551336847 1188728964 /nfs/dbraw/zinc/72/89/64/1188728964.db2.gz 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O=C(N[C@@H]1CCOc2c(F)cccc21)c1cc(F)c(O)c(F)c1 ZINC000368342880 434572046 /nfs/dbraw/zinc/57/20/46/434572046.db2.gz XNKSRIMOOMWUGG-CYBMUJFWSA-N 0 2 323.270 3.063 20 0 DGADLN Cc1ccccc1-c1nsc(NC[C@H]2CCOC[C@H]2C)n1 ZINC000528019971 295168196 /nfs/dbraw/zinc/16/81/96/295168196.db2.gz SPAAOPSKIRFFOL-CHWSQXEVSA-N 0 2 303.431 3.020 20 0 DGADLN Cc1cc(F)cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000439220033 434578099 /nfs/dbraw/zinc/57/80/99/434578099.db2.gz CCZBVFBGNUWSAN-UHFFFAOYSA-N 0 2 314.295 3.311 20 0 DGADLN C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1coc(S(C)(=O)=O)c1 ZINC000528399764 295208455 /nfs/dbraw/zinc/20/84/55/295208455.db2.gz JIOGUDPXEZMTIZ-BBRMVZONSA-N 0 2 319.426 3.061 20 0 DGADLN O=c1nc(CN2CCCc3cccc(F)c32)[nH]c2ccsc21 ZINC000349025314 434581663 /nfs/dbraw/zinc/58/16/63/434581663.db2.gz GZKNQIKQXIZOHI-UHFFFAOYSA-N 0 2 315.373 3.489 20 0 DGADLN CC[C@H](NS(=O)(=O)Cc1cc(C)cc(C)c1)C(F)(F)F ZINC000410331934 434642679 /nfs/dbraw/zinc/64/26/79/434642679.db2.gz FUDSIAHSNXUUDD-LBPRGKRZSA-N 0 2 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ZINC000475056283 435173678 /nfs/dbraw/zinc/17/36/78/435173678.db2.gz HBOSLGBMNDSUHW-UHFFFAOYSA-N 0 2 306.394 3.492 20 0 DGADLN Cc1cc(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000561426004 435216866 /nfs/dbraw/zinc/21/68/66/435216866.db2.gz OYMZSUCRRHDQSJ-SFHVURJKSA-N 0 2 324.472 3.272 20 0 DGADLN O=S(=O)(C[C@@H]1CCCCO1)Nc1cccc2ccsc21 ZINC000533550734 435245912 /nfs/dbraw/zinc/24/59/12/435245912.db2.gz SAVDBUTUPKALNN-LBPRGKRZSA-N 0 2 311.428 3.212 20 0 DGADLN C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ncc(C(=O)[O-])s1 ZINC000584173080 435282245 /nfs/dbraw/zinc/28/22/45/435282245.db2.gz SBUDYVCBEXHNDB-MRVPVSSYSA-N 0 2 323.443 3.416 20 0 DGADLN CC[C@H](C)[C@@H](NC(=O)N=c1cccn[nH]1)c1ccc(Cl)cc1 ZINC000478700608 435308522 /nfs/dbraw/zinc/30/85/22/435308522.db2.gz RURBFLZXBYFRJR-XHDPSFHLSA-N 0 2 318.808 3.461 20 0 DGADLN CCc1ccc(S(=O)(=O)Nc2cc3cn[nH]c3cc2C)cc1 ZINC000479122488 435319885 /nfs/dbraw/zinc/31/98/85/435319885.db2.gz VSYRAOWZAJPXPX-UHFFFAOYSA-N 0 2 315.398 3.235 20 0 DGADLN Cc1cccc(F)c1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000479132874 435321165 /nfs/dbraw/zinc/32/11/65/435321165.db2.gz JXPKVMDZHGMPKY-UHFFFAOYSA-N 0 2 320.389 3.209 20 0 DGADLN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])co2)C[C@H](c2ccc(F)cc2)O1 ZINC000567742548 435349333 /nfs/dbraw/zinc/34/93/33/435349333.db2.gz KCZPNIWLSMJJGE-BDJLRTHQSA-N 0 2 319.332 3.079 20 0 DGADLN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])co2)C[C@H](c2ccc(F)cc2)O1 ZINC000567742548 435349337 /nfs/dbraw/zinc/34/93/37/435349337.db2.gz KCZPNIWLSMJJGE-BDJLRTHQSA-N 0 2 319.332 3.079 20 0 DGADLN C[C@H](C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1)C(C)(C)C ZINC000479746919 435351635 /nfs/dbraw/zinc/35/16/35/435351635.db2.gz ASECNRDRVFEKOX-MRVPVSSYSA-N 0 2 308.332 3.371 20 0 DGADLN CCS(=O)(=O)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000512431596 435355169 /nfs/dbraw/zinc/35/51/69/435355169.db2.gz HEVBLEFYTIWIOV-ZDUSSCGKSA-N 0 2 317.332 3.383 20 0 DGADLN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2Cl)on1 ZINC000568055022 435382845 /nfs/dbraw/zinc/38/28/45/435382845.db2.gz FLJDCYVADNYCIY-AWEZNQCLSA-N 0 2 320.776 3.434 20 0 DGADLN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2Cl)on1 ZINC000568055022 435382848 /nfs/dbraw/zinc/38/28/48/435382848.db2.gz FLJDCYVADNYCIY-AWEZNQCLSA-N 0 2 320.776 3.434 20 0 DGADLN COc1ccc(S(=O)(=O)Nc2scnc2C2CC2)c(C)c1 ZINC000536497200 435386427 /nfs/dbraw/zinc/38/64/27/435386427.db2.gz NGVJEKIKXYLLJA-UHFFFAOYSA-N 0 2 324.427 3.138 20 0 DGADLN CC[C@@H](C)CN(C)c1ccc(F)cc1CN=c1[nH]ncs1 ZINC000537505718 435447263 /nfs/dbraw/zinc/44/72/63/435447263.db2.gz AMSLHVPLACGONK-LLVKDONJSA-N 0 2 308.426 3.194 20 0 DGADLN CC[C@@H](CC(C)C)C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000648904463 435451857 /nfs/dbraw/zinc/45/18/57/435451857.db2.gz IMAYSHARCPDYKA-NSHDSACASA-N 0 2 303.362 3.041 20 0 DGADLN CC(C)(C)c1nc(=NC[C@]2(C)OCCc3sccc32)s[nH]1 ZINC000568691063 435461472 /nfs/dbraw/zinc/46/14/72/435461472.db2.gz HZHZALWAIRNLQF-HNNXBMFYSA-N 0 2 323.487 3.219 20 0 DGADLN Cc1cc(=NC(=O)CCSc2cccc(Cl)c2)[nH]nc1C ZINC000568808113 435473404 /nfs/dbraw/zinc/47/34/04/435473404.db2.gz MPLRZQXVAJZJLS-UHFFFAOYSA-N 0 2 321.833 3.290 20 0 DGADLN Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])s1 ZINC000568402570 435434430 /nfs/dbraw/zinc/43/44/30/435434430.db2.gz NBUYIIYMXIADHN-IONNQARKSA-N 0 2 322.352 3.155 20 0 DGADLN Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])s1 ZINC000568402570 435434434 /nfs/dbraw/zinc/43/44/34/435434434.db2.gz NBUYIIYMXIADHN-IONNQARKSA-N 0 2 322.352 3.155 20 0 DGADLN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2O)c(Cl)c1 ZINC000481618738 435436832 /nfs/dbraw/zinc/43/68/32/435436832.db2.gz HBIFVTVCLXWPQC-UHFFFAOYSA-N 0 2 315.753 3.294 20 0 DGADLN C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000569009977 435494442 /nfs/dbraw/zinc/49/44/42/435494442.db2.gz CXWHGIIJQDIKKK-LLVKDONJSA-N 0 2 317.389 3.258 20 0 DGADLN C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000569009977 435494449 /nfs/dbraw/zinc/49/44/49/435494449.db2.gz CXWHGIIJQDIKKK-LLVKDONJSA-N 0 2 317.389 3.258 20 0 DGADLN 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Cc1cccc(Cl)c1C[N@@H+](C)[C@H](COC1CCC1)C(=O)[O-] ZINC001600534944 1192870011 /nfs/dbraw/zinc/87/00/11/1192870011.db2.gz ABWWZBBKLXUNGG-OAHLLOKOSA-N 0 2 311.809 3.103 20 0 DGADLN Cc1cccc(Cl)c1C[N@H+](C)[C@H](COC1CCC1)C(=O)[O-] ZINC001600534944 1192870020 /nfs/dbraw/zinc/87/00/20/1192870020.db2.gz ABWWZBBKLXUNGG-OAHLLOKOSA-N 0 2 311.809 3.103 20 0 DGADLN Cc1[nH+]c(C(=O)[O-])cn1Cc1ccc(OC(C)C)c(Cl)c1 ZINC001600686000 1192892523 /nfs/dbraw/zinc/89/25/23/1192892523.db2.gz MTNCXAKRFKXZJR-UHFFFAOYSA-N 0 2 308.765 3.379 20 0 DGADLN NC(=[NH+]OCc1cccc(F)c1Cl)c1cccc(C(=O)[O-])c1 ZINC001601137230 1192921427 /nfs/dbraw/zinc/92/14/27/1192921427.db2.gz WZMOXORDISYBFN-UHFFFAOYSA-N 0 2 322.723 3.224 20 0 DGADLN CC(C)c1oncc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC001335871019 1178965505 /nfs/dbraw/zinc/96/55/05/1178965505.db2.gz ANADMXPMMHOKPB-UHFFFAOYSA-N 0 2 300.767 3.252 20 0 DGADLN O=C([O-])/C=C/c1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)o1 ZINC001601877330 1192948771 /nfs/dbraw/zinc/94/87/71/1192948771.db2.gz 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RYJDBUUHQLOWFM-LDYMZIIASA-N 0 2 318.236 3.338 20 0 DGADLN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1Cc1cscc1Br ZINC001594216344 959331632 /nfs/dbraw/zinc/33/16/32/959331632.db2.gz RYJDBUUHQLOWFM-LDYMZIIASA-N 0 2 318.236 3.338 20 0 DGADLN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1cc(-c2ccccc2Cl)on1 ZINC001594220242 959364365 /nfs/dbraw/zinc/36/43/65/959364365.db2.gz SGODWXFZPOQSPQ-QMTHXVAHSA-N 0 2 320.776 3.433 20 0 DGADLN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(-c2ccccc2Cl)on1 ZINC001594220242 959364381 /nfs/dbraw/zinc/36/43/81/959364381.db2.gz SGODWXFZPOQSPQ-QMTHXVAHSA-N 0 2 320.776 3.433 20 0 DGADLN CC(C)CO[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001326817910 961129991 /nfs/dbraw/zinc/12/99/91/961129991.db2.gz JBZPLMFDTRLTHL-IUODEOHRSA-N 0 2 311.809 3.213 20 0 DGADLN CC(C)CO[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001326817910 961130004 /nfs/dbraw/zinc/13/00/04/961130004.db2.gz JBZPLMFDTRLTHL-IUODEOHRSA-N 0 2 311.809 3.213 20 0 DGADLN Cc1cc(N[C@H](Cc2ccccc2)C(=O)[O-])nc(C2CCC2)[nH+]1 ZINC001605213613 972958672 /nfs/dbraw/zinc/95/86/72/972958672.db2.gz YITOQNMHXCMDSW-OAHLLOKOSA-N 0 2 311.385 3.160 20 0 DGADLN C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)[C@@H]1C(=O)[O-] ZINC001603414901 973101620 /nfs/dbraw/zinc/10/16/20/973101620.db2.gz NRRXUBZVUNOIEA-KWQFWETISA-N 0 2 307.337 3.452 20 0 DGADLN C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)[C@@H]1C(=O)[O-] ZINC001603414901 973101629 /nfs/dbraw/zinc/10/16/29/973101629.db2.gz NRRXUBZVUNOIEA-KWQFWETISA-N 0 2 307.337 3.452 20 0 DGADLN C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(N2CCCC2)[nH+]c1 ZINC001592446502 978125293 /nfs/dbraw/zinc/12/52/93/978125293.db2.gz YGYLNFLBXIGYNT-ZDUSSCGKSA-N 0 2 305.422 3.373 20 0 DGADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1cc(OC)ns1 ZINC001595362542 980772170 /nfs/dbraw/zinc/77/21/70/980772170.db2.gz IWIORTRXFBBIFP-AWEZNQCLSA-N 0 2 320.414 3.190 20 0 DGADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cc(OC)ns1 ZINC001595362542 980772172 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CCO[C@H]1C[C@H](Nc2cc(CC(=O)[O-])cc[nH+]2)C12CCCCC2 ZINC001596843504 985534312 /nfs/dbraw/zinc/53/43/12/985534312.db2.gz SGKMVSUPIMSRNA-GJZGRUSLSA-N 0 2 318.417 3.249 20 0 DGADLN C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC001594665400 986957358 /nfs/dbraw/zinc/95/73/58/986957358.db2.gz DYMKJPRAYFGYRO-JTQLQIEISA-N 0 2 318.323 3.177 20 0 DGADLN C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC001594665400 986957365 /nfs/dbraw/zinc/95/73/65/986957365.db2.gz DYMKJPRAYFGYRO-JTQLQIEISA-N 0 2 318.323 3.177 20 0 DGADLN CCc1oc(C[NH2+][C@H]2COc3c2cccc3Cl)cc1C(=O)[O-] ZINC001597802287 989399726 /nfs/dbraw/zinc/39/97/26/989399726.db2.gz NREYAPXFJFFGBK-ZDUSSCGKSA-N 0 2 321.760 3.417 20 0 DGADLN CN(C)c1cc(CSCc2ccccc2C(=O)[O-])cc[nH+]1 ZINC001598306394 991263841 /nfs/dbraw/zinc/26/38/41/991263841.db2.gz USOCGNWZCYSPMY-UHFFFAOYSA-N 0 2 302.399 3.279 20 0 DGADLN C[N@H+](CCC(F)(F)F)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001598470600 992019419 /nfs/dbraw/zinc/01/94/19/992019419.db2.gz KRCGFEZEYZDQHV-SNVBAGLBSA-N 0 2 313.678 3.489 20 0 DGADLN C[N@@H+](CCC(F)(F)F)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001598470600 992019422 /nfs/dbraw/zinc/01/94/22/992019422.db2.gz KRCGFEZEYZDQHV-SNVBAGLBSA-N 0 2 313.678 3.489 20 0 DGADLN C[N@H+](Cc1ccccn1)[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598531120 992782553 /nfs/dbraw/zinc/78/25/53/992782553.db2.gz VHMCFQKXTGUTSN-CQSZACIVSA-N 0 2 324.302 3.358 20 0 DGADLN C[N@@H+](Cc1ccccn1)[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598531120 992782561 /nfs/dbraw/zinc/78/25/61/992782561.db2.gz VHMCFQKXTGUTSN-CQSZACIVSA-N 0 2 324.302 3.358 20 0 DGADLN C[C@@H]([NH2+][C@@H](C)c1nc(C(=O)[O-])co1)c1ccc2ncsc2c1 ZINC001593203038 994184947 /nfs/dbraw/zinc/18/49/47/994184947.db2.gz CEPVEBZMYZPHOD-BDAKNGLRSA-N 0 2 317.370 3.394 20 0 DGADLN C[C@H](c1cccc(O)c1)[N@@H+](C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001593704056 996183199 /nfs/dbraw/zinc/18/31/99/996183199.db2.gz YDHYWZOVZRNVFN-ZJUUUORDSA-N 0 2 306.387 3.301 20 0 DGADLN C[C@H](c1cccc(O)c1)[N@H+](C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001593704056 996183203 /nfs/dbraw/zinc/18/32/03/996183203.db2.gz YDHYWZOVZRNVFN-ZJUUUORDSA-N 0 2 306.387 3.301 20 0 DGADLN C[C@H](c1ncc(C(=O)[O-])s1)[NH+]1CCC(C(F)(F)F)CC1 ZINC001593732065 996308368 /nfs/dbraw/zinc/30/83/68/996308368.db2.gz MXPKWZTUQZCBQQ-SSDOTTSWSA-N 0 2 308.325 3.177 20 0 DGADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001593732293 996310559 /nfs/dbraw/zinc/31/05/59/996310559.db2.gz RLQJNQOTDHLCGT-CMPLNLGQSA-N 0 2 303.387 3.134 20 0 DGADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001593732293 996310565 /nfs/dbraw/zinc/31/05/65/996310565.db2.gz RLQJNQOTDHLCGT-CMPLNLGQSA-N 0 2 303.387 3.134 20 0 DGADLN CC1(C)CCc2onc(C[N@@H+]3CCCCC[C@H]3C(=O)[O-])c2C1 ZINC001593924369 996846962 /nfs/dbraw/zinc/84/69/62/996846962.db2.gz GEPOOFHPXLMARZ-AWEZNQCLSA-N 0 2 306.406 3.019 20 0 DGADLN CC1(C)CCc2onc(C[N@H+]3CCCCC[C@H]3C(=O)[O-])c2C1 ZINC001593924369 996846976 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988231560 /nfs/dbraw/zinc/23/15/60/988231560.db2.gz KNDXHDANBJPZRB-UHFFFAOYSA-N 0 2 314.476 3.225 20 0 DGADLN CSc1cccc(F)c1CNc1cc(CC(=O)[O-])cc[nH+]1 ZINC001599821750 988526424 /nfs/dbraw/zinc/52/64/24/988526424.db2.gz GXQYQQKFCQASQQ-UHFFFAOYSA-N 0 2 306.362 3.182 20 0 DGADLN CCc1cnc(C[N@H+](C)Cc2ccc(C(=O)[O-])c(C)c2)s1 ZINC001597628752 988587933 /nfs/dbraw/zinc/58/79/33/988587933.db2.gz HIGINWRFZXZVLJ-UHFFFAOYSA-N 0 2 304.415 3.344 20 0 DGADLN CCc1cnc(C[N@@H+](C)Cc2ccc(C(=O)[O-])c(C)c2)s1 ZINC001597628752 988587938 /nfs/dbraw/zinc/58/79/38/988587938.db2.gz HIGINWRFZXZVLJ-UHFFFAOYSA-N 0 2 304.415 3.344 20 0 DGADLN CCc1nc([C@H](C)[NH2+][C@H](C)c2cncc(C(=O)[O-])c2)cs1 ZINC001597656608 988711898 /nfs/dbraw/zinc/71/18/98/988711898.db2.gz UWYCKPIYNGJUJX-ZJUUUORDSA-N 0 2 305.403 3.211 20 0 DGADLN CCc1oc(C(=O)[O-])cc1C[NH2+]C1(c2nc(C)cs2)CCC1 ZINC001597767354 989218915 /nfs/dbraw/zinc/21/89/15/989218915.db2.gz JSDXLTBQIKBFIJ-UHFFFAOYSA-N 0 2 320.414 3.474 20 0 DGADLN CCn1nc(C)c(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2C)c1C ZINC001597933198 989893449 /nfs/dbraw/zinc/89/34/49/989893449.db2.gz GFIBEZNDTGFJCE-QGZVFWFLSA-N 0 2 315.417 3.086 20 0 DGADLN CCn1nc(C)c(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2C)c1C ZINC001597933198 989893455 /nfs/dbraw/zinc/89/34/55/989893455.db2.gz GFIBEZNDTGFJCE-QGZVFWFLSA-N 0 2 315.417 3.086 20 0 DGADLN CC(C)C[C@@H]([NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)[O-] ZINC001591183067 991981168 /nfs/dbraw/zinc/98/11/68/991981168.db2.gz DLLWIGTVODYNTK-ZWNOBZJWSA-N 0 2 321.352 3.026 20 0 DGADLN CN(c1cc(CC(=O)[O-])cc[nH+]1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001598542821 992918331 /nfs/dbraw/zinc/91/83/31/992918331.db2.gz IIEYSODNCGZZHG-TXEJJXNPSA-N 0 2 316.323 3.266 20 0 DGADLN COc1ccc(OC)c([C@H](C)Nc2ccc(C)c(C(=O)[O-])[nH+]2)c1 ZINC001599601544 993822726 /nfs/dbraw/zinc/82/27/26/993822726.db2.gz CGAABKKBSWOWJJ-NSHDSACASA-N 0 2 316.357 3.279 20 0 DGADLN COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C(=O)[O-])c2ccsc2)c1 ZINC001599603336 993848725 /nfs/dbraw/zinc/84/87/25/993848725.db2.gz VWIGEWSXGFJSEF-BMIGLBTASA-N 0 2 321.398 3.242 20 0 DGADLN COc1ccc2ccc(N[C@H]3C[C@H]4C[C@H](C(=O)[O-])C[C@H]43)[nH+]c2c1 ZINC001599635620 994283621 /nfs/dbraw/zinc/28/36/21/994283621.db2.gz BEXADUPMKTUEPT-FIRUKDTASA-N 0 2 312.369 3.155 20 0 DGADLN COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc(C)c(C(=O)[O-])o1 ZINC001599677946 994929527 /nfs/dbraw/zinc/92/95/27/994929527.db2.gz UGWXTMYYCQEAPF-JTQLQIEISA-N 0 2 307.321 3.285 20 0 DGADLN C[C@@H](c1ncc(C(=O)[O-])s1)[NH+]1CCC(C(F)(F)F)CC1 ZINC001593732066 996308103 /nfs/dbraw/zinc/30/81/03/996308103.db2.gz MXPKWZTUQZCBQQ-ZETCQYMHSA-N 0 2 308.325 3.177 20 0 DGADLN C[C@@H](c1nc2ccccc2o1)[N@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001593734034 996322201 /nfs/dbraw/zinc/32/22/01/996322201.db2.gz PLNYHRFFLSNFQP-NSHDSACASA-N 0 2 311.341 3.114 20 0 DGADLN C[C@@H](c1nc2ccccc2o1)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001593734034 996322207 /nfs/dbraw/zinc/32/22/07/996322207.db2.gz PLNYHRFFLSNFQP-NSHDSACASA-N 0 2 311.341 3.114 20 0 DGADLN CC1(C)C[N@H+](Cc2csc(C(=O)[O-])c2)[C@H]1c1cccnc1 ZINC001593945357 996990073 /nfs/dbraw/zinc/99/00/73/996990073.db2.gz WWIVFVFYWQARFN-AWEZNQCLSA-N 0 2 302.399 3.424 20 0 DGADLN CC1(C)C[N@@H+](Cc2csc(C(=O)[O-])c2)[C@H]1c1cccnc1 ZINC001593945357 996990086 /nfs/dbraw/zinc/99/00/86/996990086.db2.gz WWIVFVFYWQARFN-AWEZNQCLSA-N 0 2 302.399 3.424 20 0 DGADLN COCC[C@H]([NH2+][C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccco1 ZINC001599217260 997604892 /nfs/dbraw/zinc/60/48/92/997604892.db2.gz CRWVZERVLNCBCK-DZGCQCFKSA-N 0 2 323.776 3.426 20 0 DGADLN COCC[C@H]([NH2+][C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccco1 ZINC001599217263 997605074 /nfs/dbraw/zinc/60/50/74/997605074.db2.gz CRWVZERVLNCBCK-ZFWWWQNUSA-N 0 2 323.776 3.426 20 0 DGADLN COc1c(C[NH2+]Cc2cc(C(=O)[O-])c(C)o2)oc2ccccc21 ZINC001599333394 997787992 /nfs/dbraw/zinc/78/79/92/997787992.db2.gz CAKQQJNLLQXUGI-UHFFFAOYSA-N 0 2 315.325 3.331 20 0 DGADLN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCC(C)=C(Br)C1 ZINC001594090711 998039754 /nfs/dbraw/zinc/03/97/54/998039754.db2.gz QGRCOTFGZBTPTJ-UHFFFAOYSA-N 0 2 314.179 3.161 20 0 DGADLN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC(C)=C(Br)C1 ZINC001594090711 998039764 /nfs/dbraw/zinc/03/97/64/998039764.db2.gz QGRCOTFGZBTPTJ-UHFFFAOYSA-N 0 2 314.179 3.161 20 0 DGADLN COc1cc(OC)cc([C@H]([NH2+][C@H](C)c2ccsc2)C(=O)[O-])c1 ZINC001599453669 998150832 /nfs/dbraw/zinc/15/08/32/998150832.db2.gz QTNZPZJUIMHBSY-BMIGLBTASA-N 0 2 321.398 3.242 20 0 DGADLN COc1ccc(C[N@H+](C)[C@@H](C)c2ncc(C(=O)[O-])s2)cc1F ZINC001599559352 998160237 /nfs/dbraw/zinc/16/02/37/998160237.db2.gz WPMRLYNRNRSPJH-VIFPVBQESA-N 0 2 324.377 3.182 20 0 DGADLN COc1ccc(C[N@@H+](C)[C@@H](C)c2ncc(C(=O)[O-])s2)cc1F ZINC001599559352 998160239 /nfs/dbraw/zinc/16/02/39/998160239.db2.gz WPMRLYNRNRSPJH-VIFPVBQESA-N 0 2 324.377 3.182 20 0 DGADLN COC(=O)c1cccc([C@@H]([NH2+][C@H](C)c2ccsc2)C(=O)[O-])c1 ZINC001598995405 998775267 /nfs/dbraw/zinc/77/52/67/998775267.db2.gz LAPVANDTXSXIFU-QMTHXVAHSA-N 0 2 319.382 3.011 20 0 DGADLN C[C@H]1C[C@H]([NH2+]Cc2cc(C(=O)[O-])ccc2Cl)c2nccn21 ZINC001594262540 999014592 /nfs/dbraw/zinc/01/45/92/999014592.db2.gz XLHKDXJTMKJKLL-ZANVPECISA-N 0 2 305.765 3.030 20 0 DGADLN O=C1CCN(Cc2cc(Cl)c(O)c(Cl)c2)CC[C@@H]1F ZINC001140835014 1092024502 /nfs/dbraw/zinc/02/45/02/1092024502.db2.gz JANFXSKQAZCMKR-NSHDSACASA-N 0 2 306.164 3.202 20 0 DGADLN CC(C)CS(=O)(=O)Nc1nc2cccc(Cl)c2s1 ZINC001259878704 1107217337 /nfs/dbraw/zinc/21/73/37/1107217337.db2.gz XQNIJFYTAJRJKK-UHFFFAOYSA-N 0 2 304.824 3.347 20 0 DGADLN COC(=O)c1cc2cc(-c3cc(F)c(O)cc3F)cnc2[nH]1 ZINC001211340029 1082115568 /nfs/dbraw/zinc/11/55/68/1082115568.db2.gz RNUCDEFIBNTBOD-UHFFFAOYSA-N 0 2 304.252 3.000 20 0 DGADLN Nc1ccc(-c2ccc(NC(=O)C(CO)C(F)(F)F)cc2)cc1 ZINC001183283052 1083923140 /nfs/dbraw/zinc/92/31/40/1083923140.db2.gz AUVYKEJTBSZRIO-CQSZACIVSA-N 0 2 324.302 3.045 20 0 DGADLN Nc1ccc(-c2ccc(NC(=O)[C@@H](CO)C(F)(F)F)cc2)cc1 ZINC001183283052 1083923147 /nfs/dbraw/zinc/92/31/47/1083923147.db2.gz AUVYKEJTBSZRIO-CQSZACIVSA-N 0 2 324.302 3.045 20 0 DGADLN Cc1nc2cc(NC(=O)C(CO)C(F)(F)F)c(C)cc2s1 ZINC001183284457 1083923218 /nfs/dbraw/zinc/92/32/18/1083923218.db2.gz KYWJNRUJMMJSBK-MRVPVSSYSA-N 0 2 318.320 3.022 20 0 DGADLN Cc1nc2cc(NC(=O)[C@@H](CO)C(F)(F)F)c(C)cc2s1 ZINC001183284457 1083923228 /nfs/dbraw/zinc/92/32/28/1083923228.db2.gz KYWJNRUJMMJSBK-MRVPVSSYSA-N 0 2 318.320 3.022 20 0 DGADLN CC(=O)c1c(F)cc(F)cc1NS(=O)(=O)c1ccsc1 ZINC001185390323 1084427242 /nfs/dbraw/zinc/42/72/42/1084427242.db2.gz FEIBSFONZUYJLG-UHFFFAOYSA-N 0 2 317.338 3.030 20 0 DGADLN Cc1ncccc1NS(=O)(=O)c1cc2ccccc2s1 ZINC001185421499 1084434981 /nfs/dbraw/zinc/43/49/81/1084434981.db2.gz TUNFYGDMVOXLCI-UHFFFAOYSA-N 0 2 304.396 3.406 20 0 DGADLN Cc1cc(S(=O)(=O)Nc2ncc(F)s2)ccc1Cl ZINC001185489447 1084447485 /nfs/dbraw/zinc/44/74/85/1084447485.db2.gz GTCQAJIHUBTEAE-UHFFFAOYSA-N 0 2 306.771 3.045 20 0 DGADLN O=C(Nc1nc2cc(Cl)c(F)cc2[nH]1)c1c(O)cccc1F ZINC001301280706 1087039338 /nfs/dbraw/zinc/03/93/38/1087039338.db2.gz UXFUBODKDSRZEU-UHFFFAOYSA-N 0 2 323.686 3.452 20 0 DGADLN C[C@@]1(F)CC[N@H+](Cc2ccc(Cl)cc2C(=O)[O-])C[C@H]1F ZINC001142647127 1087395938 /nfs/dbraw/zinc/39/59/38/1087395938.db2.gz PODSLWSLXDPSQR-TZMCWYRMSA-N 0 2 303.736 3.310 20 0 DGADLN C[C@@]1(F)CC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])C[C@H]1F ZINC001142647127 1087395942 /nfs/dbraw/zinc/39/59/42/1087395942.db2.gz PODSLWSLXDPSQR-TZMCWYRMSA-N 0 2 303.736 3.310 20 0 DGADLN Cc1ccc(CNC(=O)C(F)C(F)(F)F)c(OC(C)C)c1 ZINC001126940570 1087416259 /nfs/dbraw/zinc/41/62/59/1087416259.db2.gz LDQMCNPARHJTKW-GFCCVEGCSA-N 0 2 307.287 3.299 20 0 DGADLN Cc1ccc(CNC(=O)[C@@H](F)C(F)(F)F)c(OC(C)C)c1 ZINC001126940570 1087416261 /nfs/dbraw/zinc/41/62/61/1087416261.db2.gz LDQMCNPARHJTKW-GFCCVEGCSA-N 0 2 307.287 3.299 20 0 DGADLN CCc1cc(N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC001158523148 1087889460 /nfs/dbraw/zinc/88/94/60/1087889460.db2.gz GTFAMWBCZQEJCT-HZPDHXFCSA-N 0 2 324.472 3.447 20 0 DGADLN CC(C)c1cccnc1NC(=O)c1cc(=O)c2cccc(O)c2[nH]1 ZINC001152670832 1088042675 /nfs/dbraw/zinc/04/26/75/1088042675.db2.gz GQOJGYJULVOPON-UHFFFAOYSA-N 0 2 323.352 3.417 20 0 DGADLN O=C(Nc1cscc1Br)c1ccc2[nH]nnc2c1 ZINC001159769181 1088476790 /nfs/dbraw/zinc/47/67/90/1088476790.db2.gz ALERJQNQJOCASR-UHFFFAOYSA-N 0 2 323.175 3.034 20 0 DGADLN O=C(Nc1nc(-c2ccccc2)no1)c1ncc(Cl)s1 ZINC001160685193 1088918871 /nfs/dbraw/zinc/91/88/71/1088918871.db2.gz FYHSCRWBVKIHGX-UHFFFAOYSA-N 0 2 306.734 3.099 20 0 DGADLN O=C(Nc1ccc(C(F)(F)F)nn1)c1cccc(Cl)c1O ZINC001520462843 1089274769 /nfs/dbraw/zinc/27/47/69/1089274769.db2.gz HBRHFRIAWXETJG-UHFFFAOYSA-N 0 2 317.654 3.107 20 0 DGADLN [S-]c1cc(S)cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001162963403 1090038721 /nfs/dbraw/zinc/03/87/21/1090038721.db2.gz RFUSTRNTPIVVCU-CYBMUJFWSA-N 0 2 324.515 3.225 20 0 DGADLN Cn1c(Nc2cc(F)c(C(=O)[O-])c(F)c2)[nH+]c2ccccc21 ZINC001203315884 1090719534 /nfs/dbraw/zinc/71/95/34/1090719534.db2.gz DJPVJMJBPFWHRD-UHFFFAOYSA-N 0 2 303.268 3.293 20 0 DGADLN c1csc(C[N@@H+]2CCN3C[C@H](Oc4ccccc4)C[C@@H]3C2)c1 ZINC001204013663 1090868742 /nfs/dbraw/zinc/86/87/42/1090868742.db2.gz FARVCMGZOILZGS-NVXWUHKLSA-N 0 2 314.454 3.086 20 0 DGADLN CCOCCONC(=O)C1(c2ccccc2)CCCCCC1 ZINC001138353755 1091149749 /nfs/dbraw/zinc/14/97/49/1091149749.db2.gz XSTZVWOTORMRKI-UHFFFAOYSA-N 0 2 305.418 3.363 20 0 DGADLN Cc1ccc(CC(=O)Nc2ccc3nn[nH]c3c2)cc1Cl ZINC001294386716 1091385289 /nfs/dbraw/zinc/38/52/89/1091385289.db2.gz IWMLPVYVSMJUAG-UHFFFAOYSA-N 0 2 300.749 3.101 20 0 DGADLN Cn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cc1C=O ZINC001295107428 1091505306 /nfs/dbraw/zinc/50/53/06/1091505306.db2.gz DXQCUJAZUZOCGP-UHFFFAOYSA-N 0 2 313.140 3.102 20 0 DGADLN CCCC[C@@H](CC)C[N@@H+]1CCC12CN(Cc1cccc(N)[nH+]1)C2 ZINC001276491650 1091710686 /nfs/dbraw/zinc/71/06/86/1091710686.db2.gz HFQVUUSBFKCDRP-MRXNPFEDSA-N 0 2 316.493 3.140 20 0 DGADLN Cc1[nH]c(C[N@H+](C)Cc2nc3ccccc3o2)c(C)c1C(=O)[O-] ZINC001140497659 1091890588 /nfs/dbraw/zinc/89/05/88/1091890588.db2.gz PXGBWIVURQRKDX-UHFFFAOYSA-N 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Cc1c([C@@H](C)NC(=O)C(F)(F)F)cnn1-c1ccc(F)cc1 ZINC000171246467 659270027 /nfs/dbraw/zinc/27/00/27/659270027.db2.gz RBIXFJQOJLEIJN-MRVPVSSYSA-N 0 2 315.270 3.059 20 0 DGADLN O=S(=O)(Nc1ccc(Cl)nc1)c1cccc2cccnc21 ZINC000172197728 659324500 /nfs/dbraw/zinc/32/45/00/659324500.db2.gz YMDPKRZKLLVIBH-UHFFFAOYSA-N 0 2 319.773 3.084 20 0 DGADLN Cc1cc(S(=O)(=O)Nc2ccnc(Cl)c2)c(F)cc1F ZINC000180241874 659956402 /nfs/dbraw/zinc/95/64/02/659956402.db2.gz UPMWOJNHEHYIBI-UHFFFAOYSA-N 0 2 318.732 3.122 20 0 DGADLN COc1cnc([C@@H]2CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)[n-]c1=O ZINC000934270121 661692476 /nfs/dbraw/zinc/69/24/76/661692476.db2.gz NUZRDPZJGHJFAF-HNNXBMFYSA-N 0 2 324.384 3.009 20 0 DGADLN COc1cnc([C@@H]2CCC[N@H+]2Cc2ccc3cc[nH]c3c2)[n-]c1=O ZINC000934270121 661692478 /nfs/dbraw/zinc/69/24/78/661692478.db2.gz NUZRDPZJGHJFAF-HNNXBMFYSA-N 0 2 324.384 3.009 20 0 DGADLN Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)c(C)c1 ZINC000047247771 661873936 /nfs/dbraw/zinc/87/39/36/661873936.db2.gz PQSVJWOMPUTORY-DGCLKSJQSA-N 0 2 317.370 3.031 20 0 DGADLN C#Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000048653770 661893895 /nfs/dbraw/zinc/89/38/95/661893895.db2.gz ZKIIVOXZMDYTGP-UHFFFAOYSA-N 0 2 309.749 3.261 20 0 DGADLN COCCN(CCC#N)Cc1cc(Cl)cc(Cl)c1O ZINC000093100085 662344250 /nfs/dbraw/zinc/34/42/50/662344250.db2.gz SYLDMTBMEFSPDP-UHFFFAOYSA-N 0 2 303.189 3.061 20 0 DGADLN COCC[N@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093100085 662344253 /nfs/dbraw/zinc/34/42/53/662344253.db2.gz SYLDMTBMEFSPDP-UHFFFAOYSA-N 0 2 303.189 3.061 20 0 DGADLN COCC[N@@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093100085 662344255 /nfs/dbraw/zinc/34/42/55/662344255.db2.gz SYLDMTBMEFSPDP-UHFFFAOYSA-N 0 2 303.189 3.061 20 0 DGADLN CCC[C@H](CC)NC(=O)C1=NN(c2ccccc2CC)CC1=O ZINC001584138933 1192180345 /nfs/dbraw/zinc/18/03/45/1192180345.db2.gz JTTGAGDZJDFLBP-AWEZNQCLSA-N 0 2 315.417 3.449 20 0 DGADLN C[C@@H](C(=O)Nc1nccc(Br)c1O)C(C)(C)C ZINC001586414697 1192329746 /nfs/dbraw/zinc/32/97/46/1192329746.db2.gz CQJRTCVDKRORKD-ZETCQYMHSA-N 0 2 301.184 3.170 20 0 DGADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1cnc2n1CCC2 ZINC001596292584 1192688598 /nfs/dbraw/zinc/68/85/98/1192688598.db2.gz LUQSMFBLMDLVOB-UHFFFAOYSA-N 0 2 312.156 3.094 20 0 DGADLN Cc1cnc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c(O)c1 ZINC001596292862 1192688711 /nfs/dbraw/zinc/68/87/11/1192688711.db2.gz ONQLDGVBHCIPRA-UHFFFAOYSA-N 0 2 313.140 3.360 20 0 DGADLN Cc1ccc2c(n1)N(C(=O)c1cccc(Cl)c1O)CCC2 ZINC001597007281 1192715725 /nfs/dbraw/zinc/71/57/25/1192715725.db2.gz LYFQZTLJRSIEQI-UHFFFAOYSA-N 0 2 302.761 3.342 20 0 DGADLN Cc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2O)n[nH]1 ZINC001597898489 1192753997 /nfs/dbraw/zinc/75/39/97/1192753997.db2.gz CPAVNJQUPJSFKY-CQSZACIVSA-N 0 2 321.327 3.069 20 0 DGADLN CCn1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C)n1 ZINC001598211204 1192766259 /nfs/dbraw/zinc/76/62/59/1192766259.db2.gz ZMSOHXHVCXUMQL-UHFFFAOYSA-N 0 2 314.172 3.476 20 0 DGADLN Cc1c(C(=O)[O-])cc(CNc2c[nH+]ccc2OC(C)(C)C)n1C ZINC001599998476 1192781708 /nfs/dbraw/zinc/78/17/08/1192781708.db2.gz SKJYHTOBDNHDLJ-UHFFFAOYSA-N 0 2 317.389 3.216 20 0 DGADLN Cc1cc(C)c(NC(=O)NC2(CC(=O)[O-])CCCCC2)c(C)[nH+]1 ZINC001600163804 1192798099 /nfs/dbraw/zinc/79/80/99/1192798099.db2.gz YLTYTNVXGYSQBU-UHFFFAOYSA-N 0 2 319.405 3.306 20 0 DGADLN Cc1cc(C[NH2+][C@@H]2COc3c2cccc3Cl)oc1C(=O)[O-] ZINC001600206298 1192807082 /nfs/dbraw/zinc/80/70/82/1192807082.db2.gz QMHNDXLRSNMYJQ-GFCCVEGCSA-N 0 2 307.733 3.163 20 0 DGADLN Cc1cc(CNc2ccc(N3CCCCC3)[nH+]c2)[nH]c1C(=O)[O-] ZINC001600211633 1192809970 /nfs/dbraw/zinc/80/99/70/1192809970.db2.gz RURKMRPAXWBGHS-UHFFFAOYSA-N 0 2 314.389 3.019 20 0 DGADLN Cc1cc(CNc2cc(C)[nH+]c(C3CCC3)n2)oc1C(=O)[O-] ZINC001600282111 1192827408 /nfs/dbraw/zinc/82/74/08/1192827408.db2.gz CGIDFAGBTVWOTO-UHFFFAOYSA-N 0 2 301.346 3.264 20 0 DGADLN Cc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)c(Cl)n1 ZINC001600418641 1192849593 /nfs/dbraw/zinc/84/95/93/1192849593.db2.gz CQPUDUMIFOAKRQ-MRVPVSSYSA-N 0 2 311.794 3.049 20 0 DGADLN Cc1ccc(N2CCC[C@H](C(F)(F)F)[C@@H]2C)[nH+]c1C(=O)[O-] ZINC001600435028 1192853930 /nfs/dbraw/zinc/85/39/30/1192853930.db2.gz QHGPNQRKCSPITL-UWVGGRQHSA-N 0 2 302.296 3.255 20 0 DGADLN Cc1ccc2[nH]c3c(c2c1)CN(c1cc(CC(=O)[O-])cc[nH+]1)CC3 ZINC001600489367 1192860663 /nfs/dbraw/zinc/86/06/63/1192860663.db2.gz VGOIOFVNXFTPMO-UHFFFAOYSA-N 0 2 321.380 3.061 20 0 DGADLN Cc1ccc2sc(C[N@H+]3CC[C@@H](C)C[C@@H]3C(=O)[O-])nc2c1 ZINC001600505245 1192864232 /nfs/dbraw/zinc/86/42/32/1192864232.db2.gz GQMFDZBAAFUSNL-DGCLKSJQSA-N 0 2 304.415 3.290 20 0 DGADLN Cc1ccc2sc(C[N@@H+]3CC[C@@H](C)C[C@@H]3C(=O)[O-])nc2c1 ZINC001600505245 1192864238 /nfs/dbraw/zinc/86/42/38/1192864238.db2.gz GQMFDZBAAFUSNL-DGCLKSJQSA-N 0 2 304.415 3.290 20 0 DGADLN Cc1ccccc1[C@@H]([NH2+][C@H]1COc2ccc(Cl)cc21)C(=O)[O-] ZINC001600572297 1192876968 /nfs/dbraw/zinc/87/69/68/1192876968.db2.gz ILZCKRIOEHZYNV-GOEBONIOSA-N 0 2 317.772 3.497 20 0 DGADLN CC(C)c1oncc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001332258986 1178406554 /nfs/dbraw/zinc/40/65/54/1178406554.db2.gz TUASZNJOVVNVIY-UHFFFAOYSA-N 0 2 320.414 3.478 20 0 DGADLN CC(C)Oc1ccc(S(=O)(=O)Nc2c[nH]nc2C(C)C)cc1 ZINC001332278873 1178410831 /nfs/dbraw/zinc/41/08/31/1178410831.db2.gz RYNHZFSNQCVBRJ-UHFFFAOYSA-N 0 2 323.418 3.121 20 0 DGADLN CCCN(Cc1cnc(C)o1)Cc1nc(=O)c2sccc2[nH]1 ZINC001332558924 1178462928 /nfs/dbraw/zinc/46/29/28/1178462928.db2.gz FXWHIWJISKZIHD-UHFFFAOYSA-N 0 2 318.402 3.106 20 0 DGADLN Cc1[nH]c([C@H]2CCCN2c2ncc(C(=O)[O-])cc2Cl)[nH+]c1C ZINC001600695963 1192893870 /nfs/dbraw/zinc/89/38/70/1192893870.db2.gz XECQEMRNNHWKGG-GFCCVEGCSA-N 0 2 320.780 3.115 20 0 DGADLN Cc1[nH+]c(C(=O)[O-])cn1CC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001600685670 1192892110 /nfs/dbraw/zinc/89/21/10/1192892110.db2.gz WZGJJVVMUUCICZ-UHFFFAOYSA-N 0 2 316.401 3.065 20 0 DGADLN Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)[O-])s2)[nH]c1C ZINC001600694273 1192893157 /nfs/dbraw/zinc/89/31/57/1192893157.db2.gz ASWKBYDBVMMNIP-LBPRGKRZSA-N 0 2 305.403 3.123 20 0 DGADLN Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])s2)[nH]c1C ZINC001600694273 1192893161 /nfs/dbraw/zinc/89/31/61/1192893161.db2.gz ASWKBYDBVMMNIP-LBPRGKRZSA-N 0 2 305.403 3.123 20 0 DGADLN COc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001333645103 1178645345 /nfs/dbraw/zinc/64/53/45/1178645345.db2.gz CQETTZCMSLPELK-AWEZNQCLSA-N 0 2 301.390 3.068 20 0 DGADLN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1c1ncccn1 ZINC001600867332 1192906521 /nfs/dbraw/zinc/90/65/21/1192906521.db2.gz IHPKEVNYNYBGFW-CYBMUJFWSA-N 0 2 317.414 3.272 20 0 DGADLN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCCC[C@@H]1c1ncccn1 ZINC001600867332 1192906522 /nfs/dbraw/zinc/90/65/22/1192906522.db2.gz IHPKEVNYNYBGFW-CYBMUJFWSA-N 0 2 317.414 3.272 20 0 DGADLN CC(C)c1n[nH]cc1NS(=O)(=O)c1ccc(C(F)F)cc1 ZINC001335837949 1178963048 /nfs/dbraw/zinc/96/30/48/1178963048.db2.gz NOTQCLDUCLVBSS-UHFFFAOYSA-N 0 2 315.345 3.272 20 0 DGADLN O=C([O-])[C@H]([NH2+]Cc1cc2c(ccnc2Cl)o1)c1cccs1 ZINC001601673892 1192937927 /nfs/dbraw/zinc/93/79/27/1192937927.db2.gz FDDRNZMITDMDQF-GFCCVEGCSA-N 0 2 322.773 3.458 20 0 DGADLN O=C(NC[C@@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1O ZINC001344410779 1179428302 /nfs/dbraw/zinc/42/83/02/1179428302.db2.gz AKRZNIHZVHVGEO-LLVKDONJSA-N 0 2 309.793 3.125 20 0 DGADLN O=C([O-])Cc1cc[nH+]c(NCc2cccc(C(F)(F)F)c2)c1 ZINC001602148900 1192960631 /nfs/dbraw/zinc/96/06/31/1192960631.db2.gz AFTIODGGHBWWSH-UHFFFAOYSA-N 0 2 310.275 3.340 20 0 DGADLN O=C([O-])c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1Cl ZINC001602350001 1192972410 /nfs/dbraw/zinc/97/24/10/1192972410.db2.gz WXIKAIIRPBUKCY-UHFFFAOYSA-N 0 2 317.197 3.438 20 0 DGADLN O=C([O-])c1ccc2c(c1)CC[N@@H+](Cc1cc(O)ccc1Cl)C2 ZINC001602418109 1192978052 /nfs/dbraw/zinc/97/80/52/1192978052.db2.gz KMYRSFBBSZFWME-UHFFFAOYSA-N 0 2 317.772 3.302 20 0 DGADLN O=C([O-])c1ccc2c(c1)CC[N@H+](Cc1cc(O)ccc1Cl)C2 ZINC001602418109 1192978054 /nfs/dbraw/zinc/97/80/54/1192978054.db2.gz KMYRSFBBSZFWME-UHFFFAOYSA-N 0 2 317.772 3.302 20 0 DGADLN O=C([O-])c1cccc(C[NH+]2CC3(C2)CC(F)(F)C3)c1Cl ZINC001602436730 1192979533 /nfs/dbraw/zinc/97/95/33/1192979533.db2.gz KCMZJBUSUOVOEX-UHFFFAOYSA-N 0 2 301.720 3.269 20 0 DGADLN O=C([O-])/C(=C/c1ccc(C2CCC2)cc1)C[NH+]1CCC(=O)CC1 ZINC001602646597 1192993941 /nfs/dbraw/zinc/99/39/41/1192993941.db2.gz LQHBNTMJVVKIAN-SFQUDFHCSA-N 0 2 313.397 3.087 20 0 DGADLN Cc1[nH]nc(NC(=O)c2cccc(C(F)(F)F)c2O)c1Cl ZINC001300105015 1180392152 /nfs/dbraw/zinc/39/21/52/1180392152.db2.gz AHZOJQMJCUUGCD-UHFFFAOYSA-N 0 2 319.670 3.348 20 0 DGADLN COc1cc(S(=O)(=O)Nc2cccc3ccoc32)ccc1F ZINC001200550722 1180714396 /nfs/dbraw/zinc/71/43/96/1180714396.db2.gz DKWGOPMCJZCRKF-UHFFFAOYSA-N 0 2 321.329 3.381 20 0 DGADLN C[C@@H]([NH2+][C@H](C)c1ccncc1Cl)c1ncc(C(=O)[O-])s1 ZINC001604321710 1193064923 /nfs/dbraw/zinc/06/49/23/1193064923.db2.gz GXNLVYGNLZGLRX-HTQZYQBOSA-N 0 2 311.794 3.302 20 0 DGADLN CC[C@H](C)C[C@H](Nc1nc2ccccc2n2c[nH+]cc12)C(=O)[O-] ZINC001604954557 1193102058 /nfs/dbraw/zinc/10/20/58/1193102058.db2.gz KHCJZNLGEDDDON-AAEUAGOBSA-N 0 2 312.373 3.184 20 0 DGADLN CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C(=O)[O-])c(F)c2)[nH]1 ZINC001604977924 1193103324 /nfs/dbraw/zinc/10/33/24/1193103324.db2.gz VIWNZFBIPQNTSY-VHSXEESVSA-N 0 2 320.368 3.006 20 0 DGADLN O=c1[nH]nc(CSc2ccc(Br)c(Cl)c2)[nH]1 ZINC001365259978 1181684162 /nfs/dbraw/zinc/68/41/62/1181684162.db2.gz POWJADPQHICWED-UHFFFAOYSA-N 0 2 320.599 3.219 20 0 DGADLN C=C/C=C/CC(=O)N(CCC)Cc1nc(=O)c2sccc2[nH]1 ZINC001440303374 1182035886 /nfs/dbraw/zinc/03/58/86/1182035886.db2.gz GDKQKIMCYXQXAY-AATRIKPKSA-N 0 2 317.414 3.268 20 0 DGADLN O=C(N[C@@H]1CC=CCC1)c1cc(Br)c(F)cc1O ZINC001444355979 1182120919 /nfs/dbraw/zinc/12/09/19/1182120919.db2.gz UKEVGTLFYQZVFB-MRVPVSSYSA-N 0 2 314.154 3.132 20 0 DGADLN CCC1(CNC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC001445153703 1182138494 /nfs/dbraw/zinc/13/84/94/1182138494.db2.gz LYPOKXWLCWPEHP-UHFFFAOYSA-N 0 2 316.170 3.214 20 0 DGADLN CCCn1cncc1C[NH2+][C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001605388594 1193146190 /nfs/dbraw/zinc/14/61/90/1193146190.db2.gz 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NEJDOVKQRQINJI-UHFFFAOYSA-N 0 2 312.325 3.455 20 0 DGADLN C[N@H+](CC(=O)[O-])CC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC001598411870 991734147 /nfs/dbraw/zinc/73/41/47/991734147.db2.gz BDIQIABLWWKBEH-UHFFFAOYSA-N 0 2 322.364 3.034 20 0 DGADLN C[N@@H+](CC(=O)[O-])CC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC001598411870 991734157 /nfs/dbraw/zinc/73/41/57/991734157.db2.gz BDIQIABLWWKBEH-UHFFFAOYSA-N 0 2 322.364 3.034 20 0 DGADLN C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccccc1C(=O)[O-] ZINC001598531580 992787637 /nfs/dbraw/zinc/78/76/37/992787637.db2.gz CEASCYTVYAILFV-UHFFFAOYSA-N 0 2 321.380 3.203 20 0 DGADLN C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccccc1C(=O)[O-] ZINC001598531580 992787642 /nfs/dbraw/zinc/78/76/42/992787642.db2.gz CEASCYTVYAILFV-UHFFFAOYSA-N 0 2 321.380 3.203 20 0 DGADLN C[N@H+](Cc1ccco1)Cc1c(Br)cccc1C(=O)[O-] ZINC001598532069 992793399 /nfs/dbraw/zinc/79/33/99/992793399.db2.gz MSZSUBMKRPZZDJ-UHFFFAOYSA-N 0 2 324.174 3.372 20 0 DGADLN C[N@@H+](Cc1ccco1)Cc1c(Br)cccc1C(=O)[O-] ZINC001598532069 992793404 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DGADLN Cc1cccc(Cl)c1C[N@@H+](C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001600534943 1192869841 /nfs/dbraw/zinc/86/98/41/1192869841.db2.gz ABWWZBBKLXUNGG-HNNXBMFYSA-N 0 2 311.809 3.103 20 0 DGADLN Cc1cccc(Cl)c1C[N@H+](C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001600534943 1192869849 /nfs/dbraw/zinc/86/98/49/1192869849.db2.gz ABWWZBBKLXUNGG-HNNXBMFYSA-N 0 2 311.809 3.103 20 0 DGADLN O=C(Nc1nccc(Br)c1O)[C@H]1CCC[C@@H](F)C1 ZINC001332260405 1178406907 /nfs/dbraw/zinc/40/69/07/1178406907.db2.gz UESOPRCXNYPQLV-JGVFFNPUSA-N 0 2 317.158 3.017 20 0 DGADLN CC(C)c1n[nH]cc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC001332276184 1178410759 /nfs/dbraw/zinc/41/07/59/1178410759.db2.gz FLLIFOYRXLJXGQ-UHFFFAOYSA-N 0 2 307.419 3.457 20 0 DGADLN Cn1c[nH+]cc1CNc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001600994180 1192913960 /nfs/dbraw/zinc/91/39/60/1192913960.db2.gz GUFDVYBLMVQGOJ-UHFFFAOYSA-N 0 2 300.145 3.037 20 0 DGADLN O=C([O-])[C@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)c1cccs1 ZINC001601673622 1192937936 /nfs/dbraw/zinc/93/79/36/1192937936.db2.gz 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ZINC001603950450 1193040201 /nfs/dbraw/zinc/04/02/01/1193040201.db2.gz GVBIXZKOGIIYHP-UHFFFAOYSA-N 0 2 300.358 3.108 20 0 DGADLN CC(C)n1ccc(C[NH2+]Cc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001604036831 1193045295 /nfs/dbraw/zinc/04/52/95/1193045295.db2.gz YUUGACZCYLSDEW-UHFFFAOYSA-N 0 2 307.781 3.105 20 0 DGADLN C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1cncc(C(=O)[O-])c1 ZINC001604361095 1193068685 /nfs/dbraw/zinc/06/86/85/1193068685.db2.gz BAHQWELKPBMSCN-LBPRGKRZSA-N 0 2 311.385 3.335 20 0 DGADLN C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1cncc(C(=O)[O-])c1 ZINC001604361095 1193068690 /nfs/dbraw/zinc/06/86/90/1193068690.db2.gz BAHQWELKPBMSCN-LBPRGKRZSA-N 0 2 311.385 3.335 20 0 DGADLN CC[C@@H]([NH2+]Cc1ncc(C(=O)[O-])s1)c1cc(F)ccc1OC ZINC001605100759 1193114009 /nfs/dbraw/zinc/11/40/09/1193114009.db2.gz VZYFDWXLDQROJJ-LLVKDONJSA-N 0 2 324.377 3.230 20 0 DGADLN COCc1csc(CNC(=O)c2cccc(Cl)c2O)c1 ZINC001437779596 1181945994 /nfs/dbraw/zinc/94/59/94/1181945994.db2.gz YOZRFHPGUGTYLY-UHFFFAOYSA-N 0 2 311.790 3.184 20 0 DGADLN O=C(NCc1nc(-c2ccccc2)cs1)[C@@H](F)C(F)(F)F ZINC001441711930 1182068079 /nfs/dbraw/zinc/06/80/79/1182068079.db2.gz MLKDKOMTMPEREA-LLVKDONJSA-N 0 2 318.295 3.327 20 0 DGADLN O=C(NCc1nc(-c2ccccc2)cs1)C(F)C(F)(F)F ZINC001441711930 1182068071 /nfs/dbraw/zinc/06/80/71/1182068071.db2.gz MLKDKOMTMPEREA-LLVKDONJSA-N 0 2 318.295 3.327 20 0 DGADLN CC(=O)c1ccc(O)c(NC(=O)c2ccc(C(C)=O)c(C)c2)c1 ZINC001447022204 1182181789 /nfs/dbraw/zinc/18/17/89/1182181789.db2.gz MISLTQDHCYBOEZ-UHFFFAOYSA-N 0 2 311.337 3.358 20 0 DGADLN C[C@@H](CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1)n1cc[nH+]c1 ZINC001447105953 1182183796 /nfs/dbraw/zinc/18/37/96/1182183796.db2.gz BDYBUKWXGQREFZ-QMMMGPOBSA-N 0 2 314.172 3.485 20 0 DGADLN O=C(Nc1cc(C(F)(F)F)ccn1)c1cc(F)cc(F)c1O ZINC001457749034 1182479956 /nfs/dbraw/zinc/47/99/56/1182479956.db2.gz XJZSSXGQOKWMBL-UHFFFAOYSA-N 0 2 318.201 3.337 20 0 DGADLN O=C(NC[C@H]1C[C@H]1Cc1ccccc1)c1c(O)cc(F)cc1F ZINC001458046196 1182492350 /nfs/dbraw/zinc/49/23/50/1182492350.db2.gz 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/nfs/dbraw/zinc/28/07/82/1094280782.db2.gz GCQXWMAMCMZNPH-UHFFFAOYSA-N 0 2 314.251 3.035 20 0 DGADLN Cc1cc(-c2noc(-c3ccc(O)c(F)c3F)n2)cc(C)n1 ZINC001216932070 1094280961 /nfs/dbraw/zinc/28/09/61/1094280961.db2.gz KJTOFSSQNXFDQE-UHFFFAOYSA-N 0 2 303.268 3.399 20 0 DGADLN Cc1cc(C)c(-c2noc(-c3cc(F)c(O)cc3F)n2)cn1 ZINC001216932666 1094280989 /nfs/dbraw/zinc/28/09/89/1094280989.db2.gz DVRNVZLSXGSWNR-UHFFFAOYSA-N 0 2 303.268 3.399 20 0 DGADLN Oc1c(F)cc(-c2nc(-c3cccc4ccnn43)no2)cc1F ZINC001217032104 1094294845 /nfs/dbraw/zinc/29/48/45/1094294845.db2.gz JTQZRGOBXXRIKC-UHFFFAOYSA-N 0 2 314.251 3.035 20 0 DGADLN COc1ccc2c(=O)cc(-c3nc(-c4ccccc4)no3)[nH]c2c1 ZINC001217463562 1094416668 /nfs/dbraw/zinc/41/66/68/1094416668.db2.gz UTJOSBCHVKQJJL-UHFFFAOYSA-N 0 2 319.320 3.254 20 0 DGADLN COc1cc(F)cc(NS(=O)(=O)c2cccc(C)c2F)c1 ZINC000313218538 1094999082 /nfs/dbraw/zinc/99/90/82/1094999082.db2.gz JCFRMCRHRIWDPC-UHFFFAOYSA-N 0 2 313.325 3.083 20 0 DGADLN Cc1cc(N[C@@H](CC2CCOCC2)C(=O)[O-])[nH+]c2ccccc12 ZINC001337986303 1095155285 /nfs/dbraw/zinc/15/52/85/1095155285.db2.gz DBLOUZSYKGIZMN-INIZCTEOSA-N 0 2 314.385 3.225 20 0 DGADLN C[N@H+](Cc1n[nH]c2ccc(F)cc21)C[C@@H]1Cc2ccccc2O1 ZINC001144205964 1095563144 /nfs/dbraw/zinc/56/31/44/1095563144.db2.gz SILIAGDZPSPXAN-AWEZNQCLSA-N 0 2 311.360 3.138 20 0 DGADLN [S-]c1cc(S)cc(-c2cnn(CC[NH+]3CCCC3)c2)c1 ZINC001222493987 1095639022 /nfs/dbraw/zinc/63/90/22/1095639022.db2.gz WKSOPNPGADFSNT-UHFFFAOYSA-N 0 2 305.472 3.223 20 0 DGADLN Oc1cc(F)c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1F ZINC001144667599 1095756117 /nfs/dbraw/zinc/75/61/17/1095756117.db2.gz WOKLBZXXOJLZTC-AWEZNQCLSA-N 0 2 305.324 3.324 20 0 DGADLN Oc1cc(F)c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1F ZINC001144667601 1095757003 /nfs/dbraw/zinc/75/70/03/1095757003.db2.gz WOKLBZXXOJLZTC-CQSZACIVSA-N 0 2 305.324 3.324 20 0 DGADLN CC(C)c1ccc(S(=O)(=O)Nc2cc(C3CC3)nn2C)cc1 ZINC001117759134 1095838914 /nfs/dbraw/zinc/83/89/14/1095838914.db2.gz ZITGLCDTVUIODW-UHFFFAOYSA-N 0 2 319.430 3.222 20 0 DGADLN C[C@H]1c2cccn2CC[N@H+]1Cc1cn(CC(=O)[O-])c2ccccc12 ZINC001138196173 1095921753 /nfs/dbraw/zinc/92/17/53/1095921753.db2.gz VWYNNRDBEJKTNF-AWEZNQCLSA-N 0 2 323.396 3.104 20 0 DGADLN C[C@H]1c2cccn2CC[N@@H+]1Cc1cn(CC(=O)[O-])c2ccccc12 ZINC001138196173 1095921760 /nfs/dbraw/zinc/92/17/60/1095921760.db2.gz VWYNNRDBEJKTNF-AWEZNQCLSA-N 0 2 323.396 3.104 20 0 DGADLN COC(=O)C1CCC(Oc2c(F)c(F)c(O)c(F)c2F)CC1 ZINC001225879469 1096552609 /nfs/dbraw/zinc/55/26/09/1096552609.db2.gz JFHJQLQAIJJAOO-UHFFFAOYSA-N 0 2 322.254 3.059 20 0 DGADLN CC(C)[C@H](Oc1nc(C(F)(F)F)cc(=O)[nH]1)C(F)(F)F ZINC001225979086 1096579247 /nfs/dbraw/zinc/57/92/47/1096579247.db2.gz ARKDARSFGIUBGQ-ZETCQYMHSA-N 0 2 304.190 3.167 20 0 DGADLN Cc1nc(O[C@@H](c2ccccc2)C(F)(F)F)c(F)c(=O)[nH]1 ZINC001226418876 1096686666 /nfs/dbraw/zinc/68/66/66/1096686666.db2.gz DQBQQJYWQRTVJS-JTQLQIEISA-N 0 2 302.227 3.312 20 0 DGADLN CC[C@@H](Oc1nc2nc[nH]c2c(=S)[nH]1)c1ccccc1F ZINC001226784471 1096776174 /nfs/dbraw/zinc/77/61/74/1096776174.db2.gz GIFGGTCCEAEVJM-SNVBAGLBSA-N 0 2 304.350 3.311 20 0 DGADLN CC(C)C[C@@H](Cc1ccccc1)Oc1[nH]c(=O)nc2nccnc21 ZINC001226990325 1096838699 /nfs/dbraw/zinc/83/86/99/1096838699.db2.gz VCRHHFGSLDUZQV-AWEZNQCLSA-N 0 2 324.384 3.162 20 0 DGADLN C[C@H](Oc1[nH]c(=O)nc2nc[nH]c21)c1ccc2ccccc2c1 ZINC001227065345 1096859320 /nfs/dbraw/zinc/85/93/20/1096859320.db2.gz UEJUEPXOIPAMII-JTQLQIEISA-N 0 2 306.325 3.352 20 0 DGADLN CCCCC(=O)[C@H](CCCC)Oc1[nH]c(=O)nc2ncsc21 ZINC001227609586 1096960143 /nfs/dbraw/zinc/96/01/43/1096960143.db2.gz HSXBGYXISXCKFD-NSHDSACASA-N 0 2 323.418 3.489 20 0 DGADLN C[C@@H](CCc1ccccc1)Oc1[nH]c(=O)nc2ncsc21 ZINC001227612686 1096960617 /nfs/dbraw/zinc/96/06/17/1096960617.db2.gz ZFEUSDHGXAPDDZ-JTQLQIEISA-N 0 2 301.371 3.192 20 0 DGADLN COc1ccc([C@@H](C)Oc2[nH]c(=O)nc3ncsc32)c(F)c1 ZINC001227609090 1096960694 /nfs/dbraw/zinc/96/06/94/1096960694.db2.gz FERKHSQVCIXMHP-SSDOTTSWSA-N 0 2 321.333 3.080 20 0 DGADLN Cc1ccc(C)c2c1CCC[C@@H]2Oc1[nH]c(=O)nc2ncn(C)c21 ZINC001228673908 1097164191 /nfs/dbraw/zinc/16/41/91/1097164191.db2.gz JPHJBWYRAZUKQO-ZDUSSCGKSA-N 0 2 324.384 3.142 20 0 DGADLN Cc1cc(-c2noc(-c3ncc(C(F)(F)F)[nH]3)n2)cc(C)n1 ZINC001212689587 1097277415 /nfs/dbraw/zinc/27/74/15/1097277415.db2.gz JZDVZNJVNDKVFN-UHFFFAOYSA-N 0 2 309.251 3.157 20 0 DGADLN C[C@H]1CC[C@@H](COc2[nH]c(=O)nc3c4ccccc4oc32)O1 ZINC001230666664 1097549832 /nfs/dbraw/zinc/54/98/32/1097549832.db2.gz NSSCUMQBQBJQSD-UWVGGRQHSA-N 0 2 300.314 3.028 20 0 DGADLN Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC001175319395 1098011587 /nfs/dbraw/zinc/01/15/87/1098011587.db2.gz WSWPRFMKGDARQR-UHFFFAOYSA-N 0 2 301.733 3.268 20 0 DGADLN CCCC(=O)[C@H](CCC)Oc1cc(O)cc2occc(=O)c12 ZINC001233827232 1098438441 /nfs/dbraw/zinc/43/84/41/1098438441.db2.gz OCPHDEMPMYFCLN-AWEZNQCLSA-N 0 2 304.342 3.415 20 0 DGADLN CC[C@@H](NC(=O)c1cccc(Cl)c1O)[C@@H](O)c1ccccc1 ZINC001177252551 1098502831 /nfs/dbraw/zinc/50/28/31/1098502831.db2.gz QHHGJMTZUVOMIX-CABCVRRESA-N 0 2 319.788 3.288 20 0 DGADLN COC1CCC(Oc2cc(O)cc3oc(C)cc(=O)c23)CC1 ZINC001234815072 1098668956 /nfs/dbraw/zinc/66/89/56/1098668956.db2.gz RVPTWWHXUXREQE-UHFFFAOYSA-N 0 2 304.342 3.143 20 0 DGADLN O=C(N[C@H]1CCCc2cccnc21)C(F)(F)C(F)(F)Cl ZINC001179779755 1099194930 /nfs/dbraw/zinc/19/49/30/1099194930.db2.gz JHNWKUWRIJTMNK-QMMMGPOBSA-N 0 2 310.678 3.042 20 0 DGADLN CC(C)(C)Cc1cc(NC(=O)c2ncc(C(F)(F)F)[nH]2)on1 ZINC001188277103 1099735382 /nfs/dbraw/zinc/73/53/82/1099735382.db2.gz BADGEGVTVUYBFB-UHFFFAOYSA-N 0 2 316.283 3.257 20 0 DGADLN Cc1cccc(C(F)(F)F)c1NS(=O)(=O)c1ccoc1 ZINC001188608234 1099792368 /nfs/dbraw/zinc/79/23/68/1099792368.db2.gz YKCQGTVOAVKGAS-UHFFFAOYSA-N 0 2 305.277 3.408 20 0 DGADLN Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC001236913266 1099873322 /nfs/dbraw/zinc/87/33/22/1099873322.db2.gz JTYUNYSVHNEXMP-KRWDZBQOSA-N 0 2 317.820 3.138 20 0 DGADLN C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H](C)[N@H+]1C ZINC001236914541 1099875015 /nfs/dbraw/zinc/87/50/15/1099875015.db2.gz QXYLWVFBOXFWJV-OKILXGFUSA-N 0 2 318.852 3.050 20 0 DGADLN O=S(=O)(Cc1ccc(F)c(F)c1)Nc1cccc2cnoc21 ZINC001189316071 1100021014 /nfs/dbraw/zinc/02/10/14/1100021014.db2.gz IETFENZTMWCHOP-UHFFFAOYSA-N 0 2 324.308 3.048 20 0 DGADLN O=S(=O)(Nc1ccccn1)c1cc(F)cc(C(F)(F)F)c1 ZINC001189947818 1100168102 /nfs/dbraw/zinc/16/81/02/1100168102.db2.gz FISMDXKSCABAHQ-UHFFFAOYSA-N 0 2 320.267 3.040 20 0 DGADLN O=C([O-])c1cc(F)ccc1C[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC001238245283 1100402927 /nfs/dbraw/zinc/40/29/27/1100402927.db2.gz RWOWABPSIHYYCH-UHFFFAOYSA-N 0 2 321.298 3.360 20 0 DGADLN O=C([O-])c1cc(F)ccc1C[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001238245283 1100402930 /nfs/dbraw/zinc/40/29/30/1100402930.db2.gz RWOWABPSIHYYCH-UHFFFAOYSA-N 0 2 321.298 3.360 20 0 DGADLN CCCCc1ccc(S(=O)(=O)Nc2cnc(CC)cn2)cc1 ZINC001191233814 1100436223 /nfs/dbraw/zinc/43/62/23/1100436223.db2.gz SNHYHACKKLDSGZ-UHFFFAOYSA-N 0 2 319.430 3.182 20 0 DGADLN O=S(=O)(CC1CCCC1)Nc1c(O)cccc1C(F)(F)F ZINC001191529808 1100480205 /nfs/dbraw/zinc/48/02/05/1100480205.db2.gz KQWUZRIYXPWQIY-UHFFFAOYSA-N 0 2 323.336 3.343 20 0 DGADLN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cncc(F)c1 ZINC001191663719 1100499417 /nfs/dbraw/zinc/49/94/17/1100499417.db2.gz WJYNLCDOQRLSBR-UHFFFAOYSA-N 0 2 324.377 3.154 20 0 DGADLN Cc1c(Cl)ccc(S(=O)(=O)Nc2ncco2)c1Cl ZINC001191728926 1100503620 /nfs/dbraw/zinc/50/36/20/1100503620.db2.gz OGRCHLNUYXFSSC-UHFFFAOYSA-N 0 2 307.158 3.091 20 0 DGADLN CCOc1ccc(C)cc1S(=O)(=O)Nc1c(C)ccnc1C ZINC001191787531 1100521581 /nfs/dbraw/zinc/52/15/81/1100521581.db2.gz LMRPZTZKWFIABL-UHFFFAOYSA-N 0 2 320.414 3.206 20 0 DGADLN COC(=O)c1nc2ccc(-c3cc4ccccc4[nH]c3=O)cc2[nH]1 ZINC001238881183 1100550438 /nfs/dbraw/zinc/55/04/38/1100550438.db2.gz GNDJMZWCOZTXCG-UHFFFAOYSA-N 0 2 319.320 3.270 20 0 DGADLN Cc1cc(Cl)ncc1S(=O)(=O)Nc1cccnc1C1CC1 ZINC001192321082 1100603456 /nfs/dbraw/zinc/60/34/56/1100603456.db2.gz HQVZFIBJGPNTCA-UHFFFAOYSA-N 0 2 323.805 3.117 20 0 DGADLN O=C(c1c(F)ccc(F)c1O)N1CCC[C@@H]1c1nccs1 ZINC001192702417 1100653648 /nfs/dbraw/zinc/65/36/48/1100653648.db2.gz FIALMPBIDCQBEZ-SNVBAGLBSA-N 0 2 310.325 3.104 20 0 DGADLN Cc1cccc(C2(NC(=O)c3c(F)ccc(F)c3O)CC2)c1 ZINC001192717978 1100657845 /nfs/dbraw/zinc/65/78/45/1100657845.db2.gz NASMFDXIKWCVKD-UHFFFAOYSA-N 0 2 303.308 3.398 20 0 DGADLN CC(C)(CNC(=O)c1ccc(F)c(F)c1O)c1ccccc1 ZINC001192811261 1100665151 /nfs/dbraw/zinc/66/51/51/1100665151.db2.gz OLYMQMOXNFHBFD-UHFFFAOYSA-N 0 2 305.324 3.378 20 0 DGADLN CC(C)(CNC(=O)c1ccc(F)c(F)c1O)CC(F)(F)F ZINC001192818108 1100665869 /nfs/dbraw/zinc/66/58/69/1100665869.db2.gz LUOAQMGKOJYWCM-UHFFFAOYSA-N 0 2 311.250 3.379 20 0 DGADLN O=C(c1cc(F)c(O)cc1F)N1CCC[C@@H]1c1nccs1 ZINC001192866298 1100668093 /nfs/dbraw/zinc/66/80/93/1100668093.db2.gz CUUJPBOGDFFOFB-LLVKDONJSA-N 0 2 310.325 3.104 20 0 DGADLN Cn1ccc2cc(NC(=O)c3cc(F)c(O)cc3F)ccc21 ZINC001192872542 1100668980 /nfs/dbraw/zinc/66/89/80/1100668980.db2.gz NVJPIJLDIONVML-UHFFFAOYSA-N 0 2 302.280 3.414 20 0 DGADLN C[C@@H]1c2ccccc2CCN1C(=O)c1cc(F)c(O)cc1F ZINC001192853387 1100672101 /nfs/dbraw/zinc/67/21/01/1100672101.db2.gz RFYDWYQMRQHWDQ-SNVBAGLBSA-N 0 2 303.308 3.430 20 0 DGADLN O=C(Nc1cnc2ccc(O)cc2c1)c1cc(F)c(O)cc1F ZINC001192853797 1100672395 /nfs/dbraw/zinc/67/23/95/1100672395.db2.gz UOAFBDJHXSZJTL-UHFFFAOYSA-N 0 2 316.263 3.177 20 0 DGADLN O=C(NC[C@@H]1CCc2ccccc21)c1cc(F)c(O)cc1F ZINC001192888532 1100674508 /nfs/dbraw/zinc/67/45/08/1100674508.db2.gz WJQZKRRLTFAHIS-NSHDSACASA-N 0 2 303.308 3.130 20 0 DGADLN Cc1c(NC(=O)c2cc(F)c(O)cc2F)ccc2c1OCCO2 ZINC001192879252 1100678074 /nfs/dbraw/zinc/67/80/74/1100678074.db2.gz CSMYWNRPDQZNPN-UHFFFAOYSA-N 0 2 321.279 3.002 20 0 DGADLN O=S(=O)(CC1CCC1)Nc1cc(Cl)cc(Cl)c1O ZINC001193514202 1100759229 /nfs/dbraw/zinc/75/92/29/1100759229.db2.gz OBKCQNXUIOGCCS-UHFFFAOYSA-N 0 2 310.202 3.241 20 0 DGADLN Cc1cnc(NS(=O)(=O)c2ccc(C)c3ccccc32)o1 ZINC001193824974 1100819536 /nfs/dbraw/zinc/81/95/36/1100819536.db2.gz PRXHEBXCHQAJLM-UHFFFAOYSA-N 0 2 302.355 3.245 20 0 DGADLN 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306.318 3.076 20 0 DGADLN C[C@H](CC(=O)[O-])SCc1c[nH+]c(N(C)C)c2ccccc12 ZINC001604114861 1193051567 /nfs/dbraw/zinc/05/15/67/1193051567.db2.gz JWFVLFUOPMHTAS-LLVKDONJSA-N 0 2 304.415 3.397 20 0 DGADLN Cc1cc(NS(=O)(=O)c2cccc(C)c2F)n(C2CCC2)n1 ZINC001200675614 1180806528 /nfs/dbraw/zinc/80/65/28/1180806528.db2.gz DUVIUAYSVLOZNB-UHFFFAOYSA-N 0 2 323.393 3.165 20 0 DGADLN Cc1cccc(S(=O)(=O)Nc2ccccc2C(C)(C)O)c1F ZINC001200798793 1180917787 /nfs/dbraw/zinc/91/77/87/1180917787.db2.gz MKHNFGKKDQENFU-UHFFFAOYSA-N 0 2 323.389 3.162 20 0 DGADLN Cc1cccc(S(=O)(=O)Nc2cc(O)cc(Cl)c2)c1F ZINC001200798886 1180918041 /nfs/dbraw/zinc/91/80/41/1180918041.db2.gz QUUDXGSETFNWBK-UHFFFAOYSA-N 0 2 315.753 3.294 20 0 DGADLN C[C@@H](CNc1cc(CC(=O)[O-])cc[nH+]1)c1ccc(F)cc1F ZINC001604191551 1193060120 /nfs/dbraw/zinc/06/01/20/1193060120.db2.gz YKPOWNAIYPAXBB-JTQLQIEISA-N 0 2 306.312 3.203 20 0 DGADLN C[C@H]([NH2+]Cc1cccc(C(=O)[O-])n1)c1c(F)cccc1Cl ZINC001604346368 1193067503 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CCC/C=C\[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001545824055 1181768610 /nfs/dbraw/zinc/76/86/10/1181768610.db2.gz JWCPJSCAQBTJLZ-DOGVGXBMSA-N 0 2 304.173 3.355 20 0 DGADLN O=C(Nc1nc2cc(Cl)c(F)cc2[nH]1)c1cccc(F)c1O ZINC001437933364 1181951581 /nfs/dbraw/zinc/95/15/81/1181951581.db2.gz UPJCKCQQXWWWBO-UHFFFAOYSA-N 0 2 323.686 3.452 20 0 DGADLN O=C(Nc1n[nH]c2c1cccc2Cl)c1cc(F)cc(F)c1O ZINC001545983700 1182165079 /nfs/dbraw/zinc/16/50/79/1182165079.db2.gz QJTUVDSFBKECPC-UHFFFAOYSA-N 0 2 323.686 3.452 20 0 DGADLN O=C(N[C@@H]1C[C@]1(F)c1ccccc1)c1cc(F)c(O)c(F)c1 ZINC001451988629 1182278781 /nfs/dbraw/zinc/27/87/81/1182278781.db2.gz JFERINSQUHNRRT-CJNGLKHVSA-N 0 2 307.271 3.038 20 0 DGADLN CN(C)c1cc(F)cc(NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC001452799563 1182301360 /nfs/dbraw/zinc/30/13/60/1182301360.db2.gz WYIAVZXOOSIMSC-UHFFFAOYSA-N 0 2 310.275 3.128 20 0 DGADLN CCC(C)(C)[C@@H](C)NC(=O)C1=NN(c2ccccc2)CC1=O ZINC001453321992 1182313737 /nfs/dbraw/zinc/31/37/37/1182313737.db2.gz 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434553616 /nfs/dbraw/zinc/55/36/16/434553616.db2.gz AVXNGSHVMHCTIM-UHFFFAOYSA-N 0 2 320.201 3.134 20 0 DGADLN C[C@H](CCc1cccc(F)c1)C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000525285564 295009940 /nfs/dbraw/zinc/00/99/40/295009940.db2.gz GZSBRGFFEKOZHT-GFCCVEGCSA-N 0 2 313.376 3.122 20 0 DGADLN CCc1ccccc1CNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000525418024 295015076 /nfs/dbraw/zinc/01/50/76/295015076.db2.gz JMOURVNLBYTDTF-UHFFFAOYSA-N 0 2 318.446 3.142 20 0 DGADLN C[C@@H]1CCC[C@H](CNC(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000439088293 434562120 /nfs/dbraw/zinc/56/21/20/434562120.db2.gz GUYFFTQAIYRBCD-KGLIPLIRSA-N 0 2 313.401 3.134 20 0 DGADLN CC(C)c1ccc(C[C@@H](C)NC(=O)c2cccc3[nH]nnc32)cc1 ZINC000526120334 295059759 /nfs/dbraw/zinc/05/97/59/295059759.db2.gz JUTYYYXXBRGKQE-CYBMUJFWSA-N 0 2 322.412 3.442 20 0 DGADLN Cc1ccccc1-c1nsc(N[C@H](C)C2CCOCC2)n1 ZINC000527925342 295151194 /nfs/dbraw/zinc/15/11/94/295151194.db2.gz AHZZRXWJERTEBB-GFCCVEGCSA-N 0 2 303.431 3.162 20 0 DGADLN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1coc(S(C)(=O)=O)c1 ZINC000528399772 295208675 /nfs/dbraw/zinc/20/86/75/295208675.db2.gz JIOGUDPXEZMTIZ-CZUORRHYSA-N 0 2 319.426 3.061 20 0 DGADLN CC[C@H]1CCC[C@H](NC(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000439671366 434633923 /nfs/dbraw/zinc/63/39/23/434633923.db2.gz PNDICDNIAHKUPJ-KBPBESRZSA-N 0 2 313.401 3.277 20 0 DGADLN CC(C)(C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1)C1CC1 ZINC000354066397 434603600 /nfs/dbraw/zinc/60/36/00/434603600.db2.gz UXUCAVXSZBTLHZ-UHFFFAOYSA-N 0 2 306.316 3.125 20 0 DGADLN C[C@H](CNC(=O)C1=NN(c2ccccc2)CC1=O)c1ccccc1 ZINC000354210877 434671949 /nfs/dbraw/zinc/67/19/49/434671949.db2.gz YNLCODXCDWIJDA-CQSZACIVSA-N 0 2 321.380 3.111 20 0 DGADLN CCC(CC)(CNC(=O)Nc1c(C)cc(C)[nH+]c1C)C(=O)[O-] ZINC000424394078 434717485 /nfs/dbraw/zinc/71/74/85/434717485.db2.gz XGGUTQKGQOYZPN-UHFFFAOYSA-N 0 2 307.394 3.019 20 0 DGADLN O=C(c1cc(F)c(O)c(F)c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000371998352 434781152 /nfs/dbraw/zinc/78/11/52/434781152.db2.gz 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Cc1ccc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)cc1 ZINC000559317345 435127777 /nfs/dbraw/zinc/12/77/77/435127777.db2.gz KYKKTKQJNWOKGR-UHFFFAOYSA-N 0 2 308.341 3.046 20 0 DGADLN CC=C(C=CC(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C)CC ZINC000493295494 435144159 /nfs/dbraw/zinc/14/41/59/435144159.db2.gz PKTXVTJOYNYOKF-ZMYUOXORSA-N 0 2 312.373 3.337 20 0 DGADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc3c2CCO3)s1 ZINC000579307885 435145479 /nfs/dbraw/zinc/14/54/79/435145479.db2.gz VCNGKXOZAWRDBM-UHFFFAOYSA-N 0 2 309.412 3.101 20 0 DGADLN O=C(NCCc1cc2ccccc2s1)c1cccc2[nH]nnc21 ZINC000579875039 435187912 /nfs/dbraw/zinc/18/79/12/435187912.db2.gz NQWUCRWEWVSXIS-UHFFFAOYSA-N 0 2 322.393 3.145 20 0 DGADLN C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000532240589 435152266 /nfs/dbraw/zinc/15/22/66/435152266.db2.gz DIBVWGLCUZPKFK-WBVHZDCISA-N 0 2 300.446 3.364 20 0 DGADLN C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1oncc1C(=O)[O-] ZINC000579484823 435157413 /nfs/dbraw/zinc/15/74/13/435157413.db2.gz XRGSXQLPLSBBAV-SECBINFHSA-N 0 2 317.370 3.176 20 0 DGADLN C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1oncc1C(=O)[O-] ZINC000579484823 435157418 /nfs/dbraw/zinc/15/74/18/435157418.db2.gz XRGSXQLPLSBBAV-SECBINFHSA-N 0 2 317.370 3.176 20 0 DGADLN CC1(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1 ZINC000560498008 435173170 /nfs/dbraw/zinc/17/31/70/435173170.db2.gz JISPLNDQPOIWSA-UHFFFAOYSA-N 0 2 323.443 3.156 20 0 DGADLN c1ccc(-c2nc(=N[C@H](c3ccccc3)[C@@H]3CCCO3)[nH]o2)cc1 ZINC000475053345 435173543 /nfs/dbraw/zinc/17/35/43/435173543.db2.gz IQEVWDVFUXEOOD-DLBZAZTESA-N 0 2 321.380 3.491 20 0 DGADLN FC(F)Oc1ccc(CN=c2nc(-c3ccccc3)o[nH]2)cc1 ZINC000475074968 435176271 /nfs/dbraw/zinc/17/62/71/435176271.db2.gz NKKLQOXTJZSHOF-UHFFFAOYSA-N 0 2 317.295 3.372 20 0 DGADLN CCc1csc(NS(=O)(=O)c2cccc(C)c2Cl)n1 ZINC000561434361 435217658 /nfs/dbraw/zinc/21/76/58/435217658.db2.gz MBCSWBYUEVSMIE-UHFFFAOYSA-N 0 2 316.835 3.468 20 0 DGADLN O=C([O-])c1ccc[nH+]c1N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000642326742 435220716 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ZINC000294554478 528240139 /nfs/dbraw/zinc/24/01/39/528240139.db2.gz NVLCUKCBTOHHCJ-UHFFFAOYSA-N 0 2 310.379 3.081 20 0 DGADLN CCNc1ncc(C(=O)N(C)Cc2c(F)cccc2F)s1 ZINC000295589231 528442288 /nfs/dbraw/zinc/44/22/88/528442288.db2.gz MCDTVFSXRABEKJ-UHFFFAOYSA-N 0 2 311.357 3.125 20 0 DGADLN CC(C)n1cc(S(=O)(=O)Nc2cccc3ccsc32)cn1 ZINC000443456023 528575203 /nfs/dbraw/zinc/57/52/03/528575203.db2.gz UCSANXFXJMFWDA-UHFFFAOYSA-N 0 2 321.427 3.480 20 0 DGADLN CC(C)[C@H](CNC(=O)N=c1cccn[nH]1)c1ccc(Cl)cc1 ZINC000477184988 535000493 /nfs/dbraw/zinc/00/04/93/535000493.db2.gz GVOCIOYDOMGLPU-AWEZNQCLSA-N 0 2 318.808 3.113 20 0 DGADLN CC[C@]1(C)C[C@@H]1C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000472269468 535929819 /nfs/dbraw/zinc/92/98/19/535929819.db2.gz OEIBFBPVIQXHEC-YMTOWFKASA-N 0 2 307.444 3.372 20 0 DGADLN Cc1noc(C2CC2)c1NS(=O)(=O)c1cccc(F)c1C ZINC000126913484 545926089 /nfs/dbraw/zinc/92/60/89/545926089.db2.gz HHNPTIAHEZSCSE-UHFFFAOYSA-N 0 2 310.350 3.109 20 0 DGADLN 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/nfs/dbraw/zinc/06/22/11/548062211.db2.gz UWBKWTUWHJXBJP-UHFFFAOYSA-N 0 2 314.775 3.344 20 0 DGADLN CSc1ccc(S(=O)(=O)Nc2sc(C)nc2C)cc1 ZINC000674870239 548126770 /nfs/dbraw/zinc/12/67/70/548126770.db2.gz WZDCXQKCFNJMIL-UHFFFAOYSA-N 0 2 314.457 3.283 20 0 DGADLN COc1cc(F)c(S(=O)(=O)Nc2cscc2C)c(F)c1 ZINC000676635750 548389006 /nfs/dbraw/zinc/38/90/06/548389006.db2.gz MHNZJWKOCHXQJY-UHFFFAOYSA-N 0 2 319.354 3.144 20 0 DGADLN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1n[nH]c(C)c1O ZINC000676702076 548395325 /nfs/dbraw/zinc/39/53/25/548395325.db2.gz PHICAJGMYCJDJB-HNNXBMFYSA-N 0 2 315.417 3.216 20 0 DGADLN CC1(C)CCC[C@H](C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000677303684 548483118 /nfs/dbraw/zinc/48/31/18/548483118.db2.gz IIWRBAWQVZAPHS-LBPRGKRZSA-N 0 2 315.373 3.185 20 0 DGADLN CCC(CC)[C@@H](C)C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000677761690 548552011 /nfs/dbraw/zinc/55/20/11/548552011.db2.gz VZOFPMHXNUPMBD-SNVBAGLBSA-N 0 2 303.362 3.041 20 0 DGADLN O=C(Nc1nc(-c2ccccc2)c[nH]1)c1c(O)cc(F)cc1F 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CCn1cc(S(=O)(=O)Nc2ccc3oc(C)c(C)c3c2)cn1 ZINC000681365983 549196866 /nfs/dbraw/zinc/19/68/66/549196866.db2.gz ZFWMTKZTVZNPTM-UHFFFAOYSA-N 0 2 319.386 3.067 20 0 DGADLN CC(C)[C@@H](CC(F)(F)F)NC(=O)c1c(O)cc(F)cc1F ZINC000682174070 549302502 /nfs/dbraw/zinc/30/25/02/549302502.db2.gz LPZWZNGWGANNKI-SECBINFHSA-N 0 2 311.250 3.377 20 0 DGADLN Cc1nc(-c2ccccc2NC(=O)c2n[nH]c(C)c2O)cs1 ZINC000684504162 549649183 /nfs/dbraw/zinc/64/91/83/549649183.db2.gz UKSKXBWMUBEKBM-UHFFFAOYSA-N 0 2 314.370 3.108 20 0 DGADLN Cc1[nH]nc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)c1O ZINC000684513778 549651969 /nfs/dbraw/zinc/65/19/69/549651969.db2.gz KTGMDGKNLLBRCV-UHFFFAOYSA-N 0 2 319.792 3.097 20 0 DGADLN CC[C@H]([NH2+][C@@H](C(=O)[O-])c1ccc(F)cc1)c1nc(C)cs1 ZINC000736919766 574810746 /nfs/dbraw/zinc/81/07/46/574810746.db2.gz JDVQJSLPEQOOKM-QWHCGFSZSA-N 0 2 308.378 3.457 20 0 DGADLN CCC[C@](C)([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC000736960576 574812536 /nfs/dbraw/zinc/81/25/36/574812536.db2.gz 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/nfs/dbraw/zinc/08/48/82/600084882.db2.gz AQRHKFPYYITNNB-UHFFFAOYSA-N 0 2 312.325 3.117 20 0 DGADLN Cc1c(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)cccc1[N+](=O)[O-] ZINC000321552631 600084884 /nfs/dbraw/zinc/08/48/84/600084884.db2.gz AQRHKFPYYITNNB-UHFFFAOYSA-N 0 2 312.325 3.117 20 0 DGADLN O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1cnn(-c3ccccc3)c1)C2 ZINC000326098346 600087591 /nfs/dbraw/zinc/08/75/91/600087591.db2.gz CLNKOXNSOWMANW-UHFFFAOYSA-N 0 2 319.364 3.086 20 0 DGADLN O=C([O-])c1ccc2c(c1)C[N@H+](Cc1cnn(-c3ccccc3)c1)C2 ZINC000326098346 600087594 /nfs/dbraw/zinc/08/75/94/600087594.db2.gz CLNKOXNSOWMANW-UHFFFAOYSA-N 0 2 319.364 3.086 20 0 DGADLN O=C(Nc1ccc(OCCCO)cc1)c1cccc(Cl)c1O ZINC000804758820 617665035 /nfs/dbraw/zinc/66/50/35/617665035.db2.gz NRQSQZVVKQBOJK-UHFFFAOYSA-N 0 2 321.760 3.059 20 0 DGADLN CCON(C(=O)c1cc(Br)c(F)cc1O)C(C)C ZINC000844072607 617680065 /nfs/dbraw/zinc/68/00/65/617680065.db2.gz BCQFNJORAOQISU-UHFFFAOYSA-N 0 2 320.158 3.096 20 0 DGADLN O=C(N[C@H](c1ccncc1)C1CC1)c1cc(F)cc(Cl)c1O ZINC000890912078 617703743 /nfs/dbraw/zinc/70/37/43/617703743.db2.gz YQRHQSKNXCZXTN-AWEZNQCLSA-N 0 2 320.751 3.461 20 0 DGADLN O=C(NCC1(c2ccc(F)cc2F)CCCC1)C(F)(F)F ZINC000777222932 618536064 /nfs/dbraw/zinc/53/60/64/618536064.db2.gz UVLZXUDZOCAMSI-UHFFFAOYSA-N 0 2 307.262 3.455 20 0 DGADLN O=C(NOCCCC(F)(F)F)c1cc(F)cc(Cl)c1O ZINC000871214809 619081513 /nfs/dbraw/zinc/08/15/13/619081513.db2.gz SGGBJOJKGFCJOF-UHFFFAOYSA-N 0 2 315.650 3.189 20 0 DGADLN CO[C@H](C)c1cc(=O)n(Cc2cc(Cl)ccc2Cl)[nH]1 ZINC000899355618 619328440 /nfs/dbraw/zinc/32/84/40/619328440.db2.gz SHGXJJVAOHQCBM-MRVPVSSYSA-N 0 2 301.173 3.117 20 0 DGADLN CCCCC1=NN(c2cc(Cl)nc(COCC)n2)C(=O)[C@H]1C ZINC000899361348 619330328 /nfs/dbraw/zinc/33/03/28/619330328.db2.gz YYOGCCBYHIRNHB-JTQLQIEISA-N 0 2 324.812 3.195 20 0 DGADLN C/C(=C(/F)C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)C1CC1 ZINC000900071066 619399252 /nfs/dbraw/zinc/39/92/52/619399252.db2.gz HICFJCFCHQYHJL-WQLSENKSSA-N 0 2 321.377 3.009 20 0 DGADLN Cc1sc(C[NH2+]Cc2ccsc2Cl)nc1C(=O)[O-] ZINC000900064765 619401924 /nfs/dbraw/zinc/40/19/24/619401924.db2.gz SZVFXAYDOAMWJS-UHFFFAOYSA-N 0 2 302.808 3.154 20 0 DGADLN O=C([O-])c1ccc(N[C@H](C[C@H]2CCOC2)c2ccccc2)[nH+]c1 ZINC000900988981 619464829 /nfs/dbraw/zinc/46/48/29/619464829.db2.gz QJBYSLXEFSRXDA-CZUORRHYSA-N 0 2 312.369 3.360 20 0 DGADLN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1ccc(O)c(Cl)c1 ZINC000901161952 619476036 /nfs/dbraw/zinc/47/60/36/619476036.db2.gz DCDJNZXFEYSCTR-XLKFXECMSA-N 0 2 305.765 3.073 20 0 DGADLN Cc1sc(C)c(S(=O)(=O)Nc2cnn(C(C)C)c2)c1C ZINC000901623105 619525131 /nfs/dbraw/zinc/52/51/31/619525131.db2.gz QONHZEDFJWUAJF-UHFFFAOYSA-N 0 2 313.448 3.252 20 0 DGADLN O=C([O-])c1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)c(F)c1 ZINC000901759518 619541071 /nfs/dbraw/zinc/54/10/71/619541071.db2.gz SMLNKVRPTUQIAH-UHFFFAOYSA-N 0 2 320.389 3.149 20 0 DGADLN Cc1ccc(S(=O)(=O)Nc2cnn(C3CCCC3)c2)cc1F ZINC000901767681 619541783 /nfs/dbraw/zinc/54/17/83/619541783.db2.gz FUBXWJKJDCHFGV-UHFFFAOYSA-N 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