smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1 ZINC000436026441 861319227 /nfs/dbraw/zinc/31/92/27/861319227.db2.gz YHYNHXBBFMGETF-UHFFFAOYSA-N -1 3 409.349 4.467 20 0 HIADHM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000436137416 861428607 /nfs/dbraw/zinc/42/86/07/861428607.db2.gz ZXZBQROXCJTBAF-UHFFFAOYSA-N -1 3 406.151 4.346 20 0 HIADHM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000436137416 861428621 /nfs/dbraw/zinc/42/86/21/861428621.db2.gz ZXZBQROXCJTBAF-UHFFFAOYSA-N -1 3 406.151 4.346 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1nc(C2CCCCC2)no1 ZINC000436196105 861496904 /nfs/dbraw/zinc/49/69/04/861496904.db2.gz HSJCAQRVKKNHAE-LLVKDONJSA-N -1 3 403.426 4.176 20 0 HIADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000467523496 881340759 /nfs/dbraw/zinc/34/07/59/881340759.db2.gz QZSHNJINZQPKRS-QRWLVFNGSA-N -1 3 422.953 4.208 20 0 HIADHM COc1ccc([C@@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])N2CCCC2)cc1 ZINC000005291350 845097939 /nfs/dbraw/zinc/09/79/39/845097939.db2.gz IEXJJZUUSWISLW-VVJWVBNBSA-N -1 3 403.866 4.218 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccnc3Cl)cc2)cc1 ZINC000005925344 845153189 /nfs/dbraw/zinc/15/31/89/845153189.db2.gz SKJYYYKYPIQHTF-UHFFFAOYSA-N -1 3 401.875 4.097 20 0 HIADHM CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000006405720 845197000 /nfs/dbraw/zinc/19/70/00/845197000.db2.gz YRKOHAWNZWEFQZ-UHFFFAOYSA-N -1 3 414.458 4.278 20 0 HIADHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN3CCC=C(C)C3)nc(=O)c12 ZINC000436258824 861571273 /nfs/dbraw/zinc/57/12/73/861571273.db2.gz IPUWBZYWIYRNDN-UHFFFAOYSA-N -1 3 422.554 4.314 20 0 HIADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC2CCCC2)c(Cl)cc1Cl ZINC000008081323 845471959 /nfs/dbraw/zinc/47/19/59/845471959.db2.gz BPYPZNWUOUDQBP-NSHDSACASA-N -1 3 407.363 4.133 20 0 HIADHM COC(=O)c1sc2[n-]c(CSCc3cccc4cccnc43)nc(=O)c2c1C ZINC000009937119 845605918 /nfs/dbraw/zinc/60/59/18/845605918.db2.gz OZDXBQIHLHKHNR-UHFFFAOYSA-N -1 3 411.508 4.061 20 0 HIADHM Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)cc2[nH]1 ZINC000010657140 845687986 /nfs/dbraw/zinc/68/79/86/845687986.db2.gz KLNMEXNXSIAQRL-UHFFFAOYSA-N -1 3 420.494 4.233 20 0 HIADHM Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)ccc2[nH]1 ZINC000010657134 845688088 /nfs/dbraw/zinc/68/80/88/845688088.db2.gz SOYIAJOWOWZFRF-UHFFFAOYSA-N -1 3 424.457 4.064 20 0 HIADHM Cc1cc(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)ccc1Br ZINC000011808794 845834679 /nfs/dbraw/zinc/83/46/79/845834679.db2.gz KBKAJZIVXABCCD-UHFFFAOYSA-N -1 3 406.063 4.188 20 0 HIADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)N(Cc1ccccc1)CC(F)(F)F ZINC000011810277 845835428 /nfs/dbraw/zinc/83/54/28/845835428.db2.gz HLNVJIRUTZNUJL-UHFFFAOYSA-N -1 3 409.191 4.069 20 0 HIADHM C[C@@H](NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc(Br)cc1 ZINC000011810067 845835460 /nfs/dbraw/zinc/83/54/60/845835460.db2.gz MUQWZUPBZIJMPV-MRVPVSSYSA-N -1 3 420.090 4.118 20 0 HIADHM Cc1cc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)ccc1F ZINC000011984902 845845923 /nfs/dbraw/zinc/84/59/23/845845923.db2.gz BJLYEEHHTCHBCO-UHFFFAOYSA-N -1 3 416.449 4.004 20 0 HIADHM O=S(=O)([N-]Cc1ccccc1OC(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000014208445 845930989 /nfs/dbraw/zinc/93/09/89/845930989.db2.gz PUDBOVMOYMHXFL-UHFFFAOYSA-N -1 3 415.767 4.439 20 0 HIADHM O=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000015584191 846067242 /nfs/dbraw/zinc/06/72/42/846067242.db2.gz VMXDMVQIQJQHKN-UHFFFAOYSA-N -1 3 418.877 4.210 20 0 HIADHM COc1ccc(NC(=O)c2ccc(C)o2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015898113 846101974 /nfs/dbraw/zinc/10/19/74/846101974.db2.gz NZWHCSDUIBLLCJ-UHFFFAOYSA-N -1 3 420.874 4.303 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)c(C)c1 ZINC000016150420 846130881 /nfs/dbraw/zinc/13/08/81/846130881.db2.gz HKAISPWZQBFHBL-UHFFFAOYSA-N -1 3 410.543 4.398 20 0 HIADHM COCCOC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(C)s3)nc(=O)c2c1C ZINC000016387356 846163798 /nfs/dbraw/zinc/16/37/98/846163798.db2.gz LIFYMNURAHEFKE-WQLSENKSSA-N -1 3 424.931 4.203 20 0 HIADHM CC(C)n1nnnc1S[C@@H](C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000016453260 846173656 /nfs/dbraw/zinc/17/36/56/846173656.db2.gz KSCBDYRQZYPNPW-VIFPVBQESA-N -1 3 404.546 4.134 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3)c2)cc1 ZINC000016503713 846179699 /nfs/dbraw/zinc/17/96/99/846179699.db2.gz OHRSTWROJUFSJC-UHFFFAOYSA-N -1 3 410.495 4.447 20 0 HIADHM O=S(=O)([N-]CC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(Cl)s1 ZINC000016972732 846225999 /nfs/dbraw/zinc/22/59/99/846225999.db2.gz ICYNXCYYSYZKJJ-UHFFFAOYSA-N -1 3 406.356 4.082 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000017323518 846247066 /nfs/dbraw/zinc/24/70/66/846247066.db2.gz RGTABFXOLJWGBV-INIZCTEOSA-N -1 3 412.486 4.426 20 0 HIADHM O=c1[n-]nc(SCc2csc(-c3ccsc3)n2)n1CCc1ccccc1 ZINC000018354883 846322636 /nfs/dbraw/zinc/32/26/36/846322636.db2.gz XJHGCJWYLPXTSH-UHFFFAOYSA-N -1 3 400.554 4.291 20 0 HIADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000021178725 846413986 /nfs/dbraw/zinc/41/39/86/846413986.db2.gz ISHWGFCYQDTBGW-UHFFFAOYSA-N -1 3 415.767 4.439 20 0 HIADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000021730553 846487232 /nfs/dbraw/zinc/48/72/32/846487232.db2.gz YUKPRPRVFCCOJK-CYBMUJFWSA-N -1 3 422.224 4.042 20 0 HIADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OCc1ccccc1Cl ZINC000021971363 846515140 /nfs/dbraw/zinc/51/51/40/846515140.db2.gz MSDGZRPVPASWLD-UHFFFAOYSA-N -1 3 422.717 4.059 20 0 HIADHM O=C(NCc1cccs1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000024043325 846780487 /nfs/dbraw/zinc/78/04/87/846780487.db2.gz YQLDODWBQRGBHX-UHFFFAOYSA-N -1 3 424.906 4.271 20 0 HIADHM O=c1[n-]c(SCc2c(F)c(F)c(F)c(F)c2F)nc2c1cnn2-c1ccccc1 ZINC000025002549 846902836 /nfs/dbraw/zinc/90/28/36/846902836.db2.gz DTAHQRWXYQKVDY-UHFFFAOYSA-N -1 3 424.354 4.097 20 0 HIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000026253354 847113638 /nfs/dbraw/zinc/11/36/38/847113638.db2.gz HVDSQHHKRZGJMS-UHFFFAOYSA-N -1 3 417.269 4.282 20 0 HIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000026253354 847113663 /nfs/dbraw/zinc/11/36/63/847113663.db2.gz HVDSQHHKRZGJMS-UHFFFAOYSA-N -1 3 417.269 4.282 20 0 HIADHM O=C(Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cc(-c2ccco2)[n-]n1 ZINC000028490954 847426575 /nfs/dbraw/zinc/42/65/75/847426575.db2.gz NVXLXWDSXGHTDJ-UHFFFAOYSA-N -1 3 418.365 4.049 20 0 HIADHM O=C(Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cc(-c2ccco2)n[n-]1 ZINC000028490954 847426580 /nfs/dbraw/zinc/42/65/80/847426580.db2.gz NVXLXWDSXGHTDJ-UHFFFAOYSA-N -1 3 418.365 4.049 20 0 HIADHM CC[C@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000028490725 847426646 /nfs/dbraw/zinc/42/66/46/847426646.db2.gz ODJYGWGNIFFMBQ-IBGZPJMESA-N -1 3 416.543 4.209 20 0 HIADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CS2 ZINC000028810251 847464051 /nfs/dbraw/zinc/46/40/51/847464051.db2.gz CHLIYYKMFVKXIY-UHFFFAOYSA-N -1 3 404.557 4.446 20 0 HIADHM O=c1[n-]nc(SCc2coc(-c3cccc(Cl)c3)n2)n1CCc1ccccc1 ZINC000028964700 847484682 /nfs/dbraw/zinc/48/46/82/847484682.db2.gz PBABDRCWBUKDJP-UHFFFAOYSA-N -1 3 412.902 4.415 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCC1CCCC1 ZINC000029343698 847548997 /nfs/dbraw/zinc/54/89/97/847548997.db2.gz JZIOGKBPDZJUKX-UHFFFAOYSA-N -1 3 404.507 4.245 20 0 HIADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000029997895 847667868 /nfs/dbraw/zinc/66/78/68/847667868.db2.gz QYKLINNLYFHVJD-DOTOQJQBSA-N -1 3 404.507 4.277 20 0 HIADHM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000030213484 847688989 /nfs/dbraw/zinc/68/89/89/847688989.db2.gz GNTSWTJWWQRBCZ-IBGZPJMESA-N -1 3 418.534 4.188 20 0 HIADHM CCN(CC)C(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000030373945 847708883 /nfs/dbraw/zinc/70/88/83/847708883.db2.gz LDXRVQHSOGYINE-UHFFFAOYSA-N -1 3 421.371 4.015 20 0 HIADHM O=S(=O)([N-]Cc1cccnc1OC1CCCC1)c1c(Cl)cccc1Cl ZINC000030433471 847716110 /nfs/dbraw/zinc/71/61/10/847716110.db2.gz IBNZCEQXDNFXBT-UHFFFAOYSA-N -1 3 401.315 4.188 20 0 HIADHM CCCc1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)ccc1Cl ZINC000436489356 861822122 /nfs/dbraw/zinc/82/21/22/861822122.db2.gz NIXDNSYRQMONFL-UHFFFAOYSA-N -1 3 400.906 4.033 20 0 HIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(Nc4ncccn4)c3)nc(=O)c2c1C ZINC000030836504 847781471 /nfs/dbraw/zinc/78/14/71/847781471.db2.gz IPENVPUSDXCGFD-LBPRGKRZSA-N -1 3 421.482 4.053 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC/C=C\c1ccccc1 ZINC000436525865 861835236 /nfs/dbraw/zinc/83/52/36/861835236.db2.gz PGFNQFXOISYFHT-BDYZRQCESA-N -1 3 400.478 4.083 20 0 HIADHM O=C([N-]c1nncs1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC000031273158 847856084 /nfs/dbraw/zinc/85/60/84/847856084.db2.gz ACSXKJQTDXGTOM-UHFFFAOYSA-N -1 3 407.299 4.014 20 0 HIADHM C[C@H]1c2ccccc2CCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436528600 861837332 /nfs/dbraw/zinc/83/73/32/861837332.db2.gz OYFNMPAOJJLRPF-UUOWRZLLSA-N -1 3 414.505 4.399 20 0 HIADHM Cc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)c([O-])c1 ZINC000436543657 861844680 /nfs/dbraw/zinc/84/46/80/861844680.db2.gz GRLVWQNUIUFHMC-UHFFFAOYSA-N -1 3 417.252 4.302 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000436546791 861845597 /nfs/dbraw/zinc/84/55/97/861845597.db2.gz QRRDIMIJIOVEDW-HXUWFJFHSA-N -1 3 416.525 4.124 20 0 HIADHM CCN(CC)C(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1Cl ZINC000031721139 847937696 /nfs/dbraw/zinc/93/76/96/847937696.db2.gz REJKQXJVKBTZIY-UHFFFAOYSA-N -1 3 424.950 4.005 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2c1OCCC2 ZINC000436552817 861849024 /nfs/dbraw/zinc/84/90/24/861849024.db2.gz AMMNIEDPZAHQAX-JOCHJYFZSA-N -1 3 416.477 4.217 20 0 HIADHM CC(C)c1cccnc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436555978 861849739 /nfs/dbraw/zinc/84/97/39/861849739.db2.gz JXQLRFZOXQJUJR-NRFANRHFSA-N -1 3 403.482 4.411 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC3CCCC3)ccc2C)cc1 ZINC000031934391 847966976 /nfs/dbraw/zinc/96/69/76/847966976.db2.gz OLQUJLSJEUAELX-UHFFFAOYSA-N -1 3 416.543 4.115 20 0 HIADHM CCc1cnccc1[C@@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436558208 861850578 /nfs/dbraw/zinc/85/05/78/861850578.db2.gz UNNMFLWDJZHJGH-UZUQRXQVSA-N -1 3 417.509 4.088 20 0 HIADHM O=C(Nc1ccccc1N1CCC(O)CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436561896 861852424 /nfs/dbraw/zinc/85/24/24/861852424.db2.gz LDZZOKXAHCYOAW-UHFFFAOYSA-N -1 3 402.494 4.196 20 0 HIADHM O=C(Nc1cccc(N2CCCNC2=O)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436571584 861856198 /nfs/dbraw/zinc/85/61/98/861856198.db2.gz WMQJKPMEQLUCOP-UHFFFAOYSA-N -1 3 403.438 4.357 20 0 HIADHM CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2ccc(C)c(C)c2[O-])ccn1 ZINC000436578656 861858477 /nfs/dbraw/zinc/85/84/77/861858477.db2.gz SBGDJUULEXSSJE-UHFFFAOYSA-N -1 3 405.454 4.117 20 0 HIADHM O=C(NCCc1nnc(-c2ccccc2)o1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436581684 861859824 /nfs/dbraw/zinc/85/98/24/861859824.db2.gz GBLKXOLOHUKQCI-UHFFFAOYSA-N -1 3 401.422 4.207 20 0 HIADHM O=C1CCCN1c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000032629828 848055562 /nfs/dbraw/zinc/05/55/62/848055562.db2.gz QBJADKROUKYAHZ-UHFFFAOYSA-N -1 3 403.262 4.060 20 0 HIADHM O=C1CCCN1c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000032629654 848055878 /nfs/dbraw/zinc/05/58/78/848055878.db2.gz MCQGFYFVUZWGQS-UHFFFAOYSA-N -1 3 418.824 4.286 20 0 HIADHM O=C(CC1CCC(c2ccccc2)CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436603252 861865875 /nfs/dbraw/zinc/86/58/75/861865875.db2.gz HGKNJUYCCCKOEV-UHFFFAOYSA-N -1 3 406.526 4.041 20 0 HIADHM O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436603256 861866206 /nfs/dbraw/zinc/86/62/06/861866206.db2.gz MIPCLQUGPWWPET-HXUWFJFHSA-N -1 3 400.478 4.033 20 0 HIADHM O=C(CSc1nncs1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436607932 861867464 /nfs/dbraw/zinc/86/74/64/861867464.db2.gz SMCAPOFVXYZQQC-UHFFFAOYSA-N -1 3 400.510 4.251 20 0 HIADHM COC(=O)c1cc(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])oc1C ZINC000436608580 861868342 /nfs/dbraw/zinc/86/83/42/861868342.db2.gz UVNWEXXNUIPTRD-UHFFFAOYSA-N -1 3 407.466 4.138 20 0 HIADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436616347 861870896 /nfs/dbraw/zinc/87/08/96/861870896.db2.gz IYZAVMVBEVAGOB-GOSISDBHSA-N -1 3 421.324 4.352 20 0 HIADHM CCCCN(C)C(=O)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436618728 861872543 /nfs/dbraw/zinc/87/25/43/861872543.db2.gz OYHVQTUFHIWRJO-UHFFFAOYSA-N -1 3 422.569 4.288 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc(F)c(F)c(F)c1 ZINC000436618686 861872862 /nfs/dbraw/zinc/87/28/62/861872862.db2.gz MJAUJDGHXTUUCF-IBGZPJMESA-N -1 3 414.383 4.309 20 0 HIADHM CCC[C@@H](CC1CCCCC1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436639245 861878507 /nfs/dbraw/zinc/87/85/07/861878507.db2.gz BNCQREQEYUVNEA-IBGZPJMESA-N -1 3 400.563 4.500 20 0 HIADHM CCc1cc2c(CSc3nc4ccccc4c(=O)n3CC)cc(=O)oc2cc1[O-] ZINC000036818763 848165269 /nfs/dbraw/zinc/16/52/69/848165269.db2.gz DQFMWDHELWPKFJ-UHFFFAOYSA-N -1 3 408.479 4.083 20 0 HIADHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000037575776 848174209 /nfs/dbraw/zinc/17/42/09/848174209.db2.gz XXOOISXVCBXNMB-UHFFFAOYSA-N -1 3 423.101 4.460 20 0 HIADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436625060 861874215 /nfs/dbraw/zinc/87/42/15/861874215.db2.gz NSVPFTAUGLVGMP-DENIHFKCSA-N -1 3 422.569 4.334 20 0 HIADHM O=C(c1ccc(O)cc1[O-])N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000436629445 861875264 /nfs/dbraw/zinc/87/52/64/861875264.db2.gz JNFXWFGNNZUEPL-HSZRJFAPSA-N -1 3 422.912 4.299 20 0 HIADHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1[O-] ZINC000436637966 861878704 /nfs/dbraw/zinc/87/87/04/861878704.db2.gz YWRAUNISJLSLPI-GOSISDBHSA-N -1 3 412.244 4.254 20 0 HIADHM CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436637803 861877414 /nfs/dbraw/zinc/87/74/14/861877414.db2.gz YJZGJHIJQANVET-HSZRJFAPSA-N -1 3 414.505 4.322 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)cs2)c1 ZINC000436640413 861879466 /nfs/dbraw/zinc/87/94/66/861879466.db2.gz WIMDZLRENROPQP-QVKFZJNVSA-N -1 3 421.522 4.172 20 0 HIADHM O=C(c1c([O-])cccc1O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000436649394 861881974 /nfs/dbraw/zinc/88/19/74/861881974.db2.gz RSBOIVMZBBLSEG-HSZRJFAPSA-N -1 3 422.912 4.299 20 0 HIADHM O=C([N-]NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1F ZINC000042084516 848282983 /nfs/dbraw/zinc/28/29/83/848282983.db2.gz SEVUEPUSKJKKCE-UHFFFAOYSA-N -1 3 409.767 4.268 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)c1 ZINC000436666335 861887717 /nfs/dbraw/zinc/88/77/17/861887717.db2.gz SLCTYHREGWDOOH-IBGZPJMESA-N -1 3 419.481 4.097 20 0 HIADHM CC[C@H]1c2ccsc2CCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436674567 861890625 /nfs/dbraw/zinc/89/06/25/861890625.db2.gz QENVEGRKRWZOSK-KRWDZBQOSA-N -1 3 411.483 4.152 20 0 HIADHM CC(C)c1ccc(C(=O)N(C)CCN(C)C(=O)c2ccc(C(C)C)cc2O)c([O-])c1 ZINC000436680698 861892666 /nfs/dbraw/zinc/89/26/66/861892666.db2.gz PLBFRSUWVTWJMR-UHFFFAOYSA-N -1 3 412.530 4.189 20 0 HIADHM COc1cc(-c2nc(Cc3ccc(OCc4ccncc4)cc3)no2)cc(OC)c1[O-] ZINC000436691516 861895228 /nfs/dbraw/zinc/89/52/28/861895228.db2.gz SWYIKWPUOMLHQZ-UHFFFAOYSA-N -1 3 419.437 4.024 20 0 HIADHM Cc1cc(C)[n-]c(=NNC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000043078910 848381288 /nfs/dbraw/zinc/38/12/88/848381288.db2.gz QVICUQHHZTXNGI-LJQANCHMSA-N -1 3 400.486 4.033 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc3ncsc3c2)c1 ZINC000436708623 861898790 /nfs/dbraw/zinc/89/87/90/861898790.db2.gz SJKVACRCGDRYFC-NSHDSACASA-N -1 3 422.466 4.042 20 0 HIADHM CC(C)c1c(C(=O)[N-]NC(=O)c2ccc(Cl)cc2)cnn1-c1cccc(Cl)c1 ZINC000043733664 848456240 /nfs/dbraw/zinc/45/62/40/848456240.db2.gz FGKMLDOHQYQTGA-UHFFFAOYSA-N -1 3 417.296 4.377 20 0 HIADHM Cc1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)sc1-c1cccc(Cl)c1 ZINC000436727549 861913876 /nfs/dbraw/zinc/91/38/76/861913876.db2.gz ZTHPLRMRIONSLQ-UHFFFAOYSA-N -1 3 414.914 4.242 20 0 HIADHM O=C(c1ccccc1[O-])N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000436736181 861918950 /nfs/dbraw/zinc/91/89/50/861918950.db2.gz FIISVVBDWYQLAL-UHFFFAOYSA-N -1 3 411.885 4.259 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCc3ccc(C)cc32)c1 ZINC000436733894 861919613 /nfs/dbraw/zinc/91/96/13/861919613.db2.gz YTUVQEBUWBWQHJ-HXUWFJFHSA-N -1 3 405.454 4.057 20 0 HIADHM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436742510 861924672 /nfs/dbraw/zinc/92/46/72/861924672.db2.gz VTUXRKKQBNUEBL-IBGZPJMESA-N -1 3 423.469 4.173 20 0 HIADHM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c(Cl)c1 ZINC000044843382 848609548 /nfs/dbraw/zinc/60/95/48/848609548.db2.gz DYZFPISIWWNYPN-UHFFFAOYSA-N -1 3 407.854 4.169 20 0 HIADHM O=C(c1ccccc1[O-])N1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000436737443 861922292 /nfs/dbraw/zinc/92/22/92/861922292.db2.gz JQJXFHQEYWIYLE-UHFFFAOYSA-N -1 3 416.506 4.026 20 0 HIADHM CCOc1cccc2cc([C@H](C)NC(=O)N[N-]C(=O)c3ccccc3Cl)oc21 ZINC000045133518 848637689 /nfs/dbraw/zinc/63/76/89/848637689.db2.gz ZALSOKWEPIDVIU-LBPRGKRZSA-N -1 3 401.850 4.190 20 0 HIADHM O=C(NNC(=O)c1ccccc1[O-])N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000045213044 848648122 /nfs/dbraw/zinc/64/81/22/848648122.db2.gz PLRAVFULVCBHNJ-NRFANRHFSA-N -1 3 403.482 4.100 20 0 HIADHM O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000045946954 848757141 /nfs/dbraw/zinc/75/71/41/848757141.db2.gz IAMISMQWSTVHKR-UHFFFAOYSA-N -1 3 420.178 4.357 20 0 HIADHM O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000045946954 848757146 /nfs/dbraw/zinc/75/71/46/848757146.db2.gz IAMISMQWSTVHKR-UHFFFAOYSA-N -1 3 420.178 4.357 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(-c4ccccc4)s3)c2)n1 ZINC000046065151 848780086 /nfs/dbraw/zinc/78/00/86/848780086.db2.gz ALSGVPQVEZWEML-UHFFFAOYSA-N -1 3 402.479 4.375 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)nc4cc(F)ccc43)c2)n1 ZINC000046067195 848780738 /nfs/dbraw/zinc/78/07/38/848780738.db2.gz XZEQHQAFDFQDGR-UHFFFAOYSA-N -1 3 402.429 4.247 20 0 HIADHM O=C(NC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1)c1ccccc1 ZINC000436758610 861948636 /nfs/dbraw/zinc/94/86/36/861948636.db2.gz ZVVQUDWAORFRJP-UHFFFAOYSA-N -1 3 416.477 4.219 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCc1nc2ccccc2o1 ZINC000046451884 848850953 /nfs/dbraw/zinc/85/09/53/848850953.db2.gz RZDXBXXKHBETFP-FQEVSTJZSA-N -1 3 416.433 4.138 20 0 HIADHM Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1[O-] ZINC000436769564 861959597 /nfs/dbraw/zinc/95/95/97/861959597.db2.gz KDYVTOUREDTPEC-UHFFFAOYSA-N -1 3 416.886 4.407 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000436769633 861960751 /nfs/dbraw/zinc/96/07/51/861960751.db2.gz KFXZIIOISKGGAC-IBGZPJMESA-N -1 3 403.482 4.068 20 0 HIADHM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1Cl ZINC000047268124 849017746 /nfs/dbraw/zinc/01/77/46/849017746.db2.gz JTZXWKNPHRMJEV-UHFFFAOYSA-N -1 3 407.854 4.169 20 0 HIADHM CCc1cccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000047338878 849029433 /nfs/dbraw/zinc/02/94/33/849029433.db2.gz YHKJZIVEMYXUTN-UHFFFAOYSA-N -1 3 401.894 4.491 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000047395864 849038788 /nfs/dbraw/zinc/03/87/88/849038788.db2.gz HYPSGYAPVCSLCQ-UHFFFAOYSA-N -1 3 409.820 4.206 20 0 HIADHM Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NN=c1nc(C)cc(C)[n-]1 ZINC000047477741 849053293 /nfs/dbraw/zinc/05/32/93/849053293.db2.gz IXGKIPJXANLOTG-UHFFFAOYSA-N -1 3 415.906 4.126 20 0 HIADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000436785077 861976431 /nfs/dbraw/zinc/97/64/31/861976431.db2.gz ZSLGXHGPHNULIT-UHFFFAOYSA-N -1 3 401.503 4.149 20 0 HIADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000436789623 861981933 /nfs/dbraw/zinc/98/19/33/861981933.db2.gz LKTCBBNGWKMDIR-RTWAWAEBSA-N -1 3 402.535 4.331 20 0 HIADHM CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436793615 861986240 /nfs/dbraw/zinc/98/62/40/861986240.db2.gz LTFUVIOQZGTDGT-UHFFFAOYSA-N -1 3 424.447 4.166 20 0 HIADHM CCc1ccc(C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)c([O-])c1 ZINC000436804852 861994749 /nfs/dbraw/zinc/99/47/49/861994749.db2.gz WCVVVIAQJCHOFV-UHFFFAOYSA-N -1 3 420.465 4.476 20 0 HIADHM C[C@@H](c1nccs1)N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436803364 861994827 /nfs/dbraw/zinc/99/48/27/861994827.db2.gz JRPMYOPPLJZOBV-SFHVURJKSA-N -1 3 421.566 4.153 20 0 HIADHM C[C@H](C1CC1)n1cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000436816993 862000220 /nfs/dbraw/zinc/00/02/20/862000220.db2.gz VQZDYASPXVQDSO-OPAMFIHVSA-N -1 3 418.497 4.060 20 0 HIADHM CCc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1 ZINC000049304452 849303011 /nfs/dbraw/zinc/30/30/11/849303011.db2.gz DXSFDABTPXYRQF-UHFFFAOYSA-N -1 3 403.482 4.163 20 0 HIADHM CCOc1c(Cl)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1Cl ZINC000436820047 862002555 /nfs/dbraw/zinc/00/25/55/862002555.db2.gz PJRWOIOBBAGSDI-MRXNPFEDSA-N -1 3 423.296 4.341 20 0 HIADHM Cc1ccc(-c2cnc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])s2)c(C)c1 ZINC000436825132 862005447 /nfs/dbraw/zinc/00/54/47/862005447.db2.gz JKQRLHDICIMATD-GOSISDBHSA-N -1 3 421.522 4.376 20 0 HIADHM CC(C)[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NCc1cccnc1 ZINC000050234836 849362906 /nfs/dbraw/zinc/36/29/06/849362906.db2.gz MEXHPQWRHIZELP-INIZCTEOSA-N -1 3 417.535 4.249 20 0 HIADHM CCc1ccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)c([O-])c1 ZINC000436842801 862018735 /nfs/dbraw/zinc/01/87/35/862018735.db2.gz XNDVSLLNLVYLIA-JOCHJYFZSA-N -1 3 419.525 4.030 20 0 HIADHM Cc1ccn(-c2ccc(C(=O)O[C@@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)cc2)n1 ZINC000051275326 849451678 /nfs/dbraw/zinc/45/16/78/849451678.db2.gz LSJFEMHERGCXKJ-ZDUSSCGKSA-N -1 3 408.483 4.014 20 0 HIADHM C[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000436868090 862044570 /nfs/dbraw/zinc/04/45/70/862044570.db2.gz FVKPFFRUVGMBRY-CYBMUJFWSA-N -1 3 421.324 4.224 20 0 HIADHM Cc1ccc(C(F)(F)F)cc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436884841 862061281 /nfs/dbraw/zinc/06/12/81/862061281.db2.gz DYWNPATUBXTXTF-UHFFFAOYSA-N -1 3 421.419 4.146 20 0 HIADHM CC(C)c1ccc(-c2nc([C@@H]3CC(=O)N(C(C)(C)C)[C@H]3c3cnn(C)c3)no2)c([O-])c1 ZINC000436882922 862061681 /nfs/dbraw/zinc/06/16/81/862061681.db2.gz XYTVAZPDJDHRJS-XLIONFOSSA-N -1 3 423.517 4.155 20 0 HIADHM Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)s1 ZINC000054261375 849835142 /nfs/dbraw/zinc/83/51/42/849835142.db2.gz XKOVJDPVXPKASN-AWEZNQCLSA-N -1 3 418.515 4.487 20 0 HIADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(C3CCCC3)no2)c1[O-] ZINC000436889301 862066882 /nfs/dbraw/zinc/06/68/82/862066882.db2.gz WCXIJTBNNMNZRL-UHFFFAOYSA-N -1 3 403.438 4.204 20 0 HIADHM COc1ccc(C)cc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436904417 862079427 /nfs/dbraw/zinc/07/94/27/862079427.db2.gz QCQDFCDCHPTTLA-FQEVSTJZSA-N -1 3 404.466 4.209 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2cc(F)c(F)cc21 ZINC000436906357 862082573 /nfs/dbraw/zinc/08/25/73/862082573.db2.gz CWDJBUCJBXKBIH-OAQYLSRUSA-N -1 3 422.431 4.121 20 0 HIADHM Cc1ccc(-c2csc3[n-]c(CC(=O)N[C@@H]4CCCC[C@@H]4C)nc(=O)c23)s1 ZINC000055491057 850038950 /nfs/dbraw/zinc/03/89/50/850038950.db2.gz AAHABONAFWXACX-SMDDNHRTSA-N -1 3 401.557 4.259 20 0 HIADHM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)ccc1F ZINC000055592817 850069855 /nfs/dbraw/zinc/06/98/55/850069855.db2.gz AIXZSYAVKGGQFF-UHFFFAOYSA-N -1 3 402.447 4.397 20 0 HIADHM Cc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4ccc([O-])c(Cl)c4)n[nH]3)s2)o1 ZINC000436911176 862089804 /nfs/dbraw/zinc/08/98/04/862089804.db2.gz FCXIPBZYXOVBBA-UHFFFAOYSA-N -1 3 415.862 4.416 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2cccnc21 ZINC000436915033 862093587 /nfs/dbraw/zinc/09/35/87/862093587.db2.gz NXXJNZXBRKORLU-QFIPXVFZSA-N -1 3 411.461 4.440 20 0 HIADHM COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc4c(cc3[O-])OCO4)s2)cc1 ZINC000436914145 862094482 /nfs/dbraw/zinc/09/44/82/862094482.db2.gz KVCBGRIMMGXWGG-NSHDSACASA-N -1 3 412.467 4.052 20 0 HIADHM CC(C)(C)c1nnc([N-]C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)s1 ZINC000055976698 850221055 /nfs/dbraw/zinc/22/10/55/850221055.db2.gz JFOXNNWWFGNCNH-UHFFFAOYSA-N -1 3 413.400 4.432 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C(/C)C3CC3)ccc2C)cc1 ZINC000056064360 850237131 /nfs/dbraw/zinc/23/71/31/850237131.db2.gz LPOCCHIMVOVDQJ-QINSGFPZSA-N -1 3 400.500 4.099 20 0 HIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000436929764 862107837 /nfs/dbraw/zinc/10/78/37/862107837.db2.gz VWNSZOPNVUSAOD-RUZDIDTESA-N -1 3 421.468 4.391 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC2(C1)Oc1ccccc1O2 ZINC000436930258 862110045 /nfs/dbraw/zinc/11/00/45/862110045.db2.gz XVMZCCVXOMYFFM-UHFFFAOYSA-N -1 3 401.462 4.191 20 0 HIADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000436932716 862110349 /nfs/dbraw/zinc/11/03/49/862110349.db2.gz DFBUFNANDWPMLW-UHFFFAOYSA-N -1 3 423.387 4.071 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(-c2ccccc2Cl)o1 ZINC000436941340 862119890 /nfs/dbraw/zinc/11/98/90/862119890.db2.gz CJARHUUZHCUTCT-UHFFFAOYSA-N -1 3 424.884 4.340 20 0 HIADHM COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(=O)c5ccccc5[n-]4)CC3)c2c1 ZINC000056321974 850323849 /nfs/dbraw/zinc/32/38/49/850323849.db2.gz JLRHOUZBIXJJQR-UHFFFAOYSA-N -1 3 401.466 4.038 20 0 HIADHM O=C(N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(O)cc1[O-] ZINC000436942686 862120520 /nfs/dbraw/zinc/12/05/20/862120520.db2.gz WVSVTPPEYLUXQP-CYBMUJFWSA-N -1 3 404.182 4.284 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436946913 862124674 /nfs/dbraw/zinc/12/46/74/862124674.db2.gz PUNSJGPYZKZPPW-UHFFFAOYSA-N -1 3 412.873 4.135 20 0 HIADHM [O-]c1cc2c(cc1-c1nc(-c3cc(Cl)ccc3OCC(F)(F)F)no1)OCO2 ZINC000436950421 862128309 /nfs/dbraw/zinc/12/83/09/862128309.db2.gz VQYPKZIRXOTHFW-UHFFFAOYSA-N -1 3 414.723 4.432 20 0 HIADHM COc1cccc(N2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)c1 ZINC000436953442 862134408 /nfs/dbraw/zinc/13/44/08/862134408.db2.gz PKZIPNYGKJECNI-UHFFFAOYSA-N -1 3 404.466 4.156 20 0 HIADHM CN(C)C(=O)C[C@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)c2ccc(Cl)cc21 ZINC000436961907 862143246 /nfs/dbraw/zinc/14/32/46/862143246.db2.gz AUGVKIMRNOWKOX-HNNXBMFYSA-N -1 3 412.917 4.147 20 0 HIADHM CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000057289364 850600899 /nfs/dbraw/zinc/60/08/99/850600899.db2.gz YPYDFNKFFCGWOB-AWEZNQCLSA-N -1 3 413.326 4.189 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)CC(C)(C)c2ccc(C)cc2)c1 ZINC000436966962 862146986 /nfs/dbraw/zinc/14/69/86/862146986.db2.gz XNFRWGPKQKKRRU-UHFFFAOYSA-N -1 3 421.497 4.299 20 0 HIADHM CCOc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000057372511 850617632 /nfs/dbraw/zinc/61/76/32/850617632.db2.gz PCYVQOURAMKXRN-UHFFFAOYSA-N -1 3 410.495 4.447 20 0 HIADHM CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436970511 862149162 /nfs/dbraw/zinc/14/91/62/862149162.db2.gz MFCZSIHMFGGEJL-GOSISDBHSA-N -1 3 407.470 4.034 20 0 HIADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1csc(-c2ccc(Cl)s2)n1 ZINC000057432986 850636678 /nfs/dbraw/zinc/63/66/78/850636678.db2.gz OPGQHPSJIWYLRH-UHFFFAOYSA-N -1 3 401.904 4.417 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccn(-c4cccc(Cl)c4)n3)c2)n1 ZINC000057496155 850652293 /nfs/dbraw/zinc/65/22/93/850652293.db2.gz CLPMHRBZAGWKJV-UHFFFAOYSA-N -1 3 419.872 4.091 20 0 HIADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436975580 862153661 /nfs/dbraw/zinc/15/36/61/862153661.db2.gz LFQURZMYULJACK-LJQANCHMSA-N -1 3 421.497 4.424 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3nc(C(C)C)cs3)cs2)c1 ZINC000436975337 862153923 /nfs/dbraw/zinc/15/39/23/862153923.db2.gz JOVQILMTUFXKQY-UHFFFAOYSA-N -1 3 416.528 4.171 20 0 HIADHM CCCCOc1ccc(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c([O-])c1 ZINC000436986877 862163779 /nfs/dbraw/zinc/16/37/79/862163779.db2.gz HNVTXBJVOAEDIU-HXUWFJFHSA-N -1 3 421.440 4.386 20 0 HIADHM CCCCOc1ccc(C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c([O-])c1 ZINC000436986874 862164310 /nfs/dbraw/zinc/16/43/10/862164310.db2.gz HNVTXBJVOAEDIU-FQEVSTJZSA-N -1 3 421.440 4.386 20 0 HIADHM CCCCN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1C ZINC000058164545 850776635 /nfs/dbraw/zinc/77/66/35/850776635.db2.gz QLXWODFICXWUBX-UHFFFAOYSA-N -1 3 418.559 4.457 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ncccc3C(C)C)cs2)c1 ZINC000436990063 862167748 /nfs/dbraw/zinc/16/77/48/862167748.db2.gz QKDJNVBABCSROH-UHFFFAOYSA-N -1 3 410.499 4.109 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)c1 ZINC000436996716 862170267 /nfs/dbraw/zinc/17/02/67/862170267.db2.gz DYKZNXMQZIDDPR-QGZVFWFLSA-N -1 3 419.481 4.187 20 0 HIADHM O=C(c1ccccc1[O-])N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000437001207 862175373 /nfs/dbraw/zinc/17/53/73/862175373.db2.gz OEAGRRGWKNBPLF-UHFFFAOYSA-N -1 3 406.457 4.073 20 0 HIADHM CC1(C)CN(C(=O)c2cc3c(cc2[O-])OCO3)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000437003783 862176726 /nfs/dbraw/zinc/17/67/26/862176726.db2.gz SKACUFZYIXXMSZ-SFHVURJKSA-N -1 3 423.387 4.132 20 0 HIADHM CCCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000060619355 851169621 /nfs/dbraw/zinc/16/96/21/851169621.db2.gz IMISLHRSYBQJSN-UHFFFAOYSA-N -1 3 404.532 4.067 20 0 HIADHM Cc1ccc(-c2ncc(C(=O)[N-]c3cc(S(C)(=O)=O)ccc3F)s2)c(C)c1 ZINC000061132647 851301053 /nfs/dbraw/zinc/30/10/53/851301053.db2.gz NTFBZWXKKLJAMT-UHFFFAOYSA-N -1 3 404.488 4.222 20 0 HIADHM CCOc1ccccc1OCCCC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000061968351 851482888 /nfs/dbraw/zinc/48/28/88/851482888.db2.gz DNFSKRUJORQZDH-UHFFFAOYSA-N -1 3 421.497 4.196 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC[C@@H](C)CC1 ZINC000063275090 851648826 /nfs/dbraw/zinc/64/88/26/851648826.db2.gz SKUBOFLZLXUNJE-OAHLLOKOSA-N -1 3 404.507 4.197 20 0 HIADHM CCCCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)Cc1ccccc1F ZINC000063755457 851756500 /nfs/dbraw/zinc/75/65/00/851756500.db2.gz MPHLZAROLBACSW-UHFFFAOYSA-N -1 3 417.506 4.021 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)c(C)c1 ZINC000063878303 851783863 /nfs/dbraw/zinc/78/38/63/851783863.db2.gz QKEBKCSCWHBLGG-UHFFFAOYSA-N -1 3 410.495 4.365 20 0 HIADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064342121 851875780 /nfs/dbraw/zinc/87/57/80/851875780.db2.gz XKOFVQTVGNERDK-UHFFFAOYSA-N -1 3 404.401 4.100 20 0 HIADHM Cc1cc(C=C(C#N)C(=O)NN=c2nc(C)cc(C)[n-]2)c(C)n1-c1ccc(Cl)cc1 ZINC000064787331 851984544 /nfs/dbraw/zinc/98/45/44/851984544.db2.gz OBMQYBUYUFQVKZ-WQRHYEAKSA-N -1 3 420.904 4.205 20 0 HIADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1ccc2ccccc2c1 ZINC000065242710 852092898 /nfs/dbraw/zinc/09/28/98/852092898.db2.gz HHAZHHISADDCKS-UHFFFAOYSA-N -1 3 407.495 4.259 20 0 HIADHM O=C(OCCc1cccs1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000065663381 852212368 /nfs/dbraw/zinc/21/23/68/852212368.db2.gz NSJSWFKGMDRVAC-UHFFFAOYSA-N -1 3 405.472 4.088 20 0 HIADHM Cc1ccc(SCC(=O)N[N-]C(=O)c2sccc2-c2ccc(F)cc2)cc1 ZINC000065835337 852275321 /nfs/dbraw/zinc/27/53/21/852275321.db2.gz MSKQSOUHAFJFLP-UHFFFAOYSA-N -1 3 400.500 4.416 20 0 HIADHM CC[C@@H](OC)C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000065834374 852275642 /nfs/dbraw/zinc/27/56/42/852275642.db2.gz GZHMIYXTIKWALN-OAHLLOKOSA-N -1 3 417.314 4.158 20 0 HIADHM C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CCCCC1 ZINC000065912242 852313816 /nfs/dbraw/zinc/31/38/16/852313816.db2.gz OKQGGYYDAPRKFU-UHFFFAOYSA-N -1 3 414.502 4.035 20 0 HIADHM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cccc(C(F)(F)F)c1 ZINC000072035748 852478333 /nfs/dbraw/zinc/47/83/33/852478333.db2.gz SCAJUHYQLIJDHF-MRXNPFEDSA-N -1 3 411.405 4.234 20 0 HIADHM O=C(N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000078497523 852516971 /nfs/dbraw/zinc/51/69/71/852516971.db2.gz OZDVILHVIJVCJX-NRFANRHFSA-N -1 3 416.502 4.030 20 0 HIADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000096171049 852547021 /nfs/dbraw/zinc/54/70/21/852547021.db2.gz LKNGHPMDTOEQJX-UHFFFAOYSA-N -1 3 423.101 4.460 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(C(C)(C)C)[nH]n3)cc2)cc1 ZINC000097405450 852608960 /nfs/dbraw/zinc/60/89/60/852608960.db2.gz JQMYHRGRDNBKAM-UHFFFAOYSA-N -1 3 412.515 4.069 20 0 HIADHM CSc1nnc(CCCNC(=O)c2ccc(C(C)C)cc2[O-])n1C1CCCC1 ZINC000108475224 852854772 /nfs/dbraw/zinc/85/47/72/852854772.db2.gz BYQYASDLCXUMLU-UHFFFAOYSA-N -1 3 402.564 4.307 20 0 HIADHM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000109331619 852954054 /nfs/dbraw/zinc/95/40/54/852954054.db2.gz BUSFVKTZQNGVPM-UHFFFAOYSA-N -1 3 416.886 4.050 20 0 HIADHM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000109594175 852989610 /nfs/dbraw/zinc/98/96/10/852989610.db2.gz LUSMETWVHXFCMV-UHFFFAOYSA-N -1 3 417.531 4.036 20 0 HIADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000112553034 853232648 /nfs/dbraw/zinc/23/26/48/853232648.db2.gz NZZIVFZDCCJQQZ-RUDMXATFSA-N -1 3 418.824 4.382 20 0 HIADHM COc1cccc(-c2nc(COC(=O)c3cc(-c4ccco4)[n-]n3)cs2)c1OC ZINC000115646635 853257295 /nfs/dbraw/zinc/25/72/95/853257295.db2.gz XMOQTZSUFOQRKW-UHFFFAOYSA-N -1 3 411.439 4.167 20 0 HIADHM COc1cccc(-c2nc(COC(=O)c3cc(-c4ccco4)n[n-]3)cs2)c1OC ZINC000115646635 853257301 /nfs/dbraw/zinc/25/73/01/853257301.db2.gz XMOQTZSUFOQRKW-UHFFFAOYSA-N -1 3 411.439 4.167 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)c2cc(C)sc2C)cc1OC ZINC000115959389 853275449 /nfs/dbraw/zinc/27/54/49/853275449.db2.gz MBVMBZKDUYEIBP-GFCCVEGCSA-N -1 3 411.549 4.018 20 0 HIADHM CC1CCC(C)(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000116471969 853307109 /nfs/dbraw/zinc/30/71/09/853307109.db2.gz HJXARJJWAZQKSA-UHFFFAOYSA-N -1 3 404.507 4.325 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccsc2)cc1 ZINC000195671133 853749516 /nfs/dbraw/zinc/74/95/16/853749516.db2.gz IOZQOCHUSWMJFO-UHFFFAOYSA-N -1 3 400.525 4.347 20 0 HIADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000195683820 853756969 /nfs/dbraw/zinc/75/69/69/853756969.db2.gz XOILKGUUXKSOPN-UHFFFAOYSA-N -1 3 408.508 4.491 20 0 HIADHM CC(C)[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1Cl)c1nc(-c2ccncc2)no1 ZINC000209708791 853811109 /nfs/dbraw/zinc/81/11/09/853811109.db2.gz ICHJBKYFXXEVTJ-QJWNTBNXSA-N -1 3 418.906 4.072 20 0 HIADHM C/C=C/C=C\C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000213220603 853824752 /nfs/dbraw/zinc/82/47/52/853824752.db2.gz QHRWSTBDCKSYAU-STMOGGTPSA-N -1 3 406.891 4.220 20 0 HIADHM CCOc1cc(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc(Cl)c1[O-] ZINC000215964615 853841391 /nfs/dbraw/zinc/84/13/91/853841391.db2.gz BHKZDGUJQBIIEE-GOSISDBHSA-N -1 3 418.921 4.020 20 0 HIADHM COc1cc(C=NNC(=O)c2ccc([O-])cc2)ccc1OC(=O)c1ccccc1Cl ZINC000254742133 854214336 /nfs/dbraw/zinc/21/43/36/854214336.db2.gz XLNCFLXNGJCGCL-UHFFFAOYSA-N -1 3 424.840 4.037 20 0 HIADHM Cc1ccc2c(c1)N(C(=O)c1cc(S(=O)(=O)[N-]c3ccccc3F)ccc1C)CC2 ZINC000261379584 854240311 /nfs/dbraw/zinc/24/03/11/854240311.db2.gz DSSSSQDDCBPYDZ-UHFFFAOYSA-N -1 3 424.497 4.446 20 0 HIADHM O=C(c1nnc2ccccc2c1[O-])N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000261442332 854264205 /nfs/dbraw/zinc/26/42/05/854264205.db2.gz MPQDSVVHOHQVFH-IBGZPJMESA-N -1 3 417.444 4.232 20 0 HIADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3cc(Cl)sc3Cl)cs2)o1 ZINC000261460464 854270745 /nfs/dbraw/zinc/27/07/45/854270745.db2.gz LRUJVFMKSCRXNZ-UHFFFAOYSA-N -1 3 423.324 4.427 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCc4c(Br)cccc4C3)nc2)n1 ZINC000301183106 854322098 /nfs/dbraw/zinc/32/20/98/854322098.db2.gz RGTAHCUAUGHQKM-UHFFFAOYSA-N -1 3 411.303 4.132 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(OC)cc3C(F)(F)F)nc2)n1 ZINC000301214814 854330296 /nfs/dbraw/zinc/33/02/96/854330296.db2.gz YVXMFACZFJTVMC-UHFFFAOYSA-N -1 3 404.392 4.446 20 0 HIADHM Cc1nc(-c2ccc(N3CCN(Cc4ccc(C(C)C)cc4)CC3)nc2)[n-]c(=O)c1C ZINC000301377857 854375504 /nfs/dbraw/zinc/37/55/04/854375504.db2.gz XAUQODTZULQQQE-UHFFFAOYSA-N -1 3 417.557 4.307 20 0 HIADHM Cc1nc(-c2ccc(N3CCC(c4nc5ccccc5[nH]4)CC3)nc2)[n-]c(=O)c1C ZINC000301380076 854376845 /nfs/dbraw/zinc/37/68/45/854376845.db2.gz YMGZUFIKLJIOTB-UHFFFAOYSA-N -1 3 400.486 4.121 20 0 HIADHM Cc1nc(-c2ccc(NCc3cc(F)ccc3Br)nc2)[n-]c(=O)c1C ZINC000301383317 854377936 /nfs/dbraw/zinc/37/79/36/854377936.db2.gz VRIOZBOZQRBJAO-UHFFFAOYSA-N -1 3 403.255 4.375 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)Cc3cc(C)nn3-c3ccccc3)nc2)n1 ZINC000301756481 854460675 /nfs/dbraw/zinc/46/06/75/854460675.db2.gz DRJFDGSXULTCJC-MRXNPFEDSA-N -1 3 414.513 4.344 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(OCc4ccc(F)cc4)CC3)nc2)n1 ZINC000301922639 854494157 /nfs/dbraw/zinc/49/41/57/854494157.db2.gz KBKFLZORXXVXHX-UHFFFAOYSA-N -1 3 408.477 4.131 20 0 HIADHM Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n(-c2ccncc2)n1 ZINC000437319060 862585630 /nfs/dbraw/zinc/58/56/30/862585630.db2.gz ATLHRRORQYJIBL-UHFFFAOYSA-N -1 3 416.812 4.049 20 0 HIADHM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CCCCCC1 ZINC000302920600 854680371 /nfs/dbraw/zinc/68/03/71/854680371.db2.gz JHSRFGGEZGVYAH-UHFFFAOYSA-N -1 3 404.507 4.421 20 0 HIADHM Cc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)c1[O-] ZINC000302948075 854692451 /nfs/dbraw/zinc/69/24/51/854692451.db2.gz LTWRWMHBKWEEBK-UHFFFAOYSA-N -1 3 414.458 4.201 20 0 HIADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000303005590 854719320 /nfs/dbraw/zinc/71/93/20/854719320.db2.gz PFPBZVASLYZYQC-LJQANCHMSA-N -1 3 424.497 4.256 20 0 HIADHM O=S(=O)([N-]Cc1nc(-c2ccccc2)cs1)c1cc(C(F)(F)F)ccc1F ZINC000303182420 854805237 /nfs/dbraw/zinc/80/52/37/854805237.db2.gz KMLIMHSNEHWWBH-UHFFFAOYSA-N -1 3 416.421 4.447 20 0 HIADHM O=S(=O)([N-][C@@H]1CCCc2cc(OC(F)F)ccc21)c1cc(F)ccc1Cl ZINC000303197499 854812836 /nfs/dbraw/zinc/81/28/36/854812836.db2.gz NLOLZWPZFHUPEG-OAHLLOKOSA-N -1 3 405.825 4.436 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C(/C)c2ccccc2Cl)cc1OC ZINC000303214414 854819427 /nfs/dbraw/zinc/81/94/27/854819427.db2.gz SLQMAJQZAXRYMV-QBFSEMIESA-N -1 3 408.907 4.152 20 0 HIADHM CCC(CC)c1nnc([N-]C(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)s1 ZINC000303403334 854910356 /nfs/dbraw/zinc/91/03/56/854910356.db2.gz RRJDSFMTCVPKJJ-UHFFFAOYSA-N -1 3 408.890 4.376 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3cccs3)CCCCC2)cc1OC ZINC000303733937 855159438 /nfs/dbraw/zinc/15/94/38/855159438.db2.gz FTBXIMBOLUBKCB-UHFFFAOYSA-N -1 3 422.572 4.359 20 0 HIADHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1cccs1 ZINC000303762948 855182028 /nfs/dbraw/zinc/18/20/28/855182028.db2.gz CYIZYAGIIQXDBF-GFCCVEGCSA-N -1 3 412.886 4.002 20 0 HIADHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3Cl)cc2[nH]1 ZINC000315849197 855379057 /nfs/dbraw/zinc/37/90/57/855379057.db2.gz AZQSDHCUYJWAJX-UHFFFAOYSA-N -1 3 400.685 4.088 20 0 HIADHM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1ccc(Br)cc1F ZINC000326249408 855408445 /nfs/dbraw/zinc/40/84/45/855408445.db2.gz USYYTAQNGPJZCF-QGZVFWFLSA-N -1 3 410.264 4.249 20 0 HIADHM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000384455471 855439414 /nfs/dbraw/zinc/43/94/14/855439414.db2.gz BDDJAOZRWNWIQO-SECBINFHSA-N -1 3 413.175 4.315 20 0 HIADHM O=S(=O)([N-]c1cc(Br)cnc1Cl)c1cccc(C(F)(F)F)c1 ZINC000389923159 855452710 /nfs/dbraw/zinc/45/27/10/855452710.db2.gz WUHAPAXMFCONKW-UHFFFAOYSA-N -1 3 415.618 4.317 20 0 HIADHM CCc1ccc(CC)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000437383413 862698110 /nfs/dbraw/zinc/69/81/10/862698110.db2.gz KBAKFCGUKGKDHV-UHFFFAOYSA-N -1 3 415.490 4.332 20 0 HIADHM COc1cccc(Cc2nnc([N-]C(=O)c3sc(-c4ccccn4)nc3C)s2)c1 ZINC000410284261 855901598 /nfs/dbraw/zinc/90/15/98/855901598.db2.gz OZWJPNWCUPAGPO-UHFFFAOYSA-N -1 3 423.523 4.217 20 0 HIADHM COc1cccc(Cc2nnc([N-]C(=O)c3nc(-c4ccco4)sc3C)s2)c1 ZINC000410298201 855913774 /nfs/dbraw/zinc/91/37/74/855913774.db2.gz OFICRZAVNDCKGP-UHFFFAOYSA-N -1 3 412.496 4.415 20 0 HIADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc(Br)c1OC ZINC000426673384 856406038 /nfs/dbraw/zinc/40/60/38/856406038.db2.gz XDRLWRVWVLBPOW-QGZVFWFLSA-N -1 3 408.292 4.080 20 0 HIADHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCc1ccc(C(=O)[O-])cc1 ZINC000426708494 856425130 /nfs/dbraw/zinc/42/51/30/856425130.db2.gz KGPSYAFKHMTESA-UHFFFAOYSA-N -1 3 414.303 4.240 20 0 HIADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1cc(Br)ccc1F ZINC000426723153 856435770 /nfs/dbraw/zinc/43/57/70/856435770.db2.gz KKLGDCZWAWSCIB-QGZVFWFLSA-N -1 3 412.324 4.107 20 0 HIADHM Cc1ccc(CN[C@@H](CSCCOc2ccccc2)C(=O)[O-])c(Br)c1 ZINC000426727635 856438097 /nfs/dbraw/zinc/43/80/97/856438097.db2.gz PHOXPLVVUOUGNF-SFHVURJKSA-N -1 3 424.360 4.113 20 0 HIADHM COc1ccc2cc(CN[C@H](CC(=O)[O-])c3cnn(-c4ccccc4)c3)ccc2c1 ZINC000426730676 856439094 /nfs/dbraw/zinc/43/90/94/856439094.db2.gz LYSPCRIIHFDYGV-HSZRJFAPSA-N -1 3 401.466 4.340 20 0 HIADHM CCOc1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc(Br)c1OC ZINC000426731255 856440431 /nfs/dbraw/zinc/44/04/31/856440431.db2.gz DJUQQYLODGMKBJ-SFHVURJKSA-N -1 3 422.319 4.389 20 0 HIADHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(Br)cc2OC)cc1 ZINC000426731279 856440580 /nfs/dbraw/zinc/44/05/80/856440580.db2.gz OKWOUJGNSRMSFP-KRWDZBQOSA-N -1 3 408.292 4.162 20 0 HIADHM COc1ccc(CN[C@H](CSCc2cccc3cccnc32)C(=O)[O-])c(Cl)c1 ZINC000426736127 856443349 /nfs/dbraw/zinc/44/33/49/856443349.db2.gz WIRDRXRQXREPRS-LJQANCHMSA-N -1 3 416.930 4.373 20 0 HIADHM O=C([O-])[C@@H](CSCCOc1ccccc1)NCc1c(Cl)oc2ccccc21 ZINC000426736833 856443894 /nfs/dbraw/zinc/44/38/94/856443894.db2.gz KLFBKTNRVZOVPH-QGZVFWFLSA-N -1 3 405.903 4.441 20 0 HIADHM COc1ccc(C(=O)Nc2cccc(CN[C@@H](C(=O)[O-])c3cccc(C)c3C)c2)cc1 ZINC000426737218 856443941 /nfs/dbraw/zinc/44/39/41/856443941.db2.gz MVBPTELXIMKXHR-HSZRJFAPSA-N -1 3 418.493 4.480 20 0 HIADHM COc1ccc(C(=O)Nc2cccc(CN[C@H](C(=O)[O-])c3cc(C)cc(C)c3)c2)cc1 ZINC000426755137 856458876 /nfs/dbraw/zinc/45/88/76/856458876.db2.gz WYESSKODJQZSFW-QHCPKHFHSA-N -1 3 418.493 4.480 20 0 HIADHM CNC(=O)c1ccc(CN[C@H](CC(=O)[O-])c2cccc(Oc3ccccc3)c2)cc1 ZINC000426767562 856466659 /nfs/dbraw/zinc/46/66/59/856466659.db2.gz ODHUGNGEIHVWRG-JOCHJYFZSA-N -1 3 404.466 4.144 20 0 HIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(C)c(Br)s2)cc1OC ZINC000426772840 856470699 /nfs/dbraw/zinc/47/06/99/856470699.db2.gz GTOMCVRLPNYGME-CYBMUJFWSA-N -1 3 414.321 4.142 20 0 HIADHM Cc1nc(COc2ccc(CN[C@@H](CC(=O)[O-])c3ccc(F)cc3)cc2)cs1 ZINC000426779719 856474483 /nfs/dbraw/zinc/47/44/83/856474483.db2.gz KTAMTRQORRJWOC-FQEVSTJZSA-N -1 3 400.475 4.475 20 0 HIADHM O=C([O-])[C@H](NCc1ccc(Br)c(F)c1)c1ccc(Br)cc1 ZINC000426792261 856481328 /nfs/dbraw/zinc/48/13/28/856481328.db2.gz INKOXPDNBFRDDI-CQSZACIVSA-N -1 3 417.072 4.266 20 0 HIADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000426796180 856483981 /nfs/dbraw/zinc/48/39/81/856483981.db2.gz AOHHNRVRPYNMMH-QFIPXVFZSA-N -1 3 401.466 4.340 20 0 HIADHM O=C([O-])C[C@H](NCc1cc2ccccc2[nH]c1=O)c1cccc(Br)c1 ZINC000426801916 856486444 /nfs/dbraw/zinc/48/64/44/856486444.db2.gz WLSWOIFBQCGOFQ-KRWDZBQOSA-N -1 3 401.260 4.009 20 0 HIADHM CCOc1c(Br)cc(CN[C@@H](C(=O)[O-])c2ccc(CC)cc2)cc1OC ZINC000426818882 856496335 /nfs/dbraw/zinc/49/63/35/856496335.db2.gz TVHWQTRDVRVLQK-GOSISDBHSA-N -1 3 422.319 4.334 20 0 HIADHM O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)NCc1csc(-c2cccs2)n1 ZINC000426821729 856497112 /nfs/dbraw/zinc/49/71/12/856497112.db2.gz WEQXHZCSYDHELO-CQSZACIVSA-N -1 3 410.467 4.259 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCO[C@H]3CCCc4ccccc43)nc2)n1 ZINC000427381364 856802660 /nfs/dbraw/zinc/80/26/60/856802660.db2.gz GBHRGGJFUTUSTI-NRFANRHFSA-N -1 3 404.514 4.703 20 0 HIADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1 ZINC000427749486 856937096 /nfs/dbraw/zinc/93/70/96/856937096.db2.gz PSSMMSUOKKFFLC-UHFFFAOYSA-N -1 3 410.923 4.000 20 0 HIADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccco1 ZINC000427804735 856962248 /nfs/dbraw/zinc/96/22/48/856962248.db2.gz ZFLWHQIZBFFSEF-GOSISDBHSA-N -1 3 411.401 4.375 20 0 HIADHM CC(C)n1ncc2cc(S(=O)(=O)[N-][C@@H](c3ccc(F)cc3)C(F)(F)F)ccc21 ZINC000427839467 856976638 /nfs/dbraw/zinc/97/66/38/856976638.db2.gz UTQFMDALQRCBNT-KRWDZBQOSA-N -1 3 415.412 4.338 20 0 HIADHM Cc1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c(Sc2ccccc2)c1 ZINC000427977961 857031094 /nfs/dbraw/zinc/03/10/94/857031094.db2.gz AOPIUZMBSGTFOA-UHFFFAOYSA-N -1 3 419.506 4.295 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(-c2ccco2)cc1F ZINC000428070552 857062597 /nfs/dbraw/zinc/06/25/97/857062597.db2.gz BNYNXTGDBTWDTL-UHFFFAOYSA-N -1 3 418.428 4.111 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)ccc2C)c(C)c1 ZINC000428082144 857066596 /nfs/dbraw/zinc/06/65/96/857066596.db2.gz XQUGDFMMJOQGAJ-CEQLMSFQSA-N -1 3 412.555 4.249 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCC(=O)c3cccc(OC)c3)c2)n1 ZINC000428168575 857095467 /nfs/dbraw/zinc/09/54/67/857095467.db2.gz BWSAUTAIHBHMSE-UHFFFAOYSA-N -1 3 419.481 4.412 20 0 HIADHM COC(=O)c1cc([N-]C(=O)c2cc(Br)c(F)cc2F)c(F)cc1F ZINC000428280035 857140198 /nfs/dbraw/zinc/14/01/98/857140198.db2.gz LOFWIVAFUYJJCE-UHFFFAOYSA-N -1 3 406.129 4.044 20 0 HIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000428358538 857171014 /nfs/dbraw/zinc/17/10/14/857171014.db2.gz NUAHYRFWYCAILK-LLVKDONJSA-N -1 3 417.296 4.279 20 0 HIADHM Cc1cccc2c1CN(C(=O)c1cccc(S(=O)(=O)[N-]c3ccccc3F)c1)CC2 ZINC000428460742 857210036 /nfs/dbraw/zinc/21/00/36/857210036.db2.gz OTMVDFLNAQSLPG-UHFFFAOYSA-N -1 3 424.497 4.133 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NC[C@H](C)Oc3ccc(Cl)cc3)cc2)cc(=O)[n-]1 ZINC000428689584 857297730 /nfs/dbraw/zinc/29/77/30/857297730.db2.gz CCEUQMABVDQDOX-ZDUSSCGKSA-N -1 3 412.877 4.400 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3cccc(C)c3C)nc(=O)c2c1C ZINC000428736151 857313800 /nfs/dbraw/zinc/31/38/00/857313800.db2.gz RXHFBPIXDYUSDP-HNNXBMFYSA-N -1 3 413.543 4.280 20 0 HIADHM O=C(NC/C=C\c1ccccc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430548246 858214703 /nfs/dbraw/zinc/21/47/03/858214703.db2.gz GNVBXWGBHCJUDY-DAXSKMNVSA-N -1 3 417.690 4.387 20 0 HIADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@H](C)C1 ZINC000430659082 858252967 /nfs/dbraw/zinc/25/29/67/858252967.db2.gz KUYFTXGIECSVSC-IQMDTDKHSA-N -1 3 411.727 4.499 20 0 HIADHM Cc1ccc(CCNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)cc1 ZINC000430666823 858258787 /nfs/dbraw/zinc/25/87/87/858258787.db2.gz ZPWMFNWJKIDKCK-UHFFFAOYSA-N -1 3 419.706 4.225 20 0 HIADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1)c1ccc(F)cc1 ZINC000431172914 858486123 /nfs/dbraw/zinc/48/61/23/858486123.db2.gz MIMGWSSPLSZPET-UHFFFAOYSA-N -1 3 424.375 4.296 20 0 HIADHM COC(=O)c1cc(C)nc2nc(S[C@H](C)CCSc3ccccc3)[n-]c(=O)c12 ZINC000431247521 858529818 /nfs/dbraw/zinc/52/98/18/858529818.db2.gz NZAYRISWITZIKV-CYBMUJFWSA-N -1 3 415.540 4.488 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(-c3cccnc3)cc2)s1 ZINC000437724222 863053926 /nfs/dbraw/zinc/05/39/26/863053926.db2.gz LOBAECGHBYNWNN-UHFFFAOYSA-N -1 3 423.357 4.360 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C(C)(F)F)cc2)cc1Cl ZINC000432276454 859080857 /nfs/dbraw/zinc/08/08/57/859080857.db2.gz IELMWWFWMDYDJK-UHFFFAOYSA-N -1 3 420.840 4.028 20 0 HIADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432279730 859083071 /nfs/dbraw/zinc/08/30/71/859083071.db2.gz IZPQTUQNPCXJGB-AWEZNQCLSA-N -1 3 407.841 4.363 20 0 HIADHM Cc1cc(F)cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000432735691 859326408 /nfs/dbraw/zinc/32/64/08/859326408.db2.gz NTIXUYLCJJCQKD-UHFFFAOYSA-N -1 3 402.422 4.326 20 0 HIADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 ZINC000432762577 859341796 /nfs/dbraw/zinc/34/17/96/859341796.db2.gz HZROIPRKWFEYPN-UHFFFAOYSA-N -1 3 419.890 4.052 20 0 HIADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cccc4ccccc43)c2)[n-]1 ZINC000432901105 859417759 /nfs/dbraw/zinc/41/77/59/859417759.db2.gz CWEAROIVZMBKGS-UHFFFAOYSA-N -1 3 415.453 4.123 20 0 HIADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cccc4ccccc43)c2)n[n-]1 ZINC000432901105 859417766 /nfs/dbraw/zinc/41/77/66/859417766.db2.gz CWEAROIVZMBKGS-UHFFFAOYSA-N -1 3 415.453 4.123 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCCN(c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000432952620 859445292 /nfs/dbraw/zinc/44/52/92/859445292.db2.gz YLMHKZYMPZAQBN-SFHVURJKSA-N -1 3 417.513 4.196 20 0 HIADHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000433117136 859528175 /nfs/dbraw/zinc/52/81/75/859528175.db2.gz NVUQEJVWBIOJGW-UHFFFAOYSA-N -1 3 412.914 4.460 20 0 HIADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)cccc21 ZINC000433170408 859551740 /nfs/dbraw/zinc/55/17/40/859551740.db2.gz WOTIZIZNSLDUSW-KRWDZBQOSA-N -1 3 414.449 4.033 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)C)c[n-]c12 ZINC000433226188 859578070 /nfs/dbraw/zinc/57/80/70/859578070.db2.gz LWEIZYZOIDRHJZ-UHFFFAOYSA-N -1 3 407.367 4.313 20 0 HIADHM O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cc(F)cc2n[n-]nc21 ZINC000433310380 859631376 /nfs/dbraw/zinc/63/13/76/859631376.db2.gz HMNRRKFDPVBKNE-UHFFFAOYSA-N -1 3 415.856 4.065 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1noc(-c2ccccc2F)n1 ZINC000433476481 859721065 /nfs/dbraw/zinc/72/10/65/859721065.db2.gz ZEJRUOAZKVZNCO-UHFFFAOYSA-N -1 3 421.837 4.062 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCOC2(CCSCC2)C1 ZINC000433512211 859745626 /nfs/dbraw/zinc/74/56/26/859745626.db2.gz VOJSWFDHYXGOQY-AWEZNQCLSA-N -1 3 415.964 4.118 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@@H](C)[C@H]3Cc4ccccc4O3)cc2)cc(=O)[n-]1 ZINC000433647352 859823062 /nfs/dbraw/zinc/82/30/62/859823062.db2.gz WNAYFRKGRIBQQF-LHSJRXKWSA-N -1 3 404.470 4.014 20 0 HIADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C)c(Br)s2)C2CC2)n1 ZINC000433832445 859920299 /nfs/dbraw/zinc/92/02/99/859920299.db2.gz SRBJTQRMJAFWGL-NSHDSACASA-N -1 3 407.380 4.014 20 0 HIADHM CCN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000433973114 860010845 /nfs/dbraw/zinc/01/08/45/860010845.db2.gz VTHFAVZCXWKZIS-JOCHJYFZSA-N -1 3 419.529 4.018 20 0 HIADHM C[N-]S(=O)(=O)c1cc(C(=O)N([C@@H](C)c2ccc3ccccc3c2)C2CC2)c(C)o1 ZINC000434137024 860135010 /nfs/dbraw/zinc/13/50/10/860135010.db2.gz QXEVHLKPHVVPQI-AWEZNQCLSA-N -1 3 412.511 4.015 20 0 HIADHM COc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000434218943 860203725 /nfs/dbraw/zinc/20/37/25/860203725.db2.gz UQLXCSHUBPNNDO-LSDHHAIUSA-N -1 3 420.918 4.134 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC(=O)c3ccc(OC)c(F)c3)c2)n1 ZINC000434238062 860220940 /nfs/dbraw/zinc/22/09/40/860220940.db2.gz URMMDQMSNAACIG-UHFFFAOYSA-N -1 3 423.444 4.161 20 0 HIADHM O=C(NC1CCC2(CC2)CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000434297735 860261274 /nfs/dbraw/zinc/26/12/74/860261274.db2.gz GGKJXLONZOTPOG-UHFFFAOYSA-N -1 3 402.491 4.079 20 0 HIADHM CCc1cc(=O)[n-]c(CN(CC(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)CC)n1 ZINC000434527037 860387036 /nfs/dbraw/zinc/38/70/36/860387036.db2.gz UFFAPAFBBBGLET-ZDUSSCGKSA-N -1 3 410.440 4.003 20 0 HIADHM O=S(=O)([N-]c1ccccc1Br)c1cc(F)ccc1Br ZINC000435143428 860663732 /nfs/dbraw/zinc/66/37/32/860663732.db2.gz QHCLQEPXSFDGDY-UHFFFAOYSA-N -1 3 409.074 4.152 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3nc(C(F)(F)F)cs3)cc2)cc(=O)[n-]1 ZINC000467767719 881585481 /nfs/dbraw/zinc/58/54/81/881585481.db2.gz GMONPYBOCXWSFY-UHFFFAOYSA-N -1 3 423.420 4.297 20 0 HIADHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000467800593 881624920 /nfs/dbraw/zinc/62/49/20/881624920.db2.gz NIIYQQZZJHMIMG-FUHWJXTLSA-N -1 3 417.424 4.352 20 0 HIADHM CC[C@@H]1CCN(Cc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[n-]2)C1 ZINC000438508709 863932656 /nfs/dbraw/zinc/93/26/56/863932656.db2.gz NEICNNQKGGCZAG-MRXNPFEDSA-N -1 3 424.570 4.394 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000438680585 864143894 /nfs/dbraw/zinc/14/38/94/864143894.db2.gz DHDZUMQRZZJFPA-ZWKOTPCHSA-N -1 3 419.481 4.082 20 0 HIADHM Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)NCc1ncccc1[O-] ZINC000467901206 881763632 /nfs/dbraw/zinc/76/36/32/881763632.db2.gz OIERKCKBIIEMQL-UHFFFAOYSA-N -1 3 405.433 4.110 20 0 HIADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N(CC1CC1)c1ccccc1 ZINC000438983126 864447210 /nfs/dbraw/zinc/44/72/10/864447210.db2.gz GYJSRDNKKVJGAZ-UHFFFAOYSA-N -1 3 413.474 4.011 20 0 HIADHM O=C(Nc1nc(/C=C\c2ccccc2)cs1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439061967 864512144 /nfs/dbraw/zinc/51/21/44/864512144.db2.gz WSNJBRNMGYPCMH-HSNDNRACSA-N -1 3 419.506 4.262 20 0 HIADHM CC(C)[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(C(F)(F)F)cc1 ZINC000439129553 864564792 /nfs/dbraw/zinc/56/47/92/864564792.db2.gz QPGFEVYKOGUODI-INIZCTEOSA-N -1 3 405.376 4.108 20 0 HIADHM CN(C)c1cc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c2ccccc2n1 ZINC000439234585 864650870 /nfs/dbraw/zinc/65/08/70/864650870.db2.gz NZZKKVUQJHUOCH-UHFFFAOYSA-N -1 3 416.355 4.148 20 0 HIADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1 ZINC000440302423 865563043 /nfs/dbraw/zinc/56/30/43/865563043.db2.gz HBJIJHWBGBRVDY-UHFFFAOYSA-N -1 3 400.422 4.331 20 0 HIADHM Cc1c(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)nnn1-c1ccccc1 ZINC000440316998 865587179 /nfs/dbraw/zinc/58/71/79/865587179.db2.gz OIKWQTGQAKUOLM-UHFFFAOYSA-N -1 3 408.512 4.139 20 0 HIADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000440711698 865871642 /nfs/dbraw/zinc/87/16/42/865871642.db2.gz OJEGPZBHVLFIDR-LLVKDONJSA-N -1 3 417.387 4.347 20 0 HIADHM CC(C)[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)N1CCCC1=O ZINC000440947774 866041222 /nfs/dbraw/zinc/04/12/22/866041222.db2.gz DMNSDVWGZACVGK-FQEVSTJZSA-N -1 3 409.511 4.254 20 0 HIADHM O=C(CCc1ccccc1)N1CCC(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC000440979822 866062131 /nfs/dbraw/zinc/06/21/31/866062131.db2.gz CWXSVEKJXVHOMC-UHFFFAOYSA-N -1 3 420.431 4.221 20 0 HIADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440989259 866068576 /nfs/dbraw/zinc/06/85/76/866068576.db2.gz SPKNAPLMHBHAIU-ACJLOTCBSA-N -1 3 420.431 4.349 20 0 HIADHM CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000441009159 866080936 /nfs/dbraw/zinc/08/09/36/866080936.db2.gz LJWBTGLMTZSSJT-INIZCTEOSA-N -1 3 414.811 4.458 20 0 HIADHM O=c1nc(CN2CCC[C@H]([C@@H]3CCOC3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000441275780 866351719 /nfs/dbraw/zinc/35/17/19/866351719.db2.gz IMCGTNDKYKPQOM-JKSUJKDBSA-N -1 3 413.518 4.039 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3cccc(SC)c3C)c2)n1 ZINC000441330375 866401754 /nfs/dbraw/zinc/40/17/54/866401754.db2.gz ZJYRWEAYMMPJNX-UHFFFAOYSA-N -1 3 422.510 4.019 20 0 HIADHM O=S(=O)([N-]CC1(c2ccc(C(F)(F)F)cc2)CC1)c1cnccc1C(F)(F)F ZINC000442749009 867663989 /nfs/dbraw/zinc/66/39/89/867663989.db2.gz GLODRLFCJCBAFO-UHFFFAOYSA-N -1 3 424.366 4.129 20 0 HIADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccc(F)c1)c1cnccc1C(F)(F)F ZINC000442767870 867669349 /nfs/dbraw/zinc/66/93/49/867669349.db2.gz SDIQEPDRLAUPAD-SFHVURJKSA-N -1 3 410.392 4.307 20 0 HIADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000442843645 867694681 /nfs/dbraw/zinc/69/46/81/867694681.db2.gz SQXBEIYDKXDPHZ-UHFFFAOYSA-N -1 3 413.243 4.385 20 0 HIADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccc(SC(C)C)cc1 ZINC000443074097 867811910 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404.532 4.105 20 0 HIADHM C[C@H]1CCC[C@H](c2noc(-c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)n2)C1 ZINC000547061233 940979017 /nfs/dbraw/zinc/97/90/17/940979017.db2.gz ZLZNEEKHSLDMFQ-STQMWFEESA-N -1 3 404.467 4.298 20 0 HIADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1C ZINC000547341164 941057232 /nfs/dbraw/zinc/05/72/32/941057232.db2.gz WUSIEFJBSALZRR-UHFFFAOYSA-N -1 3 407.797 4.255 20 0 HIADHM Cc1ccccc1[C@H](OC[C@@H](O)COc1ccc2c([O-])coc2c1)c1ccccc1 ZINC000549784724 941207433 /nfs/dbraw/zinc/20/74/33/941207433.db2.gz HFMKYHBCECMKEH-UQBPGWFLSA-N -1 3 404.462 4.116 20 0 HIADHM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c2ccccc21 ZINC000549816924 941208418 /nfs/dbraw/zinc/20/84/18/941208418.db2.gz CGJAIUOKDCNJHC-OAHLLOKOSA-N -1 3 410.470 4.390 20 0 HIADHM Cc1csc(-c2cccc(S(=O)(=O)[N-][C@H](c3nccs3)C(F)(F)F)c2)n1 ZINC000549916308 941237939 /nfs/dbraw/zinc/23/79/39/941237939.db2.gz RYDIAMBNNIPDRV-GFCCVEGCSA-N -1 3 419.475 4.157 20 0 HIADHM 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CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000032088508 847987240 /nfs/dbraw/zinc/98/72/40/847987240.db2.gz ALFPDEUTNNQUJS-UHFFFAOYSA-N -1 3 402.560 4.097 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC[C@H]3C[C@H]3C)ccc2C)c(C)c1 ZINC000032393339 848018202 /nfs/dbraw/zinc/01/82/02/848018202.db2.gz HYFHJQCGZRZWJD-DNVCBOLYSA-N -1 3 400.544 4.107 20 0 HIADHM O=S(=O)([N-]Cc1cccc(COCc2ccccc2)c1)c1ccc(F)cc1F ZINC000032441988 848027664 /nfs/dbraw/zinc/02/76/64/848027664.db2.gz CJTYINUKPKDZSN-UHFFFAOYSA-N -1 3 403.450 4.160 20 0 HIADHM CC(C)c1ccc([C@@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C(C)C)cc1 ZINC000436575666 861857866 /nfs/dbraw/zinc/85/78/66/861857866.db2.gz JIMIGGBSVYHVCG-QHCPKHFHSA-N -1 3 423.557 4.380 20 0 HIADHM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436582046 861859433 /nfs/dbraw/zinc/85/94/33/861859433.db2.gz CHYHDECBZFFXKH-UHFFFAOYSA-N -1 3 418.493 4.336 20 0 HIADHM O=C(C[C@H]1COCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cccs1 ZINC000436584925 861860216 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861869308 /nfs/dbraw/zinc/86/93/08/861869308.db2.gz UAELSQLGHHLNDW-UHFFFAOYSA-N -1 3 418.434 4.471 20 0 HIADHM CC[C@@](C)(NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nccs1 ZINC000436617181 861871496 /nfs/dbraw/zinc/87/14/96/861871496.db2.gz HSUOXLOWZPQIRD-AUSIDOKSSA-N -1 3 423.538 4.152 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCC1CCCCC1 ZINC000036309828 848148983 /nfs/dbraw/zinc/14/89/83/848148983.db2.gz MJQHPERZVZZAEL-UHFFFAOYSA-N -1 3 404.507 4.245 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc(F)c(F)c(F)c1 ZINC000436618687 861872694 /nfs/dbraw/zinc/87/26/94/861872694.db2.gz MJAUJDGHXTUUCF-LJQANCHMSA-N -1 3 414.383 4.309 20 0 HIADHM CCOc1cc(F)ccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436621797 861873659 /nfs/dbraw/zinc/87/36/59/861873659.db2.gz FCYNHZJPDWGHCE-NRFANRHFSA-N -1 3 422.456 4.430 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)CC)ccc2C)cc1 ZINC000037104592 848171820 /nfs/dbraw/zinc/17/18/20/848171820.db2.gz 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ZINC000436688084 861894477 /nfs/dbraw/zinc/89/44/77/861894477.db2.gz NINSFFBTMJLOLB-CQSZACIVSA-N -1 3 402.834 4.383 20 0 HIADHM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436712686 861899790 /nfs/dbraw/zinc/89/97/90/861899790.db2.gz BNMNBEAOFXDPLC-YADHBBJMSA-N -1 3 413.521 4.371 20 0 HIADHM COc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)c([O-])c1 ZINC000436712286 861899976 /nfs/dbraw/zinc/89/99/76/861899976.db2.gz FPHLZFBCPVRYHP-UHFFFAOYSA-N -1 3 419.264 4.170 20 0 HIADHM O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccc(Cl)cc1[O-] ZINC000436727440 861911203 /nfs/dbraw/zinc/91/12/03/861911203.db2.gz ZMTIMQCFRXZLFF-UHFFFAOYSA-N -1 3 422.916 4.015 20 0 HIADHM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044973187 848618043 /nfs/dbraw/zinc/61/80/43/848618043.db2.gz LUGGKZHGUBHNJO-SJORKVTESA-N -1 3 416.930 4.004 20 0 HIADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(CCCc2ccccc2)c1 ZINC000436737357 861923433 /nfs/dbraw/zinc/92/34/33/861923433.db2.gz QEGHQTDKXSOEOB-UHFFFAOYSA-N -1 3 417.509 4.119 20 0 HIADHM CC(C)CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000045794631 848729953 /nfs/dbraw/zinc/72/99/53/848729953.db2.gz DQOJYXRRBJCXLH-GFCCVEGCSA-N -1 3 421.390 4.379 20 0 HIADHM O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436754355 861936953 /nfs/dbraw/zinc/93/69/53/861936953.db2.gz IEELMWKJOFQKBL-UHFFFAOYSA-N -1 3 410.813 4.421 20 0 HIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(C(=O)N2CCCCC2)CC1 ZINC000436757500 861944194 /nfs/dbraw/zinc/94/41/94/861944194.db2.gz WMGZQMSEUDLTQZ-UHFFFAOYSA-N -1 3 408.498 4.049 20 0 HIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000436758557 861947235 /nfs/dbraw/zinc/94/72/35/861947235.db2.gz YGUIRESHNMJTBQ-KRWDZBQOSA-N -1 3 414.465 4.247 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(c2nnc3ccccn32)CC1 ZINC000436758529 861948117 /nfs/dbraw/zinc/94/81/17/861948117.db2.gz ZLQJUJSYNOXQAD-UHFFFAOYSA-N -1 3 412.493 4.046 20 0 HIADHM N#Cc1ccc(F)c(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000046451846 848850843 /nfs/dbraw/zinc/85/08/43/848850843.db2.gz CPLQSQLTENDRLT-QFIPXVFZSA-N -1 3 418.424 4.008 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000436769637 861961108 /nfs/dbraw/zinc/96/11/08/861961108.db2.gz KFXZIIOISKGGAC-LJQANCHMSA-N -1 3 403.482 4.068 20 0 HIADHM Cc1cc2occ(CC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)c2cc1C(C)C ZINC000436773094 861966242 /nfs/dbraw/zinc/96/62/42/861966242.db2.gz HRRTXCVPZSFIGA-UHFFFAOYSA-N -1 3 420.509 4.097 20 0 HIADHM COc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1OCc1ccncc1 ZINC000436779598 861972707 /nfs/dbraw/zinc/97/27/07/861972707.db2.gz WZSJOSVGXMARES-UHFFFAOYSA-N -1 3 420.465 4.341 20 0 HIADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000436789625 861981099 /nfs/dbraw/zinc/98/10/99/861981099.db2.gz LKTCBBNGWKMDIR-SFTDATJTSA-N -1 3 402.535 4.331 20 0 HIADHM COCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000436788182 861981277 /nfs/dbraw/zinc/98/12/77/861981277.db2.gz UVMKBLQGDLZIIW-CYBMUJFWSA-N -1 3 424.419 4.219 20 0 HIADHM COc1ccc2c(c1)CN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H](c1ccccc1)C2 ZINC000436788462 861982158 /nfs/dbraw/zinc/98/21/58/861982158.db2.gz ZMODVTHGKGJTIF-HSZRJFAPSA-N -1 3 416.477 4.299 20 0 HIADHM CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000048417504 849219279 /nfs/dbraw/zinc/21/92/79/849219279.db2.gz RTASDIMNHPPWFJ-IZZDOVSWSA-N -1 3 417.889 4.198 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC=C(c2ccco2)C1 ZINC000436815616 862000646 /nfs/dbraw/zinc/00/06/46/862000646.db2.gz LVOPRELQXUJDSO-JOCHJYFZSA-N -1 3 416.477 4.162 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)c2)n1 ZINC000049304308 849303233 /nfs/dbraw/zinc/30/32/33/849303233.db2.gz NLCSQCUDEYQKTA-UHFFFAOYSA-N -1 3 409.873 4.254 20 0 HIADHM CC(C)[C@@H]1N(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC12CCC2 ZINC000436833267 862012793 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402.516 4.323 20 0 HIADHM COc1ccc(-c2ncc(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)s2)cc1 ZINC000409641546 855577930 /nfs/dbraw/zinc/57/79/30/855577930.db2.gz YUZRLIZSXLMPEJ-UHFFFAOYSA-N -1 3 418.478 4.130 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)cc2)cc(=O)[n-]1 ZINC000409772885 855646767 /nfs/dbraw/zinc/64/67/67/855646767.db2.gz NDQZMWNDDFEVPA-XXBNENTESA-N -1 3 418.497 4.447 20 0 HIADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1csc(-c2ccc(Cl)cc2)n1 ZINC000409891721 855709677 /nfs/dbraw/zinc/70/96/77/855709677.db2.gz IODXKMNEPMFFRM-HNNXBMFYSA-N -1 3 412.964 4.091 20 0 HIADHM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000410327557 855930059 /nfs/dbraw/zinc/93/00/59/855930059.db2.gz JZANBUZKEXPCMO-UHFFFAOYSA-N -1 3 401.532 4.022 20 0 HIADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC000410420480 855989144 /nfs/dbraw/zinc/98/91/44/855989144.db2.gz GJLTWHCDPOWHLD-UHFFFAOYSA-N -1 3 419.305 4.415 20 0 HIADHM COC(=O)c1ccc(-c2nc(-c3cc(Cl)ccc3OCC(F)(F)F)no2)[n-]1 ZINC000426450460 856297532 /nfs/dbraw/zinc/29/75/32/856297532.db2.gz LXEMQGKFZODUJY-UHFFFAOYSA-N -1 3 401.728 4.113 20 0 HIADHM CCCOc1ccc(Br)cc1-c1noc(-c2ccc(C(=O)OC)[n-]2)n1 ZINC000426457216 856299741 /nfs/dbraw/zinc/29/97/41/856299741.db2.gz XWJRSEDXDDLEKT-UHFFFAOYSA-N -1 3 406.236 4.070 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(OCCc4ccccc4)nc3)c[n-]c12 ZINC000426477090 856312436 /nfs/dbraw/zinc/31/24/36/856312436.db2.gz ZRHXIWQVWOBVIU-UHFFFAOYSA-N -1 3 417.440 4.244 20 0 HIADHM O=C([O-])[C@@H](CNCc1ccc(-c2nc3ccccc3s2)o1)Oc1ccc(F)cc1 ZINC000426653183 856394423 /nfs/dbraw/zinc/39/44/23/856394423.db2.gz ZCEXWBJNNCXGMY-GOSISDBHSA-N -1 3 412.442 4.317 20 0 HIADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)ccc1OC(F)F ZINC000426725858 856437218 /nfs/dbraw/zinc/43/72/18/856437218.db2.gz FNSOKMZCXAFIAJ-INIZCTEOSA-N -1 3 403.784 4.395 20 0 HIADHM CCOc1cccc(CN[C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])n1 ZINC000426737428 856444278 /nfs/dbraw/zinc/44/42/78/856444278.db2.gz NVAYBIZNVKVSKO-KRWDZBQOSA-N -1 3 417.918 4.043 20 0 HIADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OCc1ccncc1 ZINC000426742897 856448414 /nfs/dbraw/zinc/44/84/14/856448414.db2.gz RHZWFQGRNBLVGP-NRFANRHFSA-N -1 3 412.873 4.238 20 0 HIADHM O=C([O-])[C@H](NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(Cl)c1 ZINC000426745303 856449796 /nfs/dbraw/zinc/44/97/96/856449796.db2.gz UBWNITLFWZITDQ-QGZVFWFLSA-N -1 3 409.795 4.460 20 0 HIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000426791790 856480191 /nfs/dbraw/zinc/48/01/91/856480191.db2.gz JSQUXBRQQQBISF-GOSISDBHSA-N -1 3 419.403 4.205 20 0 HIADHM COc1cc(C)c(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1OC ZINC000426808993 856489924 /nfs/dbraw/zinc/48/99/24/856489924.db2.gz OMHZTUHYBGIJTB-INIZCTEOSA-N -1 3 408.292 4.080 20 0 HIADHM O=C([O-])[C@H](NCc1ccc(Br)c(Br)c1)c1cccc(F)c1 ZINC000426828847 856503125 /nfs/dbraw/zinc/50/31/25/856503125.db2.gz WXCBKXJXXXGCIS-CQSZACIVSA-N -1 3 417.072 4.266 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cc(Br)ccc2Cl)c1 ZINC000427793007 856956490 /nfs/dbraw/zinc/95/64/90/856956490.db2.gz BTGUKQSQWZQNMM-UHFFFAOYSA-N -1 3 411.683 4.039 20 0 HIADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccccc1Br)c1ccco1 ZINC000427801608 856961508 /nfs/dbraw/zinc/96/15/08/856961508.db2.gz BRKHURMSTWDWCJ-SFHVURJKSA-N -1 3 422.300 4.119 20 0 HIADHM COc1cc(C(=O)N(C)Cc2cc(Br)ccc2Cl)cc(OC)c1[O-] ZINC000427809053 856964861 /nfs/dbraw/zinc/96/48/61/856964861.db2.gz SMLCWCURBIQMSX-UHFFFAOYSA-N -1 3 414.683 4.098 20 0 HIADHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000428100555 857071774 /nfs/dbraw/zinc/07/17/74/857071774.db2.gz GDEAPDPEUMIKJD-CCWDJLKJSA-N -1 3 422.909 4.117 20 0 HIADHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3ccc(F)c(Cl)c3)[n-]c(=O)c21 ZINC000428257574 857128501 /nfs/dbraw/zinc/12/85/01/857128501.db2.gz BDKZGSFHRXFWQG-VIFPVBQESA-N -1 3 407.854 4.471 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC3(C)CC3)ccc2C)cc1 ZINC000428355523 857170128 /nfs/dbraw/zinc/17/01/28/857170128.db2.gz PZXGDIRIHHJVDA-UHFFFAOYSA-N -1 3 402.516 4.323 20 0 HIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000428668700 857292968 /nfs/dbraw/zinc/29/29/68/857292968.db2.gz NUAHYRFWYCAILK-NSHDSACASA-N -1 3 417.296 4.279 20 0 HIADHM CC(C)c1noc(-c2ccccc2C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000428855397 857373450 /nfs/dbraw/zinc/37/34/50/857373450.db2.gz IHNDWPPHMGWQBW-UHFFFAOYSA-N -1 3 416.275 4.258 20 0 HIADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1c(C)noc1C ZINC000429859497 857913787 /nfs/dbraw/zinc/91/37/87/857913787.db2.gz JKVWEMVBAJSDNW-GFCCVEGCSA-N -1 3 407.717 4.137 20 0 HIADHM C[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C[C@@H](C)C1 ZINC000430584156 858227551 /nfs/dbraw/zinc/22/75/51/858227551.db2.gz OCJKIQBZMFDHLH-MNOVXSKESA-N -1 3 411.727 4.452 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C[C@@H](C)O)c2ccccc2)c1Cl ZINC000431289203 858548018 /nfs/dbraw/zinc/54/80/18/858548018.db2.gz WGVLUNGRYDMFCI-UKRRQHHQSA-N -1 3 402.343 4.135 20 0 HIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000432067909 858964103 /nfs/dbraw/zinc/96/41/03/858964103.db2.gz CYWQBHQYVHOFPT-UHFFFAOYSA-N -1 3 406.660 4.245 20 0 HIADHM O=C1CCCc2cc(S(=O)(=O)[N-][C@@H](c3cccc(F)c3F)C(F)(F)F)ccc21 ZINC000432210867 859048622 /nfs/dbraw/zinc/04/86/22/859048622.db2.gz RTNYGEGGLLVKDG-KRWDZBQOSA-N -1 3 419.371 4.066 20 0 HIADHM O=S(=O)([N-][C@@H](c1ccccc1)C1(CO)CCC1)c1c(Cl)cccc1Cl ZINC000432289116 859087423 /nfs/dbraw/zinc/08/74/23/859087423.db2.gz LNFHCTZKVJAORU-KRWDZBQOSA-N -1 3 400.327 4.176 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cscc3Br)c2)n1 ZINC000432407976 859149973 /nfs/dbraw/zinc/14/99/73/859149973.db2.gz QWTAFDMGHHDBLX-UHFFFAOYSA-N -1 3 418.316 4.417 20 0 HIADHM C[C@H]1CC2(CCC2)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000432614089 859256230 /nfs/dbraw/zinc/25/62/30/859256230.db2.gz FPHKSLQRJVUQGN-HNNXBMFYSA-N -1 3 402.491 4.031 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(OCC(F)(F)F)c1 ZINC000433014323 859478503 /nfs/dbraw/zinc/47/85/03/859478503.db2.gz RSPSLNSYGWTJSE-UHFFFAOYSA-N -1 3 404.182 4.026 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(C(=O)N4CCCCCC4)cc3)c[n-]c12 ZINC000433312347 859632751 /nfs/dbraw/zinc/63/27/51/859632751.db2.gz LNSCJPWYILAYJO-UHFFFAOYSA-N -1 3 421.472 4.244 20 0 HIADHM CCOCc1ccccc1C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433652549 859824957 /nfs/dbraw/zinc/82/49/57/859824957.db2.gz DHGWAVZBLRAIJZ-UHFFFAOYSA-N -1 3 424.769 4.179 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(C)C3CCC(C(C)C)CC3)c2)n1 ZINC000433678111 859835977 /nfs/dbraw/zinc/83/59/77/859835977.db2.gz OFHXARQSPQBMEQ-UHFFFAOYSA-N -1 3 424.545 4.023 20 0 HIADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)c(=O)[n-]1 ZINC000433724712 859855512 /nfs/dbraw/zinc/85/55/12/859855512.db2.gz PDTMMTYAZBEIOY-INIZCTEOSA-N -1 3 405.498 4.188 20 0 HIADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCc2sccc21 ZINC000433769878 859885076 /nfs/dbraw/zinc/88/50/76/859885076.db2.gz YTVUFJBTSPDBCU-LBPRGKRZSA-N -1 3 418.462 4.197 20 0 HIADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2cccc(OCc3ccccc3)c2)c(=O)[n-]1 ZINC000434016978 860041760 /nfs/dbraw/zinc/04/17/60/860041760.db2.gz PDTMMTYAZBEIOY-MRXNPFEDSA-N -1 3 405.498 4.188 20 0 HIADHM O=C([N-]c1c(F)cccc1Br)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000434147268 860144161 /nfs/dbraw/zinc/14/41/61/860144161.db2.gz DRUDDESDCRYNOG-UHFFFAOYSA-N -1 3 403.207 4.430 20 0 HIADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2c(C)cccc2C)c(C)o1 ZINC000434207992 860194811 /nfs/dbraw/zinc/19/48/11/860194811.db2.gz VPBVZGKCWXPKGC-UHFFFAOYSA-N -1 3 414.483 4.158 20 0 HIADHM COc1cc(C(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)cc(OC)c1[O-] ZINC000434377730 860322938 /nfs/dbraw/zinc/32/29/38/860322938.db2.gz AVZBGHVNVLSJMZ-INIZCTEOSA-N -1 3 407.466 4.479 20 0 HIADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c(Cl)c1 ZINC000435143987 860663407 /nfs/dbraw/zinc/66/34/07/860663407.db2.gz YLKFMNIBTJCXPU-UHFFFAOYSA-N -1 3 421.675 4.001 20 0 HIADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000435147649 860665032 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HIADHM COc1cccc(-c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)no2)c1[O-] ZINC000445371951 869445192 /nfs/dbraw/zinc/44/51/92/869445192.db2.gz ZYUMFLKIIJTDDL-UHFFFAOYSA-N -1 3 417.421 4.424 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCCC4(CCCC4)C3)nc(=O)c2c1C ZINC000445870445 869865823 /nfs/dbraw/zinc/86/58/23/869865823.db2.gz AHVPYQRUPTZNNC-CQSZACIVSA-N -1 3 403.548 4.187 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC[C@@H](C(C)C)C1 ZINC000446515498 870433176 /nfs/dbraw/zinc/43/31/76/870433176.db2.gz RYOMQZCRHPGSTL-MRXNPFEDSA-N -1 3 404.507 4.053 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000446919306 870834235 /nfs/dbraw/zinc/83/42/35/870834235.db2.gz FSSCHRMNLPTAPT-ACJLOTCBSA-N -1 3 415.964 4.005 20 0 HIADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cc(Br)sc2C)C2CC2)n1 ZINC000447199907 871093414 /nfs/dbraw/zinc/09/34/14/871093414.db2.gz MVYBUNCJPOSFLA-GFCCVEGCSA-N -1 3 407.380 4.014 20 0 HIADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)c(C)c2)cc1 ZINC000447269213 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413.522 4.081 20 0 HIADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(C(C)(C)CC)cc3)CC2)[n-]1 ZINC000448124472 871996808 /nfs/dbraw/zinc/99/68/08/871996808.db2.gz XVKBLXWNGGENOM-UHFFFAOYSA-N -1 3 413.522 4.081 20 0 HIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc(C)n3C)c2)cc1 ZINC000448127890 871999732 /nfs/dbraw/zinc/99/97/32/871999732.db2.gz ZYHNVXIQFQXLCC-UHFFFAOYSA-N -1 3 414.531 4.160 20 0 HIADHM Cc1csc(C2([N-]S(=O)(=O)c3cc(Br)sc3C)CCCC2)n1 ZINC000460558140 873282053 /nfs/dbraw/zinc/28/20/53/873282053.db2.gz JTOVAHHAOBBPRK-UHFFFAOYSA-N -1 3 421.407 4.332 20 0 HIADHM O=c1[n-]c(SCc2cncc(C(F)(F)F)c2)nc2c1cnn2-c1ccccc1 ZINC000460860900 873762812 /nfs/dbraw/zinc/76/28/12/873762812.db2.gz GXPUOBHRECOOGG-UHFFFAOYSA-N -1 3 403.389 4.227 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ncc(-c2ccccc2)cn1 ZINC000460899527 873808709 /nfs/dbraw/zinc/80/87/09/873808709.db2.gz BEVVNLQQEKLHQU-UHFFFAOYSA-N -1 3 413.886 4.330 20 0 HIADHM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468648245 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HIADHM CCC(C)(C)c1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000468740716 882837427 /nfs/dbraw/zinc/83/74/27/882837427.db2.gz YVIAQCMJRUHEFC-UHFFFAOYSA-N -1 3 404.514 4.399 20 0 HIADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000461496001 874566682 /nfs/dbraw/zinc/56/66/82/874566682.db2.gz MNYPMXGOJMJRLM-QRWLVFNGSA-N -1 3 402.491 4.031 20 0 HIADHM Cc1ccc(CN(C)C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)o1 ZINC000468854455 882891723 /nfs/dbraw/zinc/89/17/23/882891723.db2.gz GPNJUWBZTVHXTN-UHFFFAOYSA-N -1 3 409.667 4.118 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1nc(C(F)(F)F)cs1 ZINC000462083972 875193859 /nfs/dbraw/zinc/19/38/59/875193859.db2.gz MLHQFJWEECFCOI-RXMQYKEDSA-N -1 3 410.386 4.282 20 0 HIADHM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1nc(C(F)(F)F)cs1 ZINC000462109001 875214799 /nfs/dbraw/zinc/21/47/99/875214799.db2.gz NXUAVHPJNSDKCG-UHFFFAOYSA-N -1 3 424.413 4.456 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3CCN([C@H](C)c4ccsc4)CC3)cc2)cc(=O)[n-]1 ZINC000462244392 875361182 /nfs/dbraw/zinc/36/11/82/875361182.db2.gz DHGSVBTWOCMKMJ-OAHLLOKOSA-N -1 3 423.542 4.130 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)C2CC2)s1 ZINC000462338812 875454073 /nfs/dbraw/zinc/45/40/73/875454073.db2.gz GAAMWLWYGMPXQO-OAHLLOKOSA-N -1 3 400.363 4.119 20 0 HIADHM O=S(=O)([N-][C@H]1CCSc2ccc(Cl)cc21)c1ccc(Br)cn1 ZINC000462459316 875566688 /nfs/dbraw/zinc/56/66/88/875566688.db2.gz MPLFUBTZURBSGZ-LBPRGKRZSA-N -1 3 419.753 4.013 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2CCCCC2)c(Br)c1 ZINC000462481292 875587853 /nfs/dbraw/zinc/58/78/53/875587853.db2.gz RHRWCPUACVYYSF-UHFFFAOYSA-N -1 3 411.159 4.131 20 0 HIADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccccc2C(C)(C)C)n1 ZINC000462665311 875765881 /nfs/dbraw/zinc/76/58/81/875765881.db2.gz IIQXDVLXVLSXKP-AWEZNQCLSA-N -1 3 415.515 4.082 20 0 HIADHM Cn1ncc2c1ncc(C(=O)N1CCC(c3cccc(Cl)c3Cl)CC1)c2[O-] ZINC000462767585 875828677 /nfs/dbraw/zinc/82/86/77/875828677.db2.gz SHAAEERUCYDWLD-UHFFFAOYSA-N -1 3 405.285 4.001 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](Cc4ccc(OC)cc4)C3)nc2)n1 ZINC000462889982 875914892 /nfs/dbraw/zinc/91/48/92/875914892.db2.gz WDZJGPRQOZTAAL-GOSISDBHSA-N -1 3 404.514 4.274 20 0 HIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2cccc(Br)c2)CCCCC1 ZINC000463177922 876233927 /nfs/dbraw/zinc/23/39/27/876233927.db2.gz OFKWFYMLXFJXHE-UHFFFAOYSA-N -1 3 417.229 4.427 20 0 HIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2cccc(Br)c2)CCCCC1 ZINC000463177922 876233943 /nfs/dbraw/zinc/23/39/43/876233943.db2.gz OFKWFYMLXFJXHE-UHFFFAOYSA-N -1 3 417.229 4.427 20 0 HIADHM O=C(NCCc1cccc(F)c1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000468955431 883021899 /nfs/dbraw/zinc/02/18/99/883021899.db2.gz NUAHPXVSDAKQCH-UHFFFAOYSA-N -1 3 423.669 4.056 20 0 HIADHM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000463463724 876523201 /nfs/dbraw/zinc/52/32/01/876523201.db2.gz XMYZLTBESBPHJJ-GOSISDBHSA-N -1 3 418.497 4.408 20 0 HIADHM Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000463722466 876841938 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880254613 /nfs/dbraw/zinc/25/46/13/880254613.db2.gz RBRKVEHSERZEKJ-UHFFFAOYSA-N -1 3 400.603 4.321 20 0 HIADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCCc2sccc21 ZINC000466544138 880318943 /nfs/dbraw/zinc/31/89/43/880318943.db2.gz NIKAGTAJOMWUIE-GFCCVEGCSA-N -1 3 420.325 4.014 20 0 HIADHM O=C(NCc1cccc2cc[nH]c21)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000467029331 880828505 /nfs/dbraw/zinc/82/85/05/880828505.db2.gz SLKHFNGDZFEQIJ-UHFFFAOYSA-N -1 3 423.469 4.038 20 0 HIADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@H]3C)cc2C)ccc1C ZINC000467426390 881216558 /nfs/dbraw/zinc/21/65/58/881216558.db2.gz DQOZLDDKHGCYBK-QGZVFWFLSA-N -1 3 415.559 4.441 20 0 HIADHM Cc1nn(C(C)C)cc1CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000467452485 881257247 /nfs/dbraw/zinc/25/72/47/881257247.db2.gz AKYUMVHBHHIALC-UHFFFAOYSA-N -1 3 412.559 4.205 20 0 HIADHM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000467517417 881331956 /nfs/dbraw/zinc/33/19/56/881331956.db2.gz ULWUPVPEFIXWBJ-MLGOLLRUSA-N -1 3 422.469 4.001 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cn(-c4ccccc4)nc3C(C)(C)C)nc21 ZINC000503592309 912680495 /nfs/dbraw/zinc/68/04/95/912680495.db2.gz YXWXOSWLJDIBLU-UHFFFAOYSA-N -1 3 417.469 4.085 20 0 HIADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1)O[C@H](C)C2 ZINC000469105869 883197517 /nfs/dbraw/zinc/19/75/17/883197517.db2.gz ZHCMOUCDAKKMKR-LIVBEALHSA-N -1 3 413.489 4.248 20 0 HIADHM O=C(N[C@H]1CCCc2occc21)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469519937 883785948 /nfs/dbraw/zinc/78/59/48/883785948.db2.gz BDBKWPFOAQIZIH-AWEZNQCLSA-N -1 3 421.678 4.344 20 0 HIADHM C[C@@H](c1ccccn1)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469627362 883839371 /nfs/dbraw/zinc/83/93/71/883839371.db2.gz LCCKABLBMHPZLD-JTQLQIEISA-N -1 3 420.694 4.172 20 0 HIADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(Cc3ccco3)C3CCN(C)CC3)n2)c1 ZINC000469639946 883845188 /nfs/dbraw/zinc/84/51/88/883845188.db2.gz PKTCTGMJIYMBMI-UHFFFAOYSA-N -1 3 422.529 4.031 20 0 HIADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000469721157 883886534 /nfs/dbraw/zinc/88/65/34/883886534.db2.gz NYKXFKDDNRCDHZ-PHIMTYICSA-N -1 3 409.711 4.206 20 0 HIADHM COc1ccc(-c2ncc(C(=O)[N-]c3ncn(C4CCCCC4)n3)s2)cc1OC ZINC000469797880 883972852 /nfs/dbraw/zinc/97/28/52/883972852.db2.gz LJGNTYVAAPCMRH-UHFFFAOYSA-N -1 3 413.503 4.176 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccc(Cn2ccnc2)cc1 ZINC000470603853 885031980 /nfs/dbraw/zinc/03/19/80/885031980.db2.gz WPNSKCZYDRZLOR-UHFFFAOYSA-N -1 3 415.902 4.118 20 0 HIADHM C[C@@H](CN(C)C(=O)c1cc(=O)c2ccccc2[n-]1)Oc1ccc(Cl)c(Cl)c1 ZINC000470722023 885166917 /nfs/dbraw/zinc/16/69/17/885166917.db2.gz FGGQDUTVSCDCGR-LBPRGKRZSA-N -1 3 405.281 4.374 20 0 HIADHM CC(C)CCC1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000470767275 885231042 /nfs/dbraw/zinc/23/10/42/885231042.db2.gz UZTJMLUUVXNIJW-UHFFFAOYSA-N -1 3 421.538 4.243 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c1Cl ZINC000470777234 885246770 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HIADHM Cc1cnc([N-]S(=O)(=O)c2ccc(Br)cc2C)c(Br)c1 ZINC000471943174 886744856 /nfs/dbraw/zinc/74/48/56/886744856.db2.gz MEIDMBKKZWLEFN-UHFFFAOYSA-N -1 3 420.126 4.024 20 0 HIADHM CS(=O)(=O)c1cccc([C@@H](NCc2cc([O-])cc(F)c2)c2cc(F)ccc2F)c1 ZINC000472040182 886857861 /nfs/dbraw/zinc/85/78/61/886857861.db2.gz ZYZIULYSLKHIGU-OAQYLSRUSA-N -1 3 421.440 4.092 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NCCc3cn(C)c4cc(F)ccc34)cc2)cc(=O)[n-]1 ZINC000472147711 886947110 /nfs/dbraw/zinc/94/71/10/886947110.db2.gz QBBFAELPKJRISC-UHFFFAOYSA-N -1 3 419.460 4.153 20 0 HIADHM O=C(NCc1ncccc1[O-])N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000472194795 886996071 /nfs/dbraw/zinc/99/60/71/886996071.db2.gz VJGPQIIJNYNAGL-GFCCVEGCSA-N -1 3 407.314 4.299 20 0 HIADHM O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1cc([O-])c2ccccc2c1 ZINC000472403896 887252308 /nfs/dbraw/zinc/25/23/08/887252308.db2.gz CDHNTYFWKCVYCL-KRWDZBQOSA-N -1 3 421.497 4.412 20 0 HIADHM O=C(NCc1ncccc1[O-])c1cccnc1Sc1ccc(Br)cc1 ZINC000473637112 888379440 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O=C(NCc1ccc([O-])c(Br)c1)Nc1ccccc1OCC(F)(F)F ZINC000482718289 898319594 /nfs/dbraw/zinc/31/95/94/898319594.db2.gz BMFJTJNZIRFQMZ-UHFFFAOYSA-N -1 3 419.197 4.418 20 0 HIADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482980872 898617508 /nfs/dbraw/zinc/61/75/08/898617508.db2.gz QUWFDXZZKKNAIN-GFCCVEGCSA-N -1 3 420.307 4.005 20 0 HIADHM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483016159 898672151 /nfs/dbraw/zinc/67/21/51/898672151.db2.gz QUHLCHPPGDWZQI-NSHDSACASA-N -1 3 424.452 4.124 20 0 HIADHM COc1ccccc1-c1ccc([C@@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483080144 898764009 /nfs/dbraw/zinc/76/40/09/898764009.db2.gz SQVLBYXFHZYVOC-GFCCVEGCSA-N -1 3 419.407 4.060 20 0 HIADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000483232865 898877209 /nfs/dbraw/zinc/87/72/09/898877209.db2.gz SPTIGCHNYBZSBG-LLVKDONJSA-N -1 3 407.371 4.190 20 0 HIADHM Cc1cnc(-c2cccc(NC(=O)NCc3ccc([O-])c(Br)c3)c2)o1 ZINC000483342875 898974474 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ZINC000501136845 910317098 /nfs/dbraw/zinc/31/70/98/910317098.db2.gz CUDHQKNMGFPKFN-UHFFFAOYSA-N -1 3 422.425 4.190 20 0 HIADHM COc1ccc(Cc2nnc(SCc3nc4c5ccccc5oc4c(=O)[n-]3)o2)cc1 ZINC000501340511 910478302 /nfs/dbraw/zinc/47/83/02/910478302.db2.gz JUDZEURGSJLEBT-UHFFFAOYSA-N -1 3 420.450 4.356 20 0 HIADHM Cc1ccc(F)c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1F ZINC000501484728 910599792 /nfs/dbraw/zinc/59/97/92/910599792.db2.gz YTIAAKORIRHSNA-UHFFFAOYSA-N -1 3 408.832 4.123 20 0 HIADHM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(OCCC(C)C)cc3)ccc21 ZINC000501805936 910856582 /nfs/dbraw/zinc/85/65/82/910856582.db2.gz YENKLFLYUKZUQO-UHFFFAOYSA-N -1 3 416.543 4.211 20 0 HIADHM Clc1cccc(-c2csc([N-]c3ncnc4c3cnn4-c3ncccn3)n2)c1 ZINC000502708476 911741248 /nfs/dbraw/zinc/74/12/48/911741248.db2.gz KFHGLDWNGIZJNL-UHFFFAOYSA-N -1 3 406.862 4.126 20 0 HIADHM O=S(=O)([N-][C@H](c1nccs1)c1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000507502085 916268081 /nfs/dbraw/zinc/26/80/81/916268081.db2.gz QPYWHVRDRKSRRT-HNNXBMFYSA-N -1 3 416.421 4.369 20 0 HIADHM CNC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)ccc1F ZINC000507613540 916370789 /nfs/dbraw/zinc/37/07/89/916370789.db2.gz RTKSMFWCOPVHTO-UHFFFAOYSA-N -1 3 407.511 4.292 20 0 HIADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508130979 916950850 /nfs/dbraw/zinc/95/08/50/916950850.db2.gz JGYHICZLPZEMMQ-GOSISDBHSA-N -1 3 412.433 4.375 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000508399867 917193086 /nfs/dbraw/zinc/19/30/86/917193086.db2.gz HZJRQLJNMNSSBB-OAHLLOKOSA-N -1 3 404.507 4.243 20 0 HIADHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000509249939 917943424 /nfs/dbraw/zinc/94/34/24/917943424.db2.gz SRADMTFNNFNVRG-MRXNPFEDSA-N -1 3 414.449 4.200 20 0 HIADHM COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000509343943 918010236 /nfs/dbraw/zinc/01/02/36/918010236.db2.gz MZFFKXINMWWSHG-UHFFFAOYSA-N -1 3 400.438 4.001 20 0 HIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(F)(F)F)cc2)cc1 ZINC000509382358 918048464 /nfs/dbraw/zinc/04/84/64/918048464.db2.gz CDORYNIGTBNNFN-UHFFFAOYSA-N -1 3 400.422 4.331 20 0 HIADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000509422926 918082294 /nfs/dbraw/zinc/08/22/94/918082294.db2.gz LWQBXLCQFOJPOZ-BEFAXECRSA-N -1 3 404.507 4.325 20 0 HIADHM O=c1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c2ccccc2[nH]1 ZINC000509462941 918112695 /nfs/dbraw/zinc/11/26/95/918112695.db2.gz KTAYTDLITOVDLT-UHFFFAOYSA-N -1 3 416.808 4.091 20 0 HIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ncccn3)cc2C)cc1 ZINC000509535248 918182957 /nfs/dbraw/zinc/18/29/57/918182957.db2.gz CZZHOWYXBPTTRV-UHFFFAOYSA-N -1 3 401.513 4.136 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C(C)C)ccc2Cl)c(C)s1 ZINC000509589916 918239155 /nfs/dbraw/zinc/23/91/55/918239155.db2.gz LFEVLZSDQQPNTP-UHFFFAOYSA-N -1 3 400.953 4.300 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@@H](C)[C@H]3C)ccc2C)c(C)c1 ZINC000509636501 918278889 /nfs/dbraw/zinc/27/88/89/918278889.db2.gz QCUYXRPBDJPHOX-QZTJIDSGSA-N -1 3 400.544 4.201 20 0 HIADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)N2CCCC2)o1 ZINC000509695300 918325613 /nfs/dbraw/zinc/32/56/13/918325613.db2.gz DAFRNDVXPOQLRO-OAHLLOKOSA-N -1 3 403.331 4.010 20 0 HIADHM CCOc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1Cl ZINC000509739553 918360945 /nfs/dbraw/zinc/36/09/45/918360945.db2.gz ILHQEVZCGJLBLA-UHFFFAOYSA-N -1 3 412.877 4.176 20 0 HIADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1Oc1ccccc1 ZINC000510114763 918676888 /nfs/dbraw/zinc/67/68/88/918676888.db2.gz ALCIXPKKZMAPBC-AWEZNQCLSA-N -1 3 401.422 4.245 20 0 HIADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)n1 ZINC000510155458 918707730 /nfs/dbraw/zinc/70/77/30/918707730.db2.gz AUUGBSCPIQUBDZ-UHFFFAOYSA-N -1 3 415.515 4.300 20 0 HIADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000510638643 919081429 /nfs/dbraw/zinc/08/14/29/919081429.db2.gz NRDSDRJATBKOFY-MRXNPFEDSA-N -1 3 421.339 4.322 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000510687681 919125822 /nfs/dbraw/zinc/12/58/22/919125822.db2.gz OZDAWKONDQYCFV-MRXNPFEDSA-N -1 3 418.541 4.248 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000510894293 919392134 /nfs/dbraw/zinc/39/21/34/919392134.db2.gz OJHKPHCYLGGZPH-NRFANRHFSA-N -1 3 418.541 4.367 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)c2)n1 ZINC000510988857 919545226 /nfs/dbraw/zinc/54/52/26/919545226.db2.gz XKFFMGXEULVWLI-UHFFFAOYSA-N -1 3 420.494 4.098 20 0 HIADHM Cc1cc(Cl)ccc1CN1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000511123533 919736313 /nfs/dbraw/zinc/73/63/13/919736313.db2.gz JGFYUGXJOSOOAA-UHFFFAOYSA-N -1 3 422.916 4.361 20 0 HIADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc(Nc2ccccc2)c1 ZINC000511444620 920054261 /nfs/dbraw/zinc/05/42/61/920054261.db2.gz BOVUKHHCFPJSAN-UHFFFAOYSA-N -1 3 421.931 4.062 20 0 HIADHM CCCCOc1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c(C)c1 ZINC000511620989 920277110 /nfs/dbraw/zinc/27/71/10/920277110.db2.gz WFZKDLFZAUPAJN-UHFFFAOYSA-N -1 3 420.513 4.199 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](CC(C)C)c1cccs1 ZINC000511648854 920316293 /nfs/dbraw/zinc/31/62/93/920316293.db2.gz VEHIHIPOEQFUCX-GOSISDBHSA-N -1 3 410.543 4.038 20 0 HIADHM COc1ccc(C2(CNC(=O)c3c[n-]c4ccccc4c3=O)CCCCC2)cc1OC ZINC000511847376 920567615 /nfs/dbraw/zinc/56/76/15/920567615.db2.gz ITWVOIIRAMBUHU-UHFFFAOYSA-N -1 3 420.509 4.177 20 0 HIADHM CCCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](CC)c1ccccc1 ZINC000511945119 920700355 /nfs/dbraw/zinc/70/03/55/920700355.db2.gz BWMIBOBRHIRBKX-HNNXBMFYSA-N -1 3 414.980 4.070 20 0 HIADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1Sc1ccccc1 ZINC000512039638 920811676 /nfs/dbraw/zinc/81/16/76/920811676.db2.gz FZGXSXHRBIGRBX-UHFFFAOYSA-N -1 3 405.458 4.087 20 0 HIADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1Sc1ccccc1 ZINC000512039638 920811682 /nfs/dbraw/zinc/81/16/82/920811682.db2.gz FZGXSXHRBIGRBX-UHFFFAOYSA-N -1 3 405.458 4.087 20 0 HIADHM COC(=O)c1sc2[n-]c(CN3C[C@@H](C)CC[C@H]3c3ccccc3)nc(=O)c2c1C ZINC000512193232 920938410 /nfs/dbraw/zinc/93/84/10/920938410.db2.gz GSOSCQVHKBFNMF-BBRMVZONSA-N -1 3 411.527 4.053 20 0 HIADHM O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000513807702 922132373 /nfs/dbraw/zinc/13/23/73/922132373.db2.gz GLDBGVGWQYDFPE-UHFFFAOYSA-N -1 3 404.257 4.165 20 0 HIADHM O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000513807702 922132385 /nfs/dbraw/zinc/13/23/85/922132385.db2.gz GLDBGVGWQYDFPE-UHFFFAOYSA-N -1 3 404.257 4.165 20 0 HIADHM COc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc(OC)c1[O-] ZINC000513957233 922275346 /nfs/dbraw/zinc/27/53/46/922275346.db2.gz UDKOAFOQPZVHLG-UHFFFAOYSA-N -1 3 410.451 4.209 20 0 HIADHM O=C(Nc1ccc(Br)cc1[O-])c1nn(-c2ccccc2F)c2c1CCC2 ZINC000514502240 922654439 /nfs/dbraw/zinc/65/44/39/922654439.db2.gz VQDZGMDABCDGKX-UHFFFAOYSA-N -1 3 416.250 4.221 20 0 HIADHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000514820649 922813641 /nfs/dbraw/zinc/81/36/41/922813641.db2.gz UHYSFCWIUZDHQD-UHFFFAOYSA-N -1 3 400.276 4.138 20 0 HIADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1C ZINC000515344356 923062224 /nfs/dbraw/zinc/06/22/24/923062224.db2.gz GTGRUKNQAVBRNU-UHFFFAOYSA-N -1 3 420.712 4.229 20 0 HIADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1Br ZINC000515514388 923145525 /nfs/dbraw/zinc/14/55/25/923145525.db2.gz QFMDVMLDLXENML-AWEZNQCLSA-N -1 3 424.238 4.040 20 0 HIADHM Cc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)nn1C1CCCCC1 ZINC000515924646 923439474 /nfs/dbraw/zinc/43/94/74/923439474.db2.gz HQXBFHNFDCVEIO-UHFFFAOYSA-N -1 3 407.312 4.487 20 0 HIADHM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000516379622 923702074 /nfs/dbraw/zinc/70/20/74/923702074.db2.gz HCSLRYZJDXNROL-UHFFFAOYSA-N -1 3 423.669 4.355 20 0 HIADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1 ZINC000516827216 923908376 /nfs/dbraw/zinc/90/83/76/923908376.db2.gz ALTHHKYCBVMBGP-UHFFFAOYSA-N -1 3 418.540 4.335 20 0 HIADHM O=S(=O)([N-]CCCc1cccc(C(F)(F)F)c1)c1cccnc1C(F)(F)F ZINC000516884923 923925568 /nfs/dbraw/zinc/92/55/68/923925568.db2.gz YFGKHBIGRULJGO-UHFFFAOYSA-N -1 3 412.355 4.030 20 0 HIADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)n1 ZINC000517009687 923965258 /nfs/dbraw/zinc/96/52/58/923965258.db2.gz IQCLDOGBOLEEAN-OAHLLOKOSA-N -1 3 410.543 4.256 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCOc4c(Cl)cccc43)cc2)cc(=O)[n-]1 ZINC000518911063 927620201 /nfs/dbraw/zinc/62/02/01/927620201.db2.gz LHDIWHYVAQLUSJ-KRWDZBQOSA-N -1 3 410.861 4.456 20 0 HIADHM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000519266164 927855360 /nfs/dbraw/zinc/85/53/60/927855360.db2.gz TVRSEESQSOVEPM-KRWDZBQOSA-N -1 3 419.543 4.144 20 0 HIADHM CCc1cccc2c(C3CCN(C(=O)Nc4ccc5c(c4)C(=O)[N-]C5=O)CC3)c[nH]c21 ZINC000519959087 928188269 /nfs/dbraw/zinc/18/82/69/928188269.db2.gz IVJWBCLVEPPPQG-UHFFFAOYSA-N -1 3 416.481 4.025 20 0 HIADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000520101914 928311790 /nfs/dbraw/zinc/31/17/90/928311790.db2.gz FAGKUOCVYRQDFR-IBGZPJMESA-N -1 3 405.845 4.279 20 0 HIADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000520101914 928311800 /nfs/dbraw/zinc/31/18/00/928311800.db2.gz FAGKUOCVYRQDFR-IBGZPJMESA-N -1 3 405.845 4.279 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NCc3ccccc3Br)cc2)cc(=O)[n-]1 ZINC000520158737 928351533 /nfs/dbraw/zinc/35/15/33/928351533.db2.gz KYTALIIEAZGFLE-UHFFFAOYSA-N -1 3 413.275 4.242 20 0 HIADHM O=C([N-]c1nnc(-c2ccco2)s1)c1n[nH]c(-c2ccccc2)c1Br ZINC000520453903 928574147 /nfs/dbraw/zinc/57/41/47/928574147.db2.gz VBKRUCIRWCLIRG-UHFFFAOYSA-N -1 3 416.260 4.203 20 0 HIADHM Cc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cc1 ZINC000520521594 928615964 /nfs/dbraw/zinc/61/59/64/928615964.db2.gz MBHMAFQAJHBUTA-UHFFFAOYSA-N -1 3 418.462 4.116 20 0 HIADHM CC(C)(C)c1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)s1 ZINC000520525376 928618972 /nfs/dbraw/zinc/61/89/72/928618972.db2.gz XDYAXVBHQMPGGT-UHFFFAOYSA-N -1 3 421.466 4.083 20 0 HIADHM CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000520625501 928683082 /nfs/dbraw/zinc/68/30/82/928683082.db2.gz LKBPCOUDPCWRRD-UHFFFAOYSA-N -1 3 416.543 4.050 20 0 HIADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000520729466 928779724 /nfs/dbraw/zinc/77/97/24/928779724.db2.gz IFYWLJSACWRMMK-LJQANCHMSA-N -1 3 405.458 4.478 20 0 HIADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000520729466 928779734 /nfs/dbraw/zinc/77/97/34/928779734.db2.gz IFYWLJSACWRMMK-LJQANCHMSA-N -1 3 405.458 4.478 20 0 HIADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1cc(C(F)(F)F)ccc1F ZINC000521146673 929024493 /nfs/dbraw/zinc/02/44/93/929024493.db2.gz JSYWAXUFXUZCRT-SFHVURJKSA-N -1 3 410.392 4.307 20 0 HIADHM C[C@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000521155321 929029549 /nfs/dbraw/zinc/02/95/49/929029549.db2.gz XMZGMFYJNPUJKB-LLVKDONJSA-N -1 3 402.299 4.022 20 0 HIADHM CC(C)(CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000521480459 929243885 /nfs/dbraw/zinc/24/38/85/929243885.db2.gz FVVGIYKEYQXRBN-UHFFFAOYSA-N -1 3 414.449 4.383 20 0 HIADHM CC(C)(C)n1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(-c2ccccc2Cl)n1 ZINC000521734800 929396939 /nfs/dbraw/zinc/39/69/39/929396939.db2.gz SXWBOMRFDKPYJV-UHFFFAOYSA-N -1 3 421.892 4.391 20 0 HIADHM CC(C)(C)n1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2Cl)n1 ZINC000521734800 929396951 /nfs/dbraw/zinc/39/69/51/929396951.db2.gz SXWBOMRFDKPYJV-UHFFFAOYSA-N -1 3 421.892 4.391 20 0 HIADHM O=C(Nc1ccc(Br)cc1[O-])C1(c2ccccc2Cl)CCOCC1 ZINC000521923540 929566461 /nfs/dbraw/zinc/56/64/61/929566461.db2.gz KMNYLMGSGGBXJJ-UHFFFAOYSA-N -1 3 410.695 4.495 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H](C)[C@H]3C)c2)cc1 ZINC000524653584 929765638 /nfs/dbraw/zinc/76/56/38/929765638.db2.gz AKDOWWPPLZSWCH-NVXWUHKLSA-N -1 3 416.543 4.065 20 0 HIADHM CC[C@@H](c1nnc([N-]C(=O)c2cn(-c3ccc(C)cc3)nn2)s1)c1ccccc1 ZINC000524671818 929786154 /nfs/dbraw/zinc/78/61/54/929786154.db2.gz 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20 0 HIADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cn[nH]c3)c2)cc1 ZINC000029692138 847601177 /nfs/dbraw/zinc/60/11/77/847601177.db2.gz LDRDGJYTOKCOQF-UHFFFAOYSA-N -1 3 412.515 4.114 20 0 HIADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1 ZINC000029760156 847614706 /nfs/dbraw/zinc/61/47/06/847614706.db2.gz JRNPURNIDCYBMQ-UHFFFAOYSA-N -1 3 406.523 4.349 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCC(F)(F)F)ccc2C)c(C)c1 ZINC000029817147 847625479 /nfs/dbraw/zinc/62/54/79/847625479.db2.gz GHBDJPAUGWJRMR-UHFFFAOYSA-N -1 3 414.449 4.013 20 0 HIADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@H]1CCCc2ccccc21 ZINC000029882951 847640782 /nfs/dbraw/zinc/64/07/82/847640782.db2.gz WAOMTTCWELMEGV-IBGZPJMESA-N -1 3 418.534 4.052 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3occc3C)ccc2C)cc1 ZINC000029897003 847643279 /nfs/dbraw/zinc/64/32/79/847643279.db2.gz YKELFCGLTGWXLO-UHFFFAOYSA-N -1 3 414.483 4.348 20 0 HIADHM Cc1ccc(NC(=O)c2ccc(Cl)nc2)cc1S(=O)(=O)[N-]c1ccccc1F 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ILPHXBBVTNFFSK-UHFFFAOYSA-N -1 3 414.396 4.256 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000436602689 861865787 /nfs/dbraw/zinc/86/57/87/861865787.db2.gz FUSMVMRFBWKSFG-REWPJTCUSA-N -1 3 421.924 4.485 20 0 HIADHM COCCOc1ncccc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436605032 861866699 /nfs/dbraw/zinc/86/66/99/861866699.db2.gz OVTAUWYFBQIBBS-UHFFFAOYSA-N -1 3 421.478 4.341 20 0 HIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc(=O)c2c1C ZINC000035605589 848144271 /nfs/dbraw/zinc/14/42/71/848144271.db2.gz VUURXWNGSIEACT-QMMMGPOBSA-N -1 3 407.835 4.081 20 0 HIADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cc(C)c(O)c(C)c3)nc(=O)c2c1C ZINC000036308985 848149279 /nfs/dbraw/zinc/14/92/79/848149279.db2.gz WRXJSRPNUNTGCS-GHXNOFRVSA-N -1 3 404.875 4.139 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)[C@H](C)c3ccccc3)cs2)c1 ZINC000436639675 861878515 /nfs/dbraw/zinc/87/85/15/861878515.db2.gz QDBCMNPAXJXDRV-JKSUJKDBSA-N -1 3 423.538 4.260 20 0 HIADHM C=CCn1c(SCc2cc(=O)oc3c(C)c([O-])ccc23)nc2sccc2c1=O ZINC000036823619 848166690 /nfs/dbraw/zinc/16/66/90/848166690.db2.gz SVKFWKOVGKCKCY-UHFFFAOYSA-N -1 3 412.492 4.057 20 0 HIADHM COc1cccc(CN(C)C(=O)c2ccc(O)cc2[O-])c1OCc1ccccc1F ZINC000436630576 861875218 /nfs/dbraw/zinc/87/52/18/861875218.db2.gz OFYCCNHWVHTFNX-UHFFFAOYSA-N -1 3 411.429 4.097 20 0 HIADHM Cc1cc([C@@H](C)NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c(C)o1 ZINC000436632425 861875784 /nfs/dbraw/zinc/87/57/84/861875784.db2.gz ADLZWIJPDCZDEE-CYBMUJFWSA-N -1 3 413.499 4.039 20 0 HIADHM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436632221 861876141 /nfs/dbraw/zinc/87/61/41/861876141.db2.gz CKDAXNRUVDADLU-UGSOOPFHSA-N -1 3 421.324 4.051 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)[C@@H](C)c3ccccc3)cs2)c1 ZINC000436639673 861878197 /nfs/dbraw/zinc/87/81/97/861878197.db2.gz QDBCMNPAXJXDRV-HZPDHXFCSA-N -1 3 423.538 4.260 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)[C@@H](C)c3ccccc3)cs2)c1 ZINC000436639670 861878383 /nfs/dbraw/zinc/87/83/83/861878383.db2.gz QDBCMNPAXJXDRV-CVEARBPZSA-N -1 3 423.538 4.260 20 0 HIADHM O=C(c1c([O-])cccc1O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000436647468 861880816 /nfs/dbraw/zinc/88/08/16/861880816.db2.gz LNLNMLWMDYFQIS-QHCPKHFHSA-N -1 3 422.912 4.299 20 0 HIADHM Cc1cc(C(C#N)=C([O-])c2nc(-c3ccc(F)cc3)n3c2CCCCC3)nc(C)n1 ZINC000041559934 848233677 /nfs/dbraw/zinc/23/36/77/848233677.db2.gz PYMHDUUZHWOULJ-GOSISDBHSA-N -1 3 403.461 4.313 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(c2noc(C3CC3)n2)CC1 ZINC000436657308 861884297 /nfs/dbraw/zinc/88/42/97/861884297.db2.gz ITLXPTGSAZYPQX-UHFFFAOYSA-N -1 3 417.509 4.458 20 0 HIADHM CC[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1cc(F)ccc1F ZINC000436662405 861886474 /nfs/dbraw/zinc/88/64/74/861886474.db2.gz BZDLBUCWANSEHM-SFHVURJKSA-N -1 3 415.396 4.100 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)Cc2ccccc2C)c1 ZINC000436668634 861888426 /nfs/dbraw/zinc/88/84/26/861888426.db2.gz 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Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436730788 861916455 /nfs/dbraw/zinc/91/64/55/861916455.db2.gz YEQXEWCLHQTCLB-QZTJIDSGSA-N -1 3 406.526 4.103 20 0 HIADHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCC(F)(F)CC1 ZINC000436736686 861921281 /nfs/dbraw/zinc/92/12/81/861921281.db2.gz GYDMDUQDKMVBFL-FQEVSTJZSA-N -1 3 416.468 4.290 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cnc2c(c1)CCCC2 ZINC000436746176 861927502 /nfs/dbraw/zinc/92/75/02/861927502.db2.gz GEDRZBPFNCDQBN-HSZRJFAPSA-N -1 3 415.493 4.166 20 0 HIADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cc(Cl)ccc1Cl ZINC000436751440 861934056 /nfs/dbraw/zinc/93/40/56/861934056.db2.gz SCASNTODAIVNQM-PXAZEXFGSA-N -1 3 407.297 4.181 20 0 HIADHM O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436753087 861938048 /nfs/dbraw/zinc/93/80/48/861938048.db2.gz BUMWQHVAQCJJHV-UHFFFAOYSA-N -1 3 408.841 4.220 20 0 HIADHM COc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1NC(C)=O ZINC000436753758 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O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000427090790 856629744 /nfs/dbraw/zinc/62/97/44/856629744.db2.gz AOACPAHNRQLFIH-OAQYLSRUSA-N -1 3 419.872 4.203 20 0 HIADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccccc2COc2ccccc2)CCCCC1 ZINC000427138133 856663352 /nfs/dbraw/zinc/66/33/52/856663352.db2.gz WFWFVMAQEFBMAI-UHFFFAOYSA-N -1 3 417.527 4.131 20 0 HIADHM Cc1ccc2c(CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)ccc(O)c2n1 ZINC000427265544 856743590 /nfs/dbraw/zinc/74/35/90/856743590.db2.gz NVVUPRIRBNALRY-UHFFFAOYSA-N -1 3 415.478 4.376 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C3CCC3)cc2)c1 ZINC000427569436 856870387 /nfs/dbraw/zinc/87/03/87/856870387.db2.gz AGIQAOFDZQIGLN-UHFFFAOYSA-N -1 3 405.454 4.138 20 0 HIADHM CSc1cccc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)c1 ZINC000427646593 856895871 /nfs/dbraw/zinc/89/58/71/856895871.db2.gz SASRCBJBHBYMEW-UHFFFAOYSA-N -1 3 411.552 4.167 20 0 HIADHM Cc1cc(Br)c2c(c1)CN(C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)CC2 ZINC000428256878 857128684 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CC[C@@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)O1 ZINC000465450291 878880520 /nfs/dbraw/zinc/88/05/20/878880520.db2.gz AAWUTKFPMVFUMP-IEBWSBKVSA-N -1 3 402.516 4.000 20 0 HIADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000466900786 880668298 /nfs/dbraw/zinc/66/82/98/880668298.db2.gz VESLMLZHTLDCQD-JTQLQIEISA-N -1 3 414.858 4.254 20 0 HIADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000467399064 881182121 /nfs/dbraw/zinc/18/21/21/881182121.db2.gz CLNBSBDWTCCFFF-IBGZPJMESA-N -1 3 423.831 4.274 20 0 HIADHM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000467431247 881227832 /nfs/dbraw/zinc/22/78/32/881227832.db2.gz WTNOQAMXXJLWSA-KRWDZBQOSA-N -1 3 416.543 4.336 20 0 HIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000469286321 883384232 /nfs/dbraw/zinc/38/42/32/883384232.db2.gz ONRKTBTTZHUPJY-SFHVURJKSA-N -1 3 415.262 4.407 20 0 HIADHM Cc1ccnc([C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C2CC2)n1 ZINC000469311141 883412561 /nfs/dbraw/zinc/41/25/61/883412561.db2.gz GOBRDIRGZDJVPO-LJQANCHMSA-N -1 3 421.950 4.047 20 0 HIADHM COc1cc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)c(SC)cc1OC ZINC000469387779 883534334 /nfs/dbraw/zinc/53/43/34/883534334.db2.gz DKDOWLMSHLJXTE-UHFFFAOYSA-N -1 3 407.507 4.252 20 0 HIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(N3CCCC3)n2-c2ccccc2Cl)n1 ZINC000469805635 883978984 /nfs/dbraw/zinc/97/89/84/883978984.db2.gz DXOUTJZSBOENLE-ZDUSSCGKSA-N -1 3 416.938 4.178 20 0 HIADHM Cc1ccc(-n2c(S[C@H](C)c3nc(C)cc(=O)[n-]3)nnc2N2CCCCC2)cc1 ZINC000469809035 883984372 /nfs/dbraw/zinc/98/43/72/883984372.db2.gz MMSHBHXMHFHREE-MRXNPFEDSA-N -1 3 410.547 4.223 20 0 HIADHM O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cc(=O)c2ccccc2[n-]1 ZINC000503872268 912848379 /nfs/dbraw/zinc/84/83/79/912848379.db2.gz LHFWEFFTAGOBCR-HXUWFJFHSA-N -1 3 403.869 4.290 20 0 HIADHM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000470256054 884594743 /nfs/dbraw/zinc/59/47/43/884594743.db2.gz 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COc1ccc(-c2nc([N-]C(=O)c3noc(-c4cccc(OC)c4)n3)sc2C)cc1 ZINC000471447543 886119440 /nfs/dbraw/zinc/11/94/40/886119440.db2.gz UJEKTMJTVWMKGT-UHFFFAOYSA-N -1 3 422.466 4.438 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCC[C@H]2CCC(C)C)cc1OC ZINC000471599080 886313141 /nfs/dbraw/zinc/31/31/41/886313141.db2.gz NUDRHRGKQQFEND-KRWDZBQOSA-N -1 3 411.568 4.279 20 0 HIADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)n1 ZINC000471619609 886337971 /nfs/dbraw/zinc/33/79/71/886337971.db2.gz GMKHGWOHVHMENC-SSDOTTSWSA-N -1 3 413.721 4.046 20 0 HIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000471778707 886512007 /nfs/dbraw/zinc/51/20/07/886512007.db2.gz FUTBPMLVNBONHQ-UHFFFAOYSA-N -1 3 402.281 4.210 20 0 HIADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccccc3Cl)n2)cc1F ZINC000471869555 886646925 /nfs/dbraw/zinc/64/69/25/886646925.db2.gz IGPPCBGHQIVFNR-GFCCVEGCSA-N -1 3 409.870 4.018 20 0 HIADHM CCC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)N1CCc2sccc2C1 ZINC000472027355 886848716 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3 424.526 4.120 20 0 HIADHM CCCOc1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cc1OC ZINC000504466867 913268081 /nfs/dbraw/zinc/26/80/81/913268081.db2.gz GECGCEDDGYYQOL-UHFFFAOYSA-N -1 3 407.239 4.289 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](COc4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000504471215 913270782 /nfs/dbraw/zinc/27/07/82/913270782.db2.gz NPZLKXFWMZRDEB-QGZVFWFLSA-N -1 3 404.470 4.090 20 0 HIADHM O=C1CCCN1c1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cc1 ZINC000504481070 913276255 /nfs/dbraw/zinc/27/62/55/913276255.db2.gz JXJYBYNQIBCQAX-UHFFFAOYSA-N -1 3 402.223 4.031 20 0 HIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C ZINC000474300690 889165578 /nfs/dbraw/zinc/16/55/78/889165578.db2.gz DYODCFFGADWOJF-UHFFFAOYSA-N -1 3 413.474 4.491 20 0 HIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 ZINC000474356101 889234462 /nfs/dbraw/zinc/23/44/62/889234462.db2.gz YOVXVSJNDYLUOA-UHFFFAOYSA-N -1 3 413.528 4.023 20 0 HIADHM CC(C)c1nc(Cn2cc(C(=O)Nc3ccc(Cl)cc3[O-])ccc2=O)cs1 ZINC000474360616 889239080 /nfs/dbraw/zinc/23/90/80/889239080.db2.gz ARHXBCKYGNJWLS-UHFFFAOYSA-N -1 3 403.891 4.088 20 0 HIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 ZINC000474534353 889407134 /nfs/dbraw/zinc/40/71/34/889407134.db2.gz MBIYEERYVRHUDQ-UHFFFAOYSA-N -1 3 400.529 4.129 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000474645563 889507704 /nfs/dbraw/zinc/50/77/04/889507704.db2.gz FMZKEVOGBZLEQW-QGZVFWFLSA-N -1 3 424.444 4.300 20 0 HIADHM Cc1ccc(C(=O)NC(C)(C)CF)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000474774300 889632361 /nfs/dbraw/zinc/63/23/61/889632361.db2.gz PCKGZWNIVWWSHQ-UHFFFAOYSA-N -1 3 416.877 4.066 20 0 HIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 ZINC000474823402 889677872 /nfs/dbraw/zinc/67/78/72/889677872.db2.gz CVBFUYLRCDMRTF-UHFFFAOYSA-N -1 3 405.483 4.019 20 0 HIADHM Cc1nc(C)c(CCC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c(=O)[n-]1 ZINC000474866971 889721189 /nfs/dbraw/zinc/72/11/89/889721189.db2.gz DWDKXUYMBJSECN-UHFFFAOYSA-N -1 3 407.436 4.157 20 0 HIADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(F)c(Br)cc1Cl ZINC000475104879 889952530 /nfs/dbraw/zinc/95/25/30/889952530.db2.gz YROWVMCRPKWCRG-UHFFFAOYSA-N -1 3 404.570 4.364 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CC2CCC(=O)CC2)cc1 ZINC000475255006 890145126 /nfs/dbraw/zinc/14/51/26/890145126.db2.gz RNPYAXHPGRIAEK-UHFFFAOYSA-N -1 3 414.527 4.192 20 0 HIADHM CCOc1c(Br)cc(Br)cc1CNCc1ncccc1[O-] ZINC000475341261 890262188 /nfs/dbraw/zinc/26/21/88/890262188.db2.gz DYRFLEPVXPMRPK-UHFFFAOYSA-N -1 3 416.113 4.001 20 0 HIADHM O=S(=O)([N-]Cc1ccc(-c2ccncc2)cc1)c1ccc(Br)cc1F ZINC000475799974 890735442 /nfs/dbraw/zinc/73/54/42/890735442.db2.gz LTFBBMZPKYZEAU-UHFFFAOYSA-N -1 3 421.291 4.129 20 0 HIADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000476202649 891133895 /nfs/dbraw/zinc/13/38/95/891133895.db2.gz XBYMKJKIZJNNSK-UHFFFAOYSA-N -1 3 420.462 4.454 20 0 HIADHM Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476415184 891327955 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Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000544294333 940382064 /nfs/dbraw/zinc/38/20/64/940382064.db2.gz YVDBHUZBKOFLMF-MRXNPFEDSA-N -1 3 418.534 4.443 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@@H](CC)c3nc(C)cs3)nc(=O)c2c1C ZINC000544448969 940435059 /nfs/dbraw/zinc/43/50/59/940435059.db2.gz BJHQPAGDPMPBHJ-NEPJUHHUSA-N -1 3 420.560 4.037 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@@H](CC)c3nc(C)cs3)nc(=O)c2c1C ZINC000544448971 940435407 /nfs/dbraw/zinc/43/54/07/940435407.db2.gz BJHQPAGDPMPBHJ-RYUDHWBXSA-N -1 3 420.560 4.037 20 0 HIADHM O=c1[n-]c(CN2CCCN(c3ccc(F)c(F)c3)CC2)nc2c3ccccc3oc21 ZINC000563903583 945321291 /nfs/dbraw/zinc/32/12/91/945321291.db2.gz XCFDBMLIXHXOOH-UHFFFAOYSA-N -1 3 410.424 4.072 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc3ccccc3c2)c1 ZINC000544508203 940460580 /nfs/dbraw/zinc/46/05/80/940460580.db2.gz BBHJJOMYENAXBK-UHFFFAOYSA-N -1 3 415.449 4.067 20 0 HIADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)ccc1F ZINC000544667668 940500537 /nfs/dbraw/zinc/50/05/37/940500537.db2.gz QIERAJOSOLXDOC-OAHLLOKOSA-N -1 3 424.803 4.019 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@H]2CCCc3ccccc32)no1 ZINC000544970768 940529759 /nfs/dbraw/zinc/52/97/59/940529759.db2.gz HYSLPLHSDWVJPZ-ACJLOTCBSA-N -1 3 417.918 4.231 20 0 HIADHM O=C(NCc1ccc(C(F)F)cc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000545204366 940555794 /nfs/dbraw/zinc/55/57/94/940555794.db2.gz XUWVZTMQHYZJAS-UHFFFAOYSA-N -1 3 407.214 4.158 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)CC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000545395050 940568048 /nfs/dbraw/zinc/56/80/48/940568048.db2.gz UXHXYWJRWGEQBC-ZDUSSCGKSA-N -1 3 409.873 4.246 20 0 HIADHM CCc1cccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c1[O-] ZINC000545413543 940568811 /nfs/dbraw/zinc/56/88/11/940568811.db2.gz VHPCKLDFOMCRME-UHFFFAOYSA-N -1 3 404.304 4.401 20 0 HIADHM CCN(CCC1CC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000545509238 940572455 /nfs/dbraw/zinc/57/24/55/940572455.db2.gz QPCRAHTZROWXAB-UHFFFAOYSA-N -1 3 404.507 4.197 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CCc4c3cccc4C)cs2)c1 ZINC000545518608 940572883 /nfs/dbraw/zinc/57/28/83/940572883.db2.gz ONVPZWWWXJWTBV-IBGZPJMESA-N -1 3 421.522 4.064 20 0 HIADHM CSCc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000545686024 940580658 /nfs/dbraw/zinc/58/06/58/940580658.db2.gz JMXSGZLSVIZJOP-LBPRGKRZSA-N -1 3 423.947 4.293 20 0 HIADHM COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc(Cl)c1[O-] ZINC000545886418 940652906 /nfs/dbraw/zinc/65/29/06/940652906.db2.gz MSMRKPVMHJNMIP-INIZCTEOSA-N -1 3 408.951 4.319 20 0 HIADHM CC[C@H](CC(F)(F)F)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000546202576 940728525 /nfs/dbraw/zinc/72/85/25/940728525.db2.gz GKDZGFJTCDWEBO-CYBMUJFWSA-N -1 3 421.847 4.137 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(C[C@H](C)c2ccccc2)no1 ZINC000546461666 940825973 /nfs/dbraw/zinc/82/59/73/940825973.db2.gz PGOILSHNCAMSGL-UONOGXRCSA-N -1 3 405.907 4.109 20 0 HIADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc(COC3CCCC3)no2)cc1 ZINC000546476884 940830731 /nfs/dbraw/zinc/83/07/31/940830731.db2.gz BLFQLRFLHRHKIL-UHFFFAOYSA-N -1 3 417.462 4.136 20 0 HIADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccccc3OCC3CCCC3)no2)cc1 ZINC000546484852 940832820 /nfs/dbraw/zinc/83/28/20/940832820.db2.gz GIGAKUPPAFPVLM-UHFFFAOYSA-N -1 3 413.499 4.344 20 0 HIADHM Cc1ccccc1[C@@H](C)c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000546545313 940848918 /nfs/dbraw/zinc/84/89/18/940848918.db2.gz IOJKKVCYUZNXRY-CQSZACIVSA-N -1 3 403.479 4.023 20 0 HIADHM COc1cc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc(OC)c1[O-] ZINC000546554198 940851199 /nfs/dbraw/zinc/85/11/99/940851199.db2.gz LHDIDZHBSKWLLT-OAHLLOKOSA-N -1 3 423.309 4.462 20 0 HIADHM COC(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c1C ZINC000547351749 941057858 /nfs/dbraw/zinc/05/78/58/941057858.db2.gz YXEWPUZXKPOLGM-UHFFFAOYSA-N -1 3 412.829 4.277 20 0 HIADHM O=C(NCc1ccc(Cl)cc1F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000547656772 941070607 /nfs/dbraw/zinc/07/06/07/941070607.db2.gz DDAVABZFEIWYBA-UHFFFAOYSA-N -1 3 409.642 4.013 20 0 HIADHM CCc1cccc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c1[O-] ZINC000547821535 941077008 /nfs/dbraw/zinc/07/70/08/941077008.db2.gz RSRJOBOKWDHEHV-KRWDZBQOSA-N -1 3 408.267 4.070 20 0 HIADHM COc1cc(S(=O)(=O)[N-]c2cccc(C)c2Cl)c(OC)cc1Br ZINC000548031440 941083495 /nfs/dbraw/zinc/08/34/95/941083495.db2.gz GFQVJPKFZGWAEG-UHFFFAOYSA-N -1 3 420.712 4.229 20 0 HIADHM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)c(C)n1C ZINC000550513283 941334175 /nfs/dbraw/zinc/33/41/75/941334175.db2.gz GQGASAJLCVHWBH-UHFFFAOYSA-N -1 3 415.490 4.143 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Cn3ncc4ccccc43)c2)n1 ZINC000551563634 941502574 /nfs/dbraw/zinc/50/25/74/941502574.db2.gz NBVGTABAXGFCEG-HNNXBMFYSA-N -1 3 401.470 4.036 20 0 HIADHM Cc1ccc(Br)c(C)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000551885894 941560558 /nfs/dbraw/zinc/56/05/58/941560558.db2.gz XMYUTOAJTPQJFO-UHFFFAOYSA-N -1 3 413.109 4.464 20 0 HIADHM CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c1[O-] ZINC000552069084 941579032 /nfs/dbraw/zinc/57/90/32/941579032.db2.gz AUABFSFUVAHZDJ-UHFFFAOYSA-N -1 3 400.438 4.104 20 0 HIADHM CC(=O)c1cccc(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)c1[O-] ZINC000552069428 941579187 /nfs/dbraw/zinc/57/91/87/941579187.db2.gz RMJJQVMOVJVGIW-UHFFFAOYSA-N -1 3 401.772 4.103 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(Br)c(F)cc3F)c[n-]c12 ZINC000553187957 941846555 /nfs/dbraw/zinc/84/65/55/941846555.db2.gz WTYXDRNXUOTDIS-UHFFFAOYSA-N -1 3 411.177 4.269 20 0 HIADHM COc1cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc(OC)c1[O-] ZINC000553205125 941849017 /nfs/dbraw/zinc/84/90/17/941849017.db2.gz VQRZUQNXWQFDQT-JKSUJKDBSA-N -1 3 409.404 4.494 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1cccc(N2CCCC2)c1 ZINC000553421781 941882299 /nfs/dbraw/zinc/88/22/99/941882299.db2.gz CAUOELBCBMLXGN-GFCCVEGCSA-N -1 3 400.878 4.258 20 0 HIADHM COc1cc(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)cc(OC)c1[O-] ZINC000553508596 941899023 /nfs/dbraw/zinc/89/90/23/941899023.db2.gz OLSSSUWJGXKWOM-GOSISDBHSA-N -1 3 420.303 4.225 20 0 HIADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000553646391 941932052 /nfs/dbraw/zinc/93/20/52/941932052.db2.gz QBLPPKOUFQDRQZ-UHFFFAOYSA-N -1 3 419.872 4.029 20 0 HIADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000553646391 941932056 /nfs/dbraw/zinc/93/20/56/941932056.db2.gz QBLPPKOUFQDRQZ-UHFFFAOYSA-N -1 3 419.872 4.029 20 0 HIADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000553655124 941936039 /nfs/dbraw/zinc/93/60/39/941936039.db2.gz UKRRZEANVAVVOH-UHFFFAOYSA-N -1 3 415.425 4.351 20 0 HIADHM O=S(=O)([N-][C@H]1CCCc2cc(OC(F)F)ccc21)c1cccnc1C(F)(F)F ZINC000553817564 941975640 /nfs/dbraw/zinc/97/56/40/941975640.db2.gz BBKNCYPSXRKOIW-ZDUSSCGKSA-N -1 3 422.375 4.058 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCC3(C)C)c2)cc1 ZINC000554065616 942028447 /nfs/dbraw/zinc/02/84/47/942028447.db2.gz IOHZRAQOCMCBGM-FQEVSTJZSA-N -1 3 416.543 4.113 20 0 HIADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000554635562 942181861 /nfs/dbraw/zinc/18/18/61/942181861.db2.gz KQPMORVNDSDVGX-UHFFFAOYSA-N -1 3 423.416 4.963 20 0 HIADHM NC(=O)c1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cc2)c1 ZINC000554688721 942199641 /nfs/dbraw/zinc/19/96/41/942199641.db2.gz YXHGRASCWZCNQX-UHFFFAOYSA-N -1 3 418.421 4.316 20 0 HIADHM Cc1ccc([C@H](OC[C@H](O)COc2ccc3c([O-])coc3c2)c2ccccc2)cc1 ZINC000555566657 942647482 /nfs/dbraw/zinc/64/74/82/942647482.db2.gz RPGVQKVIVMVPKL-CJFMBICVSA-N -1 3 404.462 4.116 20 0 HIADHM Cc1cc(CS(=O)(=O)[N-][C@H](c2ccccc2Cl)c2cc(F)ccc2F)no1 ZINC000556375002 942851703 /nfs/dbraw/zinc/85/17/03/942851703.db2.gz JKOBAXXTXGGEJV-GOSISDBHSA-N -1 3 412.845 4.124 20 0 HIADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000556548013 942896291 /nfs/dbraw/zinc/89/62/91/942896291.db2.gz WKTYOVOCNAXXCS-UHFFFAOYSA-N -1 3 402.878 4.323 20 0 HIADHM Cc1ncn(Cc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[n-]2)c1C ZINC000557187490 943044632 /nfs/dbraw/zinc/04/46/32/943044632.db2.gz NXRBRMMCFIGASS-UHFFFAOYSA-N -1 3 421.526 4.024 20 0 HIADHM COc1cc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc(OC)c1[O-] ZINC000557412308 943111641 /nfs/dbraw/zinc/11/16/41/943111641.db2.gz QHZKLTXEAIVDGR-AWEZNQCLSA-N -1 3 409.404 4.448 20 0 HIADHM C[C@@]1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@H]1c1ccccc1 ZINC000557733557 943273305 /nfs/dbraw/zinc/27/33/05/943273305.db2.gz AMOMPUKVHZUDLC-KKSFZXQISA-N -1 3 411.299 4.214 20 0 HIADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000557772376 943287053 /nfs/dbraw/zinc/28/70/53/943287053.db2.gz NTIUUQGQXORQSG-UHFFFAOYSA-N -1 3 404.363 4.104 20 0 HIADHM O=S(=O)([N-]CC1(c2cccc(C(F)(F)F)c2)CC1)c1cccnc1C(F)(F)F ZINC000557812900 943300622 /nfs/dbraw/zinc/30/06/22/943300622.db2.gz KWZFNPXOAANNED-UHFFFAOYSA-N -1 3 424.366 4.129 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000558935666 943758424 /nfs/dbraw/zinc/75/84/24/943758424.db2.gz QZAZXGPPJGKLSH-SFHVURJKSA-N -1 3 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O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H](OCc2ccncc2)C1 ZINC000436555086 861849758 /nfs/dbraw/zinc/84/97/58/861849758.db2.gz MKLQYSVGVWNWSQ-QFIPXVFZSA-N -1 3 402.494 4.004 20 0 HIADHM CCSCC[C@H](C)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554821 861849786 /nfs/dbraw/zinc/84/97/86/861849786.db2.gz IWYOMFCPYVGOFT-LAUBAEHRSA-N -1 3 414.571 4.244 20 0 HIADHM C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(F)cc1F ZINC000436557498 861850924 /nfs/dbraw/zinc/85/09/24/861850924.db2.gz RKHNFACVYWTTGC-QRQCRPRQSA-N -1 3 424.447 4.409 20 0 HIADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000436562698 861853020 /nfs/dbraw/zinc/85/30/20/861853020.db2.gz NSEIWHQRQBJZTE-HSZRJFAPSA-N -1 3 412.489 4.076 20 0 HIADHM CN(C(=O)c1cc2c(cc1[O-])OCO2)[C@H]1CCSc2ccc(Br)cc21 ZINC000436564628 861853386 /nfs/dbraw/zinc/85/33/86/861853386.db2.gz QMRFKBRJGKSJDL-ZDUSSCGKSA-N -1 3 422.300 4.193 20 0 HIADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)n1[C@@H](C)c1ccccc1 ZINC000032332284 848007127 /nfs/dbraw/zinc/00/71/27/848007127.db2.gz KKAZQXRVAOYVRK-INIZCTEOSA-N -1 3 411.527 4.338 20 0 HIADHM NC(=O)CCSc1ccccc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436569799 861855901 /nfs/dbraw/zinc/85/59/01/861855901.db2.gz IXSGFMYFHPDWFP-UHFFFAOYSA-N -1 3 408.479 4.404 20 0 HIADHM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436585087 861860193 /nfs/dbraw/zinc/86/01/93/861860193.db2.gz LEGGKMZFUUNPTG-UHFFFAOYSA-N -1 3 415.442 4.121 20 0 HIADHM COc1cc(N(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])cc(OC)c1OC ZINC000436592939 861862466 /nfs/dbraw/zinc/86/24/66/861862466.db2.gz ZOMXWUVGASFQII-UHFFFAOYSA-N -1 3 421.493 4.480 20 0 HIADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(-c2cnc(OCC(F)F)cn2)no1 ZINC000436592872 861862621 /nfs/dbraw/zinc/86/26/21/861862621.db2.gz AHUJWVPHFXIJDN-UHFFFAOYSA-N -1 3 410.380 4.134 20 0 HIADHM Cn1ccnc1C[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436598940 861864392 /nfs/dbraw/zinc/86/43/92/861864392.db2.gz VUZKHZAEAAAALV-OAQYLSRUSA-N -1 3 403.526 4.006 20 0 HIADHM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)C1 ZINC000436616411 861871166 /nfs/dbraw/zinc/87/11/66/861871166.db2.gz JUOVFZFFNBLJID-LJQANCHMSA-N -1 3 420.553 4.094 20 0 HIADHM COc1ccccc1OCCN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436616612 861871232 /nfs/dbraw/zinc/87/12/32/861871232.db2.gz IPUPRPOPCDAKGF-UHFFFAOYSA-N -1 3 405.494 4.337 20 0 HIADHM O=C(NCCC1CCCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000033120701 848111437 /nfs/dbraw/zinc/11/14/37/848111437.db2.gz PACBXKVVDDKASE-UHFFFAOYSA-N -1 3 404.507 4.327 20 0 HIADHM C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccc(Cl)s1 ZINC000033193723 848123185 /nfs/dbraw/zinc/12/31/85/848123185.db2.gz FZEDRQRMBKEOOY-JTQLQIEISA-N -1 3 418.943 4.108 20 0 HIADHM CCOC(=O)C(=Cc1ccc(OC(F)F)cc1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000033751367 848139112 /nfs/dbraw/zinc/13/91/12/848139112.db2.gz MTMNBAMMQAKFQG-NTEUORMPSA-N -1 3 420.437 4.307 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000436614310 861870225 /nfs/dbraw/zinc/87/02/25/861870225.db2.gz WFHFIVKAFODZQW-UHFFFAOYSA-N -1 3 418.512 4.470 20 0 HIADHM CCCCCNC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC)c(Cl)cc1Cl ZINC000036264214 848147563 /nfs/dbraw/zinc/14/75/63/848147563.db2.gz VCVAODJMGDJOCK-LBPRGKRZSA-N -1 3 409.379 4.380 20 0 HIADHM Cc1ccc(C(=O)NCCc2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)c([O-])c1 ZINC000436616997 861871902 /nfs/dbraw/zinc/87/19/02/861871902.db2.gz LRVLPJGYCJCEBX-KRWDZBQOSA-N -1 3 423.366 4.134 20 0 HIADHM COCc1ccccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436626873 861874032 /nfs/dbraw/zinc/87/40/32/861874032.db2.gz SOHJFKULAFNMGU-QFIPXVFZSA-N -1 3 404.466 4.039 20 0 HIADHM O=C(NCc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436636365 861877832 /nfs/dbraw/zinc/87/78/32/861877832.db2.gz QILPGHHWGDERHD-QFIPXVFZSA-N -1 3 416.477 4.106 20 0 HIADHM Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2c([O-])cccc2O)C3)cc1 ZINC000436647835 861880918 /nfs/dbraw/zinc/88/09/18/861880918.db2.gz LUMRVHUOJCCALX-UHFFFAOYSA-N -1 3 417.465 4.249 20 0 HIADHM O=c1[n-]c(SCc2cc(-c3ccc(F)cc3)no2)nc2c1cnn2-c1ccccc1 ZINC000041702822 848239627 /nfs/dbraw/zinc/23/96/27/848239627.db2.gz HHGICDWPSWSGRV-UHFFFAOYSA-N -1 3 419.441 4.195 20 0 HIADHM O=C(c1ccccc1[O-])N1CCC(Nc2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000436652206 861881931 /nfs/dbraw/zinc/88/19/31/861881931.db2.gz KYPOCPIXKZQSSP-UHFFFAOYSA-N -1 3 421.444 4.737 20 0 HIADHM O=C(CCCc1ccc2ccccc2c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436654085 861882660 /nfs/dbraw/zinc/88/26/60/861882660.db2.gz DDXXISOYOVUAIK-UHFFFAOYSA-N -1 3 416.521 4.289 20 0 HIADHM O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1c[n-]c2ccccc2c1=O ZINC000042025192 848275859 /nfs/dbraw/zinc/27/58/59/848275859.db2.gz WBZWTHPERCKSOV-UHFFFAOYSA-N -1 3 401.447 4.328 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c1 ZINC000436668977 861888572 /nfs/dbraw/zinc/88/85/72/861888572.db2.gz GQIKUOCJQNFALG-DOTOQJQBSA-N -1 3 419.481 4.268 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)c1 ZINC000436672505 861890107 /nfs/dbraw/zinc/89/01/07/861890107.db2.gz ZCEHGZYQSSTFAV-HNNXBMFYSA-N -1 3 407.470 4.037 20 0 HIADHM Cc1cccc(NC(=O)[C@H](C)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000042743172 848349954 /nfs/dbraw/zinc/34/99/54/848349954.db2.gz FDWICOSUBQGGKF-HNNXBMFYSA-N -1 3 415.921 4.032 20 0 HIADHM C[C@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccccc1 ZINC000042846412 848357817 /nfs/dbraw/zinc/35/78/17/848357817.db2.gz GSCQCXPLQGAIFO-AWEZNQCLSA-N -1 3 401.894 4.167 20 0 HIADHM COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(O)cc3[O-])C2)n1 ZINC000436707397 861898843 /nfs/dbraw/zinc/89/88/43/861898843.db2.gz GXOORAJLUAAELY-AWEZNQCLSA-N -1 3 410.495 4.250 20 0 HIADHM [O-]c1ccccc1-c1nc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)no1 ZINC000436709494 861898968 /nfs/dbraw/zinc/89/89/68/861898968.db2.gz XUCZMFLZKSGEJL-UHFFFAOYSA-N -1 3 418.381 4.386 20 0 HIADHM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436718516 861904767 /nfs/dbraw/zinc/90/47/67/861904767.db2.gz XBXVWRJPJOZHKJ-FRIKZZABSA-N -1 3 415.537 4.462 20 0 HIADHM O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1cc(Cl)ccc1[O-] ZINC000436721133 861907078 /nfs/dbraw/zinc/90/70/78/861907078.db2.gz GRVXHZKTACAMMI-UHFFFAOYSA-N -1 3 422.916 4.015 20 0 HIADHM Cc1ccccc1NC(=S)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000044232627 848535985 /nfs/dbraw/zinc/53/59/85/848535985.db2.gz WEONSXOUVDASBQ-UHFFFAOYSA-N -1 3 403.935 4.402 20 0 HIADHM CCn1c(COc2ccc(C)cc2)nnc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436742849 861924884 /nfs/dbraw/zinc/92/48/84/861924884.db2.gz YNOXYVPDIJOVDJ-UHFFFAOYSA-N -1 3 423.498 4.233 20 0 HIADHM CC(C)c1noc([C@@H](C)Sc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)n1 ZINC000045104512 848634861 /nfs/dbraw/zinc/63/48/61/848634861.db2.gz HDXSMYLNBPCCPO-SNVBAGLBSA-N -1 3 416.894 4.122 20 0 HIADHM CC(C)[C@H](CC1CCCCC1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436742784 861925219 /nfs/dbraw/zinc/92/52/19/861925219.db2.gz YITNKGSARITVNF-NRFANRHFSA-N -1 3 400.563 4.356 20 0 HIADHM CCOC(=O)CSc1nnc([N-]C(=O)c2oc3ccc(Cl)cc3c2C)s1 ZINC000045947160 848757001 /nfs/dbraw/zinc/75/70/01/848757001.db2.gz IDZUCDLIJBFVQQ-UHFFFAOYSA-N -1 3 411.892 4.154 20 0 HIADHM COc1cc(NC(=O)c2ccc(C)cc2[O-])c(OC)cc1NC(=O)c1ccccc1 ZINC000436755705 861941997 /nfs/dbraw/zinc/94/19/97/861941997.db2.gz MGFPWWDEZMMHGL-UHFFFAOYSA-N -1 3 406.438 4.222 20 0 HIADHM CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2ccccc2SC(F)F)c1 ZINC000046148768 848790359 /nfs/dbraw/zinc/79/03/59/848790359.db2.gz ZOODUEPNEIFTGN-UHFFFAOYSA-N -1 3 418.462 4.079 20 0 HIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)ccc1F ZINC000046197252 848800351 /nfs/dbraw/zinc/80/03/51/848800351.db2.gz IOXBFIZGSXXWNN-AWEZNQCLSA-N -1 3 418.490 4.092 20 0 HIADHM CCN(C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-])c1ccccc1 ZINC000436756831 861945702 /nfs/dbraw/zinc/94/57/02/861945702.db2.gz FPGGWBGQLKPVOV-UHFFFAOYSA-N -1 3 414.461 4.164 20 0 HIADHM CN(C)[C@H](CNC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl)c1ccsc1 ZINC000046347529 848830074 /nfs/dbraw/zinc/83/00/74/848830074.db2.gz KFMSDVBICBBNNE-LLVKDONJSA-N -1 3 408.742 4.032 20 0 HIADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436765022 861954919 /nfs/dbraw/zinc/95/49/19/861954919.db2.gz OHXNEBNPXLSZGR-UGKGYDQZSA-N -1 3 407.470 4.222 20 0 HIADHM O=c1nc(CS(=O)(=O)c2ccc(Cl)cc2)[n-]c2scc(-c3ccccc3)c21 ZINC000046702782 848914383 /nfs/dbraw/zinc/91/43/83/848914383.db2.gz WWRQQHHOFVJFDE-UHFFFAOYSA-N -1 3 416.911 4.279 20 0 HIADHM CCCCOc1ccc([C@@H](C)NC(=O)N[N-]C(=O)c2ccccc2Cl)cc1OC ZINC000047159701 848993710 /nfs/dbraw/zinc/99/37/10/848993710.db2.gz XQEITXRIEQWKEE-CQSZACIVSA-N -1 3 419.909 4.233 20 0 HIADHM CSc1ccc([C@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436779530 861969549 /nfs/dbraw/zinc/96/95/49/861969549.db2.gz VXPOPZNJKISFJW-LBPRGKRZSA-N -1 3 411.483 4.154 20 0 HIADHM COc1ccc(C)cc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000047336494 849028796 /nfs/dbraw/zinc/02/87/96/849028796.db2.gz MGSQPNGLABRYMX-UHFFFAOYSA-N -1 3 417.893 4.245 20 0 HIADHM Cc1cc(F)ccc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000047353077 849031026 /nfs/dbraw/zinc/03/10/26/849031026.db2.gz SXGLANWAPGZROU-UHFFFAOYSA-N -1 3 405.857 4.376 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000436781154 861972662 /nfs/dbraw/zinc/97/26/62/861972662.db2.gz IVGSVLBFNKAXGG-HNNXBMFYSA-N -1 3 417.465 4.094 20 0 HIADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000436789621 861981780 /nfs/dbraw/zinc/98/17/80/861981780.db2.gz LKTCBBNGWKMDIR-NHCUHLMSSA-N -1 3 402.535 4.331 20 0 HIADHM O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1cc2c(cc1[O-])OCO2 ZINC000436803176 861993606 /nfs/dbraw/zinc/99/36/06/861993606.db2.gz MWZQNELERXHXHF-UHFFFAOYSA-N -1 3 401.378 4.109 20 0 HIADHM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1Oc1ccncc1 ZINC000436815329 861998353 /nfs/dbraw/zinc/99/83/53/861998353.db2.gz NWDLMTTXFXSYPN-HXUWFJFHSA-N -1 3 417.465 4.131 20 0 HIADHM C[C@H](C1CC1)n1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000436816994 862000373 /nfs/dbraw/zinc/00/03/73/862000373.db2.gz VQZDYASPXVQDSO-ZHRRBRCNSA-N -1 3 418.497 4.060 20 0 HIADHM CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc(CC)cc2[O-])CC1 ZINC000436832223 862011415 /nfs/dbraw/zinc/01/14/15/862011415.db2.gz HDAZARLDWDUADS-UHFFFAOYSA-N -1 3 400.544 4.173 20 0 HIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000050603227 849397589 /nfs/dbraw/zinc/39/75/89/849397589.db2.gz BSDGGHSWQAIVFB-UHFFFAOYSA-N -1 3 401.348 4.136 20 0 HIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000050603227 849397602 /nfs/dbraw/zinc/39/76/02/849397602.db2.gz BSDGGHSWQAIVFB-UHFFFAOYSA-N -1 3 401.348 4.136 20 0 HIADHM CCc1ccc(-c2nc(Cc3cc(OC)c(OC)cc3Br)no2)c([O-])c1 ZINC000436835775 862015150 /nfs/dbraw/zinc/01/51/50/862015150.db2.gz XCAPLZOZFRTXLG-UHFFFAOYSA-N -1 3 419.275 4.375 20 0 HIADHM CCc1ccc([C@H]2CCN(C(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])C2)cc1 ZINC000436850639 862027193 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ZINC000436900156 862075472 /nfs/dbraw/zinc/07/54/72/862075472.db2.gz HDIYYZLSIAHKCJ-GOSISDBHSA-N -1 3 410.905 4.250 20 0 HIADHM CCN(Cc1cccc(F)c1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436900039 862076105 /nfs/dbraw/zinc/07/61/05/862076105.db2.gz AXCHKHJLGAGCDF-QHCPKHFHSA-N -1 3 420.484 4.441 20 0 HIADHM Cc1ccc(C(=O)Nc2ccncc2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000055157875 849979443 /nfs/dbraw/zinc/97/94/43/849979443.db2.gz XMWQJHHZWSAIRD-UHFFFAOYSA-N -1 3 419.865 4.236 20 0 HIADHM CN(Cc1cc(F)cc(F)c1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436904282 862079498 /nfs/dbraw/zinc/07/94/98/862079498.db2.gz WJIIVPWDAYQMIY-JOCHJYFZSA-N -1 3 424.447 4.190 20 0 HIADHM CN(Cc1cccc(F)c1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436903590 862080060 /nfs/dbraw/zinc/08/00/60/862080060.db2.gz NGXOLAZPXRYJLH-QFIPXVFZSA-N -1 3 406.457 4.051 20 0 HIADHM COc1ccc(C)cc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436904418 862080793 /nfs/dbraw/zinc/08/07/93/862080793.db2.gz QCQDFCDCHPTTLA-HXUWFJFHSA-N -1 3 404.466 4.209 20 0 HIADHM CN(CCCc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436905858 862082238 /nfs/dbraw/zinc/08/22/38/862082238.db2.gz BHMOWGDMWOCIBF-XMMPIXPASA-N -1 3 416.521 4.345 20 0 HIADHM CN(Cc1ccccc1F)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436906175 862082770 /nfs/dbraw/zinc/08/27/70/862082770.db2.gz VJQZNKMJPPMIHP-QFIPXVFZSA-N -1 3 406.457 4.051 20 0 HIADHM C[C@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c2ccccc21 ZINC000436905937 862082973 /nfs/dbraw/zinc/08/29/73/862082973.db2.gz BPYUDPOHNSMJLP-JTSKRJEESA-N -1 3 400.478 4.404 20 0 HIADHM O=C(Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1)NCc1ccccc1 ZINC000055491964 850038660 /nfs/dbraw/zinc/03/86/60/850038660.db2.gz YZGTUAGWVNGDLZ-UHFFFAOYSA-N -1 3 409.898 4.164 20 0 HIADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000436907464 862084034 /nfs/dbraw/zinc/08/40/34/862084034.db2.gz GKTVPVZYDYJFSF-AWEZNQCLSA-N -1 3 411.401 4.070 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@@H]1c1ccccc1 ZINC000436907454 862085384 /nfs/dbraw/zinc/08/53/84/862085384.db2.gz GGXLLQHFSVSVHK-DHIUTWEWSA-N -1 3 400.478 4.227 20 0 HIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(-c2cccnc2-n2cccn2)no1 ZINC000436912442 862089180 /nfs/dbraw/zinc/08/91/80/862089180.db2.gz WVKGDGJIUXLKSG-UHFFFAOYSA-N -1 3 411.421 4.269 20 0 HIADHM CN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436909968 862086385 /nfs/dbraw/zinc/08/63/85/862086385.db2.gz BKPFBMXSZXZKJR-JOCHJYFZSA-N -1 3 424.447 4.190 20 0 HIADHM Cc1cccc(CN(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436911205 862089518 /nfs/dbraw/zinc/08/95/18/862089518.db2.gz FHWZFTKBGWTXBZ-HSZRJFAPSA-N -1 3 402.494 4.220 20 0 HIADHM Cc1ccccc1C[C@@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436911811 862089757 /nfs/dbraw/zinc/08/97/57/862089757.db2.gz REAMSFORVFBWOH-NTKDMRAZSA-N -1 3 416.521 4.309 20 0 HIADHM CCOc1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436912826 862092043 /nfs/dbraw/zinc/09/20/43/862092043.db2.gz UDWQGPCMBYPHFA-QFIPXVFZSA-N -1 3 404.466 4.291 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1(Cc2ccccc2)CC1 ZINC000436914414 862093202 /nfs/dbraw/zinc/09/32/02/862093202.db2.gz LLZRBXQZEMSWAE-QHCPKHFHSA-N -1 3 414.505 4.145 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1nc2c(s1)CCCC2 ZINC000436914647 862093969 /nfs/dbraw/zinc/09/39/69/862093969.db2.gz LZTVKBDVUPDIJP-LJQANCHMSA-N -1 3 421.522 4.227 20 0 HIADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1c[nH]nc1-c1ccccc1Cl ZINC000436917040 862098703 /nfs/dbraw/zinc/09/87/03/862098703.db2.gz YFGKWGYWQQWOFP-UHFFFAOYSA-N -1 3 415.240 4.127 20 0 HIADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)c([O-])c2O1 ZINC000436919486 862100395 /nfs/dbraw/zinc/10/03/95/862100395.db2.gz LKWQLQGVQWCFKF-HNNXBMFYSA-N -1 3 400.450 4.088 20 0 HIADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436923177 862103781 /nfs/dbraw/zinc/10/37/81/862103781.db2.gz RZGLCXHAWHAUOH-GOSISDBHSA-N -1 3 423.557 4.192 20 0 HIADHM CCOc1ccccc1Oc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cn1 ZINC000056076677 850238899 /nfs/dbraw/zinc/23/88/99/850238899.db2.gz TYODBTNQYXOQAN-UHFFFAOYSA-N -1 3 415.449 4.044 20 0 HIADHM Cc1c([O-])ccc2c(CNc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc(=O)oc12 ZINC000056177813 850273782 /nfs/dbraw/zinc/27/37/82/850273782.db2.gz RHQXGLBEVVEFFV-KBPBESRZSA-N -1 3 412.461 4.172 20 0 HIADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436943777 862123187 /nfs/dbraw/zinc/12/31/87/862123187.db2.gz KZAHKVHWWGIAFE-SFHVURJKSA-N -1 3 424.541 4.012 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cscc1-c1ccccc1 ZINC000436948308 862125049 /nfs/dbraw/zinc/12/50/49/862125049.db2.gz UKDLOYFMRRMADY-UHFFFAOYSA-N -1 3 406.507 4.155 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C2CCCCC2)cc1 ZINC000436949186 862125179 /nfs/dbraw/zinc/12/51/79/862125179.db2.gz YEGVTZSWJAHPOE-UHFFFAOYSA-N -1 3 406.526 4.475 20 0 HIADHM CCN(Cc1cccc(Cl)c1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436950951 862127446 /nfs/dbraw/zinc/12/74/46/862127446.db2.gz QMTNENIYWJNOGO-UHFFFAOYSA-N -1 3 413.861 4.257 20 0 HIADHM COc1ccc([O-])c(-c2nc(-c3ccc(Br)cc3OC(F)F)no2)c1 ZINC000436952327 862131550 /nfs/dbraw/zinc/13/15/50/862131550.db2.gz VOQDQQFDPKVCOV-UHFFFAOYSA-N -1 3 413.174 4.482 20 0 HIADHM Cn1nc(-c2ccccc2)nc1Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436959041 862138223 /nfs/dbraw/zinc/13/82/23/862138223.db2.gz LHWLXCUNGFYTNJ-UHFFFAOYSA-N -1 3 423.476 4.419 20 0 HIADHM CC(C)C[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1cccs1 ZINC000057394430 850628365 /nfs/dbraw/zinc/62/83/65/850628365.db2.gz GWVXVCYXUWGDPF-CQSZACIVSA-N -1 3 410.337 4.242 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1 ZINC000436972857 862151167 /nfs/dbraw/zinc/15/11/67/862151167.db2.gz VGLKNBKCBGWMLC-RNODOKPDSA-N -1 3 423.444 4.303 20 0 HIADHM CCN1CCc2nc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])sc2C1 ZINC000436976178 862153611 /nfs/dbraw/zinc/15/36/11/862153611.db2.gz AYENKDASECRWLH-UHFFFAOYSA-N -1 3 409.511 4.058 20 0 HIADHM CCCCOc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c([O-])c1 ZINC000436974322 862154529 /nfs/dbraw/zinc/15/45/29/862154529.db2.gz XXWYTIKHKKYXES-UHFFFAOYSA-N -1 3 420.513 4.376 20 0 HIADHM Cc1nc(C)c(CCC(=O)Nc2ccccc2-c2nc3ccccc3s2)c(=O)[n-]1 ZINC000057770919 850711269 /nfs/dbraw/zinc/71/12/69/850711269.db2.gz DVJWEDNMZLTVEI-UHFFFAOYSA-N -1 3 404.495 4.235 20 0 HIADHM CCCCOc1ccc(C(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c([O-])c1 ZINC000436985036 862163070 /nfs/dbraw/zinc/16/30/70/862163070.db2.gz GGGRXCOEBBWEHN-GFCCVEGCSA-N -1 3 413.440 4.438 20 0 HIADHM CSCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000058059505 850759479 /nfs/dbraw/zinc/75/94/79/850759479.db2.gz CPFRAHZYEDRARK-UHFFFAOYSA-N -1 3 419.355 4.486 20 0 HIADHM O=C(Nc1nnc(-c2ccccn2)s1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436987290 862164568 /nfs/dbraw/zinc/16/45/68/862164568.db2.gz IRXLCLZVPYNZNU-UHFFFAOYSA-N -1 3 404.451 4.137 20 0 HIADHM CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000058206475 850781463 /nfs/dbraw/zinc/78/14/63/850781463.db2.gz GECHDYLATCCPQE-FUHWJXTLSA-N -1 3 407.628 4.038 20 0 HIADHM CCCCOc1ccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)c([O-])c1 ZINC000436989413 862167944 /nfs/dbraw/zinc/16/79/44/862167944.db2.gz ZVGAHYQBQXEDTI-UHFFFAOYSA-N -1 3 422.323 4.007 20 0 HIADHM CCCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000058272185 850790513 /nfs/dbraw/zinc/79/05/13/850790513.db2.gz FSPQIBXZFMPCAY-UHFFFAOYSA-N -1 3 418.412 4.041 20 0 HIADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000437005228 862179177 /nfs/dbraw/zinc/17/91/77/862179177.db2.gz VTRHKEVEUABTBS-HNNXBMFYSA-N -1 3 412.795 4.308 20 0 HIADHM Cc1c(Cl)c(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])nc2ccccc12 ZINC000058721821 850900959 /nfs/dbraw/zinc/90/09/59/850900959.db2.gz HYNRWQPLZGPUQS-IBGZPJMESA-N -1 3 424.884 4.250 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(c4ccc(OC)cc4)CCCC3)c2)n1 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CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)cc2C[C@H]1C ZINC000410423993 855991483 /nfs/dbraw/zinc/99/14/83/855991483.db2.gz QLNFOKZVANRWCS-SECBINFHSA-N -1 3 417.289 4.231 20 0 HIADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nc(C(F)(F)F)cs1 ZINC000425949181 856013761 /nfs/dbraw/zinc/01/37/61/856013761.db2.gz DXGRYGSMSQDRSV-ZETCQYMHSA-N -1 3 424.242 4.190 20 0 HIADHM C[C@H]1CCCN1C(=O)c1ccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)cc1 ZINC000426123767 856122728 /nfs/dbraw/zinc/12/27/28/856122728.db2.gz PREDXOWFKAYTGO-LBPRGKRZSA-N -1 3 401.388 4.233 20 0 HIADHM CCO[C@H]1C[C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCCCC2 ZINC000426622326 856378227 /nfs/dbraw/zinc/37/82/27/856378227.db2.gz FENHHVMIMROMQH-PMACEKPBSA-N -1 3 410.518 4.407 20 0 HIADHM O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1cc([O-])c2ccccc2c1 ZINC000426665185 856402189 /nfs/dbraw/zinc/40/21/89/856402189.db2.gz VPCWWMGMYTYWTO-UHFFFAOYSA-N -1 3 400.837 4.427 20 0 HIADHM O=C([O-])c1ccc(N2CCC(NCc3cc(F)ccc3Br)CC2)cc1 ZINC000426668834 856403290 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ZINC000426826682 856500556 /nfs/dbraw/zinc/50/05/56/856500556.db2.gz UEVYMGNJEAMKOD-JOCHJYFZSA-N -1 3 413.420 4.468 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000427069451 856619001 /nfs/dbraw/zinc/61/90/01/856619001.db2.gz KRMWOKHRKKMNLK-UHFFFAOYSA-N -1 3 401.495 4.335 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000427069451 856619006 /nfs/dbraw/zinc/61/90/06/856619006.db2.gz KRMWOKHRKKMNLK-UHFFFAOYSA-N -1 3 401.495 4.335 20 0 HIADHM Cc1nc(C)c(CC(=O)N(Cc2ccccc2Br)C2CCCC2)c(=O)[n-]1 ZINC000427092303 856630726 /nfs/dbraw/zinc/63/07/26/856630726.db2.gz IXFOZEYJWLRDKK-UHFFFAOYSA-N -1 3 418.335 4.075 20 0 HIADHM O=C(Nc1cccn(Cc2ccccc2)c1=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000427142521 856666731 /nfs/dbraw/zinc/66/67/31/856666731.db2.gz JAAUHIMQRMXVHO-UHFFFAOYSA-N -1 3 410.886 4.254 20 0 HIADHM Cn1c2cc([O-])c(NC(=O)C3(c4cccc(Cl)c4)CCCCC3)cc2n(C)c1=O ZINC000427991787 857035323 /nfs/dbraw/zinc/03/53/23/857035323.db2.gz KTOWDAWXNLBVDL-UHFFFAOYSA-N -1 3 413.905 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ZINC000430471244 858183738 /nfs/dbraw/zinc/18/37/38/858183738.db2.gz JOEPRMOUDCIAEP-YJBOKZPZSA-N -1 3 416.543 4.065 20 0 HIADHM CSCCCCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430565487 858220321 /nfs/dbraw/zinc/22/03/21/858220321.db2.gz AKHYWGPJPYDKGC-UHFFFAOYSA-N -1 3 417.756 4.207 20 0 HIADHM O=C(Nc1ccc(CCO)cc1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430574543 858224075 /nfs/dbraw/zinc/22/40/75/858224075.db2.gz OGVUZANHPFDBQU-UHFFFAOYSA-N -1 3 400.434 4.108 20 0 HIADHM CC[C@@H](C)n1nc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)cc1C ZINC000430591867 858229558 /nfs/dbraw/zinc/22/95/58/858229558.db2.gz OYZHLMBEINCJRL-OAHLLOKOSA-N -1 3 416.481 5.049 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ncccc3OCC(F)(F)F)c2)n1 ZINC000437676231 863017808 /nfs/dbraw/zinc/01/78/08/863017808.db2.gz JQWDVUDGDXUNAR-UHFFFAOYSA-N -1 3 418.375 4.000 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CC(C)(C)c3ccccc32)cc1OC ZINC000431376604 858585029 /nfs/dbraw/zinc/58/50/29/858585029.db2.gz MZIBICZFWAKHJH-SFHVURJKSA-N 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ZINC000432704793 859306127 /nfs/dbraw/zinc/30/61/27/859306127.db2.gz DQFTVTPOJZBELA-NTCAYCPXSA-N -1 3 413.271 4.030 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)cc1C(C)C ZINC000432765190 859344725 /nfs/dbraw/zinc/34/47/25/859344725.db2.gz YKKFGUSLRYZQLX-UHFFFAOYSA-N -1 3 418.559 4.374 20 0 HIADHM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1Cl ZINC000432768281 859348990 /nfs/dbraw/zinc/34/89/90/859348990.db2.gz WUHJBOUYPCDFQX-UHFFFAOYSA-N -1 3 423.966 4.125 20 0 HIADHM O=c1nc(CN2CCC(CO)(c3ccccc3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000433047465 859498564 /nfs/dbraw/zinc/49/85/64/859498564.db2.gz KDGFPYJQZTYFIN-UHFFFAOYSA-N -1 3 421.522 4.183 20 0 HIADHM CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000433344137 859655413 /nfs/dbraw/zinc/65/54/13/859655413.db2.gz QGPOOYAYAPIOSL-UHFFFAOYSA-N -1 3 416.474 4.337 20 0 HIADHM CN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccc([O-])c(Br)c1 ZINC000433380398 859666056 /nfs/dbraw/zinc/66/60/56/859666056.db2.gz BIVUWBIAVWYSMF-CQSZACIVSA-N -1 3 412.081 4.114 20 0 HIADHM CN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467669067 881462701 /nfs/dbraw/zinc/46/27/01/881462701.db2.gz MNORKBWWUAHHSM-IBGZPJMESA-N -1 3 421.950 4.110 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000433627508 859816456 /nfs/dbraw/zinc/81/64/56/859816456.db2.gz AZCVXBXNKMJTQT-AWEZNQCLSA-N -1 3 421.188 4.239 20 0 HIADHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1Cl ZINC000433802712 859900650 /nfs/dbraw/zinc/90/06/50/859900650.db2.gz AANIMQPEOVPQRM-UHFFFAOYSA-N -1 3 412.639 4.190 20 0 HIADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccncc2)sc1Br ZINC000433842984 859928183 /nfs/dbraw/zinc/92/81/83/859928183.db2.gz KRLSDSVKWOHQOD-MRXNPFEDSA-N -1 3 423.357 4.282 20 0 HIADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)sc1Br ZINC000433848649 859931585 /nfs/dbraw/zinc/93/15/85/859931585.db2.gz XEIXBVKGESMXLH-UKRRQHHQSA-N -1 3 416.362 4.018 20 0 HIADHM COc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000434218942 860204035 /nfs/dbraw/zinc/20/40/35/860204035.db2.gz UQLXCSHUBPNNDO-HUUCEWRRSA-N -1 3 420.918 4.134 20 0 HIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000434534972 860390568 /nfs/dbraw/zinc/39/05/68/860390568.db2.gz KVIYRTBLEYJPIJ-HXUWFJFHSA-N -1 3 424.451 4.127 20 0 HIADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC000434634277 860441461 /nfs/dbraw/zinc/44/14/61/860441461.db2.gz QZVIJMDRITWCFX-UHFFFAOYSA-N -1 3 406.248 4.154 20 0 HIADHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1)c1cc(F)ccc1Br ZINC000434957324 860573443 /nfs/dbraw/zinc/57/34/43/860573443.db2.gz BXZUTTHXGOVFQH-UHFFFAOYSA-N -1 3 412.202 4.086 20 0 HIADHM Cc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1-c1cc(C)ccc1C ZINC000435063517 860624217 /nfs/dbraw/zinc/62/42/17/860624217.db2.gz KRGBOZKVDGATPK-UHFFFAOYSA-N -1 3 413.481 4.109 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c(Br)c1 ZINC000435134002 860657553 /nfs/dbraw/zinc/65/75/53/860657553.db2.gz VCKIBNYJHGXRAR-UHFFFAOYSA-N -1 3 423.101 4.460 20 0 HIADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2Br)c1 ZINC000435146610 860665552 /nfs/dbraw/zinc/66/55/52/860665552.db2.gz NCUUQMUGNKERFL-UHFFFAOYSA-N -1 3 417.712 4.170 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)s1 ZINC000435594709 860901119 /nfs/dbraw/zinc/90/11/19/860901119.db2.gz SCOVCHIRHVHEFB-MJHDQNEOSA-N -1 3 422.316 4.322 20 0 HIADHM O=C(NC[C@@H]1CCC(F)(F)C1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000437814741 863148411 /nfs/dbraw/zinc/14/84/11/863148411.db2.gz JIPCLYBBKZEMIC-MRVPVSSYSA-N -1 3 419.653 4.109 20 0 HIADHM Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[N-]c1n[nH]c(-c2ccccn2)n1 ZINC000438238513 863688656 /nfs/dbraw/zinc/68/86/56/863688656.db2.gz KJPWGHJULKPKIP-UHFFFAOYSA-N -1 3 415.240 4.389 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)nc21 ZINC000438357037 863823119 /nfs/dbraw/zinc/82/31/19/863823119.db2.gz WIANCIPMDWICEA-UHFFFAOYSA-N -1 3 403.394 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O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000461331986 874343430 /nfs/dbraw/zinc/34/34/30/874343430.db2.gz IXUVRWGSBVSGJT-CGTJXYLNSA-N -1 3 416.518 4.325 20 0 HIADHM O=C(NCCCc1ccccc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000468757445 882845213 /nfs/dbraw/zinc/84/52/13/882845213.db2.gz APNQFUSPHRXKTG-UHFFFAOYSA-N -1 3 419.706 4.307 20 0 HIADHM C[C@@H]1CN(Cc2ccccc2NC(=O)CCCc2ccc([O-])c(F)c2)C[C@@H](C)O1 ZINC000468800156 882865402 /nfs/dbraw/zinc/86/54/02/882865402.db2.gz BQDYXIVLNCMZFD-IAGOWNOFSA-N -1 3 400.494 4.102 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c[nH]nc3-c3ccc(F)cc3)c2)n1 ZINC000461875300 875028384 /nfs/dbraw/zinc/02/83/84/875028384.db2.gz BLEPOOQLUKOOOY-UHFFFAOYSA-N -1 3 403.417 4.193 20 0 HIADHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2sc(C)cc2Br)cc1 ZINC000462293530 875416511 /nfs/dbraw/zinc/41/65/11/875416511.db2.gz DHUKHDOCWJOADC-NSHDSACASA-N -1 3 418.378 4.300 20 0 HIADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1nc(C)cs1 ZINC000462316079 875436300 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Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)c2ccc(F)cc2F)s1 ZINC000462655342 875761771 /nfs/dbraw/zinc/76/17/71/875761771.db2.gz FTCVBNLFWKCGBH-QMMMGPOBSA-N -1 3 410.305 4.179 20 0 HIADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1cc(C(F)(F)F)ccc1F ZINC000462673332 875770314 /nfs/dbraw/zinc/77/03/14/875770314.db2.gz FQMLNPKDQCKDQN-HOCLYGCPSA-N -1 3 403.397 4.043 20 0 HIADHM CCOc1ccccc1OCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000463043178 876069030 /nfs/dbraw/zinc/06/90/30/876069030.db2.gz JFAOSEMYTSOJHO-UHFFFAOYSA-N -1 3 408.483 4.091 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cc(-c2cccc(Cl)c2)nn1CCO ZINC000468981234 883047901 /nfs/dbraw/zinc/04/79/01/883047901.db2.gz PZTSOUDCVAUGLQ-UHFFFAOYSA-N -1 3 417.868 4.002 20 0 HIADHM O=C(NCc1ccccc1F)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469017952 883084492 /nfs/dbraw/zinc/08/44/92/883084492.db2.gz RRBHKNWVGHOFBN-UHFFFAOYSA-N -1 3 409.642 4.013 20 0 HIADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000463910650 877031922 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YEZNKPAOGKMOCM-MNOVXSKESA-N -1 3 412.558 4.132 20 0 HIADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000466871253 880639546 /nfs/dbraw/zinc/63/95/46/880639546.db2.gz GADVUDKQBIYUIY-SECBINFHSA-N -1 3 402.822 4.384 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCCC3CCOCC3)cc2)cc1 ZINC000466943785 880716849 /nfs/dbraw/zinc/71/68/49/880716849.db2.gz RKQZDLCMFGEYJJ-UHFFFAOYSA-N -1 3 416.543 4.331 20 0 HIADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000467089299 880855563 /nfs/dbraw/zinc/85/55/63/880855563.db2.gz GGTSQBIMRMZGDV-UHFFFAOYSA-N -1 3 401.532 4.459 20 0 HIADHM COCC[C@H]1CCCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000467265906 881005578 /nfs/dbraw/zinc/00/55/78/881005578.db2.gz ZYCWRPPWWWJHMR-OAHLLOKOSA-N -1 3 415.534 4.429 20 0 HIADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@@H]3C)cc2C)ccc1F ZINC000467427382 881218362 /nfs/dbraw/zinc/21/83/62/881218362.db2.gz KKPUSBLLEGPOGV-HNNXBMFYSA-N -1 3 419.522 4.272 20 0 HIADHM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000469048236 883121289 /nfs/dbraw/zinc/12/12/89/883121289.db2.gz UKOZJPZHSPNTDA-ZDUSSCGKSA-N -1 3 420.494 4.227 20 0 HIADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000469121570 883217361 /nfs/dbraw/zinc/21/73/61/883217361.db2.gz YANLDDUXWXTEFV-BXKMTCNYSA-N -1 3 415.505 4.296 20 0 HIADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)sc1C ZINC000469236224 883334838 /nfs/dbraw/zinc/33/48/38/883334838.db2.gz OQHJTZTXNQRVNS-UHFFFAOYSA-N -1 3 400.953 4.071 20 0 HIADHM CC(C)OC(=O)c1c([N-]C(=O)c2cc(-c3ccccn3)no2)sc2c1CCCC2 ZINC000469549049 883809427 /nfs/dbraw/zinc/80/94/27/883809427.db2.gz GLOJJJWFOVXGIP-UHFFFAOYSA-N -1 3 411.483 4.494 20 0 HIADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000469721156 883886167 /nfs/dbraw/zinc/88/61/67/883886167.db2.gz NYKXFKDDNRCDHZ-GHMZBOCLSA-N -1 3 409.711 4.206 20 0 HIADHM COC(=O)c1sc2[n-]c(CN3CCCC4(CCCCC4)CC3)nc(=O)c2c1C ZINC000469841693 884024254 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4.195 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(=O)[nH]c(C4CC4)c3)cc2)cc1 ZINC000472240861 887048933 /nfs/dbraw/zinc/04/89/33/887048933.db2.gz LXVRUVABQTVMLH-UHFFFAOYSA-N -1 3 423.494 4.026 20 0 HIADHM CC(C)(COc1ncccc1Br)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472352322 887186736 /nfs/dbraw/zinc/18/67/36/887186736.db2.gz WTCJUXJRIBUHSF-UHFFFAOYSA-N -1 3 415.287 4.290 20 0 HIADHM CCO[C@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)C ZINC000472794270 887639712 /nfs/dbraw/zinc/63/97/12/887639712.db2.gz QVOAVQIYRYGXLO-LJQANCHMSA-N -1 3 422.522 4.325 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)c(C)c1F ZINC000473434815 888154392 /nfs/dbraw/zinc/15/43/92/888154392.db2.gz NZNCZJCRPHJPAB-UHFFFAOYSA-N -1 3 406.248 4.154 20 0 HIADHM O=c1nc(CN2CCSC[C@@H]2c2nccs2)[n-]c2scc(-c3ccco3)c21 ZINC000473451593 888176182 /nfs/dbraw/zinc/17/61/82/888176182.db2.gz WVTPPUKMYTUGGZ-GFCCVEGCSA-N -1 3 416.553 4.404 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OC)cc3OC(F)F)c2)n1 ZINC000473481367 888203880 /nfs/dbraw/zinc/20/38/80/888203880.db2.gz INAITLYLTYMLQP-UHFFFAOYSA-N -1 3 415.396 4.274 20 0 HIADHM O=C(NCc1ncccc1[O-])c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000473630321 888370696 /nfs/dbraw/zinc/37/06/96/888370696.db2.gz MWBFTZWRGXCTCH-UHFFFAOYSA-N -1 3 401.249 4.255 20 0 HIADHM O=C(NCc1ncccc1[O-])c1ccccc1OCc1ccc(Br)cc1 ZINC000473637623 888379823 /nfs/dbraw/zinc/37/98/23/888379823.db2.gz WMRSMZBLRBOTLS-UHFFFAOYSA-N -1 3 413.271 4.059 20 0 HIADHM Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1ncccc1[O-] ZINC000473643832 888390050 /nfs/dbraw/zinc/39/00/50/888390050.db2.gz SKQCQFNYUDWNHY-UHFFFAOYSA-N -1 3 403.438 4.054 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(COCC(F)(F)F)cc2)sc1Cl ZINC000473903547 888779576 /nfs/dbraw/zinc/77/95/76/888779576.db2.gz PMSSINNQZWPSFN-UHFFFAOYSA-N -1 3 413.870 4.267 20 0 HIADHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(F)c1Cl ZINC000473907772 888784150 /nfs/dbraw/zinc/78/41/50/888784150.db2.gz CBBGKEFUHMCAJA-UHFFFAOYSA-N -1 3 417.333 4.075 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000473909688 888787505 /nfs/dbraw/zinc/78/75/05/888787505.db2.gz CEBNRXWTKOFZNW-NRFANRHFSA-N -1 3 401.495 4.263 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000473909688 888787525 /nfs/dbraw/zinc/78/75/25/888787525.db2.gz CEBNRXWTKOFZNW-NRFANRHFSA-N -1 3 401.495 4.263 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000473927500 888807112 /nfs/dbraw/zinc/80/71/12/888807112.db2.gz JKIIOUMGYUDPFX-UHFFFAOYSA-N -1 3 408.465 4.046 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000473927500 888807113 /nfs/dbraw/zinc/80/71/13/888807113.db2.gz JKIIOUMGYUDPFX-UHFFFAOYSA-N -1 3 408.465 4.046 20 0 HIADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)sc1Cl ZINC000473936130 888814351 /nfs/dbraw/zinc/81/43/51/888814351.db2.gz IUNOAJNFHIRNGP-VIFPVBQESA-N -1 3 415.890 4.125 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCCN3Cc3ccc(F)cc3)c2)n1 ZINC000474332199 889205504 /nfs/dbraw/zinc/20/55/04/889205504.db2.gz PNVIHJBQCJNWKV-OAQYLSRUSA-N -1 3 420.488 4.154 20 0 HIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000474352545 889231505 /nfs/dbraw/zinc/23/15/05/889231505.db2.gz OVSAUSZZKNHYEM-UHFFFAOYSA-N -1 3 404.542 4.381 20 0 HIADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccccc1-c1cccs1 ZINC000504622722 913375819 /nfs/dbraw/zinc/37/58/19/913375819.db2.gz YNIPGHCTUXDPEU-UHFFFAOYSA-N -1 3 412.945 4.047 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCc4[nH]c(C(C)C)nc4C3)c2)n1 ZINC000474901301 889761006 /nfs/dbraw/zinc/76/10/06/889761006.db2.gz PWDQDNHBKNCVHR-OAHLLOKOSA-N -1 3 405.502 4.002 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCc4nc(C(C)C)[nH]c4C3)c2)n1 ZINC000474901301 889761011 /nfs/dbraw/zinc/76/10/11/889761011.db2.gz PWDQDNHBKNCVHR-OAHLLOKOSA-N -1 3 405.502 4.002 20 0 HIADHM CCSc1nnc([N-]C(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)s1 ZINC000475101241 889948826 /nfs/dbraw/zinc/94/88/26/889948826.db2.gz BVQQZQDVGZZXHB-UHFFFAOYSA-N -1 3 405.451 4.412 20 0 HIADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccnc1)c1ccc(Br)cc1F ZINC000475787726 890728008 /nfs/dbraw/zinc/72/80/08/890728008.db2.gz KZCXOTZDXAVKAR-GOSISDBHSA-N -1 3 421.291 4.051 20 0 HIADHM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3F)ccc2s1 ZINC000475796199 890732956 /nfs/dbraw/zinc/73/29/56/890732956.db2.gz XRYLOLFREJNLLI-UHFFFAOYSA-N -1 3 415.414 4.296 20 0 HIADHM CCOc1ccccc1[C@@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)NC(C)=O ZINC000476134109 891056667 /nfs/dbraw/zinc/05/66/67/891056667.db2.gz DOKCUTCZGVISDL-MRXNPFEDSA-N -1 3 410.392 4.016 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000476275668 891195338 /nfs/dbraw/zinc/19/53/38/891195338.db2.gz KMLAUBLLNRMFAO-UHFFFAOYSA-N -1 3 413.359 4.322 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000476275668 891195349 /nfs/dbraw/zinc/19/53/49/891195349.db2.gz KMLAUBLLNRMFAO-UHFFFAOYSA-N -1 3 413.359 4.322 20 0 HIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)c(C)c1 ZINC000476409557 891323692 /nfs/dbraw/zinc/32/36/92/891323692.db2.gz URHHKQAXMUENJM-UHFFFAOYSA-N -1 3 416.474 4.308 20 0 HIADHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000476430014 891343024 /nfs/dbraw/zinc/34/30/24/891343024.db2.gz OKPLMOWUIZSHHA-UHFFFAOYSA-N -1 3 416.877 4.291 20 0 HIADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1 ZINC000476601049 891533530 /nfs/dbraw/zinc/53/35/30/891533530.db2.gz RNQKLLKYXQUPHC-UHFFFAOYSA-N -1 3 403.891 4.346 20 0 HIADHM O=C(NC1(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000476698408 891655148 /nfs/dbraw/zinc/65/51/48/891655148.db2.gz MVLBQHBLFZNBFL-UHFFFAOYSA-N -1 3 424.497 4.132 20 0 HIADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc(F)c(Br)cc2Cl)s1 ZINC000476883609 891841455 /nfs/dbraw/zinc/84/14/55/891841455.db2.gz JDVYLNKEDXHFOG-UHFFFAOYSA-N -1 3 416.663 4.044 20 0 HIADHM Cc1cc(Cl)cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000477113702 892043527 /nfs/dbraw/zinc/04/35/27/892043527.db2.gz RUXSCYSKPDTNLG-UHFFFAOYSA-N -1 3 406.813 4.291 20 0 HIADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)[n-]1 ZINC000477181517 892101246 /nfs/dbraw/zinc/10/12/46/892101246.db2.gz WWRRPTCFYOMVKI-UHFFFAOYSA-N -1 3 420.288 4.248 20 0 HIADHM Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCc4nc[n-]c(=O)c4C3)o2)cc1 ZINC000477219168 892153590 /nfs/dbraw/zinc/15/35/90/892153590.db2.gz JJYJVDRYGUFFIJ-UHFFFAOYSA-N -1 3 412.449 4.011 20 0 HIADHM O=S(=O)([N-]c1cc(C(F)F)ccc1Cl)c1ccc(OCC(F)(F)F)nc1 ZINC000477246131 892196080 /nfs/dbraw/zinc/19/60/80/892196080.db2.gz AUAAVORQWRYLEJ-UHFFFAOYSA-N -1 3 416.755 4.415 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NCc3ncoc3-c3ccccc3)cc2)cc(=O)[n-]1 ZINC000477332927 892302143 /nfs/dbraw/zinc/30/21/43/892302143.db2.gz RMMGEFYXMMENOP-UHFFFAOYSA-N -1 3 401.426 4.134 20 0 HIADHM CCc1cc(=O)[n-]c(CSc2nc(CN3CCCC3)nc3sc(C)c(C)c32)n1 ZINC000477349566 892316748 /nfs/dbraw/zinc/31/67/48/892316748.db2.gz GKALDMVIMUWSMS-UHFFFAOYSA-N -1 3 415.588 4.254 20 0 HIADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2c(Cl)cccc2C(F)(F)F)n1 ZINC000477353067 892319885 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895033027 /nfs/dbraw/zinc/03/30/27/895033027.db2.gz KMKTVYLRXKDAMU-UHFFFAOYSA-N -1 3 409.833 4.349 20 0 HIADHM CCOc1ccc(Oc2ccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2)cc1 ZINC000479960174 895313443 /nfs/dbraw/zinc/31/34/43/895313443.db2.gz FVKIIFSBYKTYCO-UHFFFAOYSA-N -1 3 421.379 4.336 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](c4ccccc4Cl)OC[C@H]3C)nc2)n1 ZINC000480071646 895422629 /nfs/dbraw/zinc/42/26/29/895422629.db2.gz KHPTXOOPOOFRQV-AUUYWEPGSA-N -1 3 410.905 4.426 20 0 HIADHM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(CC(F)(F)F)cc1 ZINC000480187331 895582471 /nfs/dbraw/zinc/58/24/71/895582471.db2.gz BNIXPPMKWLCHOD-UHFFFAOYSA-N -1 3 412.202 4.494 20 0 HIADHM COCc1nc2scc(-c3ccccc3)c2c(NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC000480306684 895711045 /nfs/dbraw/zinc/71/10/45/895711045.db2.gz LGMLBMTWXLBSKC-UHFFFAOYSA-N -1 3 420.420 4.254 20 0 HIADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480422598 895818581 /nfs/dbraw/zinc/81/85/81/895818581.db2.gz XPFPMAPDUSEFCJ-ICSRJNTNSA-N -1 3 412.288 4.278 20 0 HIADHM Cc1cccc(COc2cccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)c1 ZINC000480587239 895949781 /nfs/dbraw/zinc/94/97/81/895949781.db2.gz WYSWXOBVLOCNTN-UHFFFAOYSA-N -1 3 405.380 4.033 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC4(CC4)c4ccccc43)nc(=O)c2c1C ZINC000481398346 896805065 /nfs/dbraw/zinc/80/50/65/896805065.db2.gz DZJMSOTUCXEXQU-CYBMUJFWSA-N -1 3 409.511 4.083 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)[C@@H](C)C2CCCCC2)cc1OC ZINC000481719990 897113809 /nfs/dbraw/zinc/11/38/09/897113809.db2.gz UWXSJXMTJDHOJY-HUUCEWRRSA-N -1 3 411.568 4.183 20 0 HIADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000481873414 897246020 /nfs/dbraw/zinc/24/60/20/897246020.db2.gz QZOWBBBIWGXLSI-MRVPVSSYSA-N -1 3 420.229 4.273 20 0 HIADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccncc1Br ZINC000481939243 897324224 /nfs/dbraw/zinc/32/42/24/897324224.db2.gz AMKGLWDSOHRDHK-UHFFFAOYSA-N -1 3 417.737 4.243 20 0 HIADHM O=C(CSc1cccc2cccc(Cl)c21)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482209209 897688245 /nfs/dbraw/zinc/68/82/45/897688245.db2.gz ISZMGMOAHRWXPC-UHFFFAOYSA-N -1 3 400.813 4.039 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000482222406 897701235 /nfs/dbraw/zinc/70/12/35/897701235.db2.gz RXWHAVJJZBKLOF-UHFFFAOYSA-N -1 3 409.418 4.092 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000482288568 897783672 /nfs/dbraw/zinc/78/36/72/897783672.db2.gz UPAXJDVGWNSWCA-QFBILLFUSA-N -1 3 419.319 4.122 20 0 HIADHM CSCc1cc(F)ccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482613278 898214764 /nfs/dbraw/zinc/21/47/64/898214764.db2.gz JIHQIPGERATGCN-UHFFFAOYSA-N -1 3 413.312 4.156 20 0 HIADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Oc1ccccc1Cl ZINC000482624715 898228679 /nfs/dbraw/zinc/22/86/79/898228679.db2.gz WFBZFNFWNZGNAL-NSHDSACASA-N -1 3 413.699 4.075 20 0 HIADHM Cc1nc(C)c(CC(=O)N(C)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000482788526 898396791 /nfs/dbraw/zinc/39/67/91/898396791.db2.gz FWRWZZVTCRSHAC-OAQYLSRUSA-N -1 3 413.880 4.382 20 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899219141 /nfs/dbraw/zinc/21/91/41/899219141.db2.gz RGIQOMUUXFNFJD-SECBINFHSA-N -1 3 421.345 4.278 20 0 HIADHM CCSc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000505756661 914429068 /nfs/dbraw/zinc/42/90/68/914429068.db2.gz CDGPMDBHCYDUPL-UHFFFAOYSA-N -1 3 419.503 4.319 20 0 HIADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485132865 900434968 /nfs/dbraw/zinc/43/49/68/900434968.db2.gz MFCWKTZBRXRPBC-LRDDRELGSA-N -1 3 401.426 4.065 20 0 HIADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485132863 900435295 /nfs/dbraw/zinc/43/52/95/900435295.db2.gz MFCWKTZBRXRPBC-BLLLJJGKSA-N -1 3 401.426 4.065 20 0 HIADHM CCCc1c(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)[nH]c(C)c1C(=O)OC ZINC000485783435 901038033 /nfs/dbraw/zinc/03/80/33/901038033.db2.gz IHYWXTSLVQKZSS-UHFFFAOYSA-N -1 3 422.485 4.040 20 0 HIADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Br)c(C)cc2C)cc1 ZINC000486115618 901300503 /nfs/dbraw/zinc/30/05/03/901300503.db2.gz FDKINAFKCKFJRT-UHFFFAOYSA-N -1 3 411.321 4.215 20 0 HIADHM COc1cc(C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)cc(OC)c1[O-] ZINC000486238348 901420774 /nfs/dbraw/zinc/42/07/74/901420774.db2.gz WGAGQSXVMUHJIU-IBGZPJMESA-N -1 3 405.450 4.330 20 0 HIADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000486272336 901454582 /nfs/dbraw/zinc/45/45/82/901454582.db2.gz RHXXAVMMJYAAIZ-JTQLQIEISA-N -1 3 415.849 4.133 20 0 HIADHM COc1nc(C)c(Br)cc1C(=O)[N-]c1c(F)cc(C(C)=O)c(F)c1F ZINC000486434111 901593053 /nfs/dbraw/zinc/59/30/53/901593053.db2.gz OSIKQKVLDXYBCQ-UHFFFAOYSA-N -1 3 417.181 4.033 20 0 HIADHM CN(Cc1nc2ccccc2s1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486624186 901758411 /nfs/dbraw/zinc/75/84/11/901758411.db2.gz GLJOYEAPUOEGNQ-UHFFFAOYSA-N -1 3 406.305 4.106 20 0 HIADHM COc1cccc(C2CCN(C(=O)NCc3ccc([O-])c(Br)c3)CC2)c1 ZINC000486649093 901772780 /nfs/dbraw/zinc/77/27/80/901772780.db2.gz GEWSBHNKCDZDGQ-UHFFFAOYSA-N -1 3 419.319 4.253 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](c2cccc(Cl)c2)C(C)C)cc1OC ZINC000486681048 901793897 /nfs/dbraw/zinc/79/38/97/901793897.db2.gz CAOKQRHYUJIOHX-IBGZPJMESA-N -1 3 424.950 4.489 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)cc1Cl ZINC000486694292 901798923 /nfs/dbraw/zinc/79/89/23/901798923.db2.gz MARJDTHCAADYRI-JKSUJKDBSA-N -1 3 424.925 4.442 20 0 HIADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccccc1-c1ccno1 ZINC000486703430 901803108 /nfs/dbraw/zinc/80/31/08/901803108.db2.gz RZCQYIJHYQLPQG-INIZCTEOSA-N -1 3 400.353 4.063 20 0 HIADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000488264174 902735081 /nfs/dbraw/zinc/73/50/81/902735081.db2.gz JSVXRVJJNADXNP-UHFFFAOYSA-N -1 3 414.506 4.174 20 0 HIADHM Cc1ccc(-n2c(S[C@@H](C)c3nc(C)cc(=O)[n-]3)nnc2-c2ccncc2)cc1 ZINC000488561792 902884022 /nfs/dbraw/zinc/88/40/22/902884022.db2.gz HDTWFOAMBFRLOX-HNNXBMFYSA-N -1 3 404.499 4.295 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000488670374 902931301 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861441970 /nfs/dbraw/zinc/44/19/70/861441970.db2.gz CXJVDCSXXPWUBT-UHFFFAOYSA-N -1 3 406.242 4.234 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[C@@H]3C)ccc2C)c(C)c1 ZINC000436212079 861513426 /nfs/dbraw/zinc/51/34/26/861513426.db2.gz SQIAOBPYMPCPRA-SFHVURJKSA-N -1 3 400.544 4.346 20 0 HIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccccc3Br)nc(=O)c2c1C ZINC000004830221 845067608 /nfs/dbraw/zinc/06/76/08/845067608.db2.gz SJTZLFSOIZISQC-SECBINFHSA-N -1 3 407.289 4.282 20 0 HIADHM COCc1c2ccccc2oc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000004938726 845072921 /nfs/dbraw/zinc/07/29/21/845072921.db2.gz QIHCYVKFDATZTL-LLVKDONJSA-N -1 3 412.467 4.412 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nc4ccccc4[nH]3)nc(=O)c2c1C ZINC000005628456 845130815 /nfs/dbraw/zinc/13/08/15/845130815.db2.gz USLXYEWROGYSIZ-SNVBAGLBSA-N -1 3 414.512 4.199 20 0 HIADHM Cc1ccc(NC(=S)N[N-]C(=O)c2cc(Br)ccc2Cl)c(C)c1 ZINC000006964735 845226364 /nfs/dbraw/zinc/22/63/64/845226364.db2.gz AXLLYAPQTZXSFU-UHFFFAOYSA-N -1 3 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O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccncc1 ZINC000015501162 846054212 /nfs/dbraw/zinc/05/42/12/846054212.db2.gz HMMDYVOYLASMJA-UHFFFAOYSA-N -1 3 422.293 4.442 20 0 HIADHM C[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccccc1 ZINC000015744985 846089939 /nfs/dbraw/zinc/08/99/39/846089939.db2.gz VHUUOVSSQKUQJW-MRXNPFEDSA-N -1 3 412.486 4.160 20 0 HIADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@@H]1C ZINC000015792271 846092100 /nfs/dbraw/zinc/09/21/00/846092100.db2.gz FHFBXVZEJIYOOI-CLCXKQKWSA-N -1 3 404.507 4.181 20 0 HIADHM COCCOC(=O)c1sc2[n-]c(CSc3ccc(C)c(C)c3)nc(=O)c2c1C ZINC000016656100 846195072 /nfs/dbraw/zinc/19/50/72/846195072.db2.gz AHAYYUGNPKOEFH-UHFFFAOYSA-N -1 3 418.540 4.005 20 0 HIADHM O=S(=O)([N-][C@H]1CCSc2c(F)cccc21)c1ccc(Br)s1 ZINC000016736211 846204307 /nfs/dbraw/zinc/20/43/07/846204307.db2.gz ZVWAQFQGNJPDML-JTQLQIEISA-N -1 3 408.339 4.165 20 0 HIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(O)c4ccccc4c3O)nc(=O)c2c1C ZINC000018087856 846293813 /nfs/dbraw/zinc/29/38/13/846293813.db2.gz DSMSYYKJWQZHTH-SNVBAGLBSA-N -1 3 410.451 4.084 20 0 HIADHM Cc1cc(C)n2nc(S[C@@H](C)c3nc(=O)c4c(-c5ccco5)csc4[n-]3)nc2n1 ZINC000018257623 846316428 /nfs/dbraw/zinc/31/64/28/846316428.db2.gz TUZSLGMCRKLQRR-NSHDSACASA-N -1 3 424.511 4.152 20 0 HIADHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000018994861 846351848 /nfs/dbraw/zinc/35/18/48/846351848.db2.gz OVQDMKIYGUXFAQ-UHFFFAOYSA-N -1 3 410.120 4.447 20 0 HIADHM CSc1ccc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1NC(C)=O ZINC000021730965 846488624 /nfs/dbraw/zinc/48/86/24/846488624.db2.gz LYPPEXBKOMDSKT-UHFFFAOYSA-N -1 3 401.271 4.042 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)CC[C@H]3C)c2)cc1 ZINC000436368679 861706645 /nfs/dbraw/zinc/70/66/45/861706645.db2.gz QBLRNIQVWDRPBU-DOTOQJQBSA-N -1 3 416.543 4.065 20 0 HIADHM CCOc1ccc(OC[C@@H](O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000024085913 846786630 /nfs/dbraw/zinc/78/66/30/846786630.db2.gz MTGXKUZSYATKKJ-CYBMUJFWSA-N -1 3 421.519 4.352 20 0 HIADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000024224841 846804766 /nfs/dbraw/zinc/80/47/66/846804766.db2.gz NHQPJMYWOUFUSN-JTQLQIEISA-N -1 3 404.713 4.151 20 0 HIADHM CC(C)(C)c1ccc(/C=C/C(=O)N[N-]C(=O)c2ccccc2Br)cc1 ZINC000024365971 846818404 /nfs/dbraw/zinc/81/84/04/846818404.db2.gz JATIXPNQLFKXEC-JLHYYAGUSA-N -1 3 401.304 4.221 20 0 HIADHM Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024890343 846883278 /nfs/dbraw/zinc/88/32/78/846883278.db2.gz DFMADCANQOYZES-UHFFFAOYSA-N -1 3 423.288 4.128 20 0 HIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000024891812 846883964 /nfs/dbraw/zinc/88/39/64/846883964.db2.gz CBFKIDJSDCBVIT-UHFFFAOYSA-N -1 3 402.447 4.029 20 0 HIADHM CSc1cccc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000025418723 846975713 /nfs/dbraw/zinc/97/57/13/846975713.db2.gz RHFXNQUTEPAHEK-UHFFFAOYSA-N -1 3 419.355 4.022 20 0 HIADHM O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1c[n-]c2ccccc2c1=O ZINC000026261519 847117129 /nfs/dbraw/zinc/11/71/29/847117129.db2.gz NRXUVCIBSKDSSE-UHFFFAOYSA-N -1 3 405.841 4.408 20 0 HIADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000026529465 847163317 /nfs/dbraw/zinc/16/33/17/847163317.db2.gz VBDNJSUGFRPTTI-UHFFFAOYSA-N -1 3 409.813 4.185 20 0 HIADHM CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000467523497 881341646 /nfs/dbraw/zinc/34/16/46/881341646.db2.gz QZSHNJINZQPKRS-YWZLYKJASA-N -1 3 422.953 4.208 20 0 HIADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000028082240 847382982 /nfs/dbraw/zinc/38/29/82/847382982.db2.gz KESOOKTUWCDUMG-UHFFFAOYSA-N -1 3 401.797 4.345 20 0 HIADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)cc2C[C@@H]1C ZINC000028260719 847399379 /nfs/dbraw/zinc/39/93/79/847399379.db2.gz RARUUPAMXXMAID-HNNXBMFYSA-N -1 3 414.527 4.106 20 0 HIADHM Cc1c([O-])ccc2c(CNc3ccc(NC(=O)NCc4ccco4)cc3)cc(=O)oc12 ZINC000029719864 847607697 /nfs/dbraw/zinc/60/76/97/847607697.db2.gz JBHDSAJEYZFITF-UHFFFAOYSA-N -1 3 419.437 4.334 20 0 HIADHM CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(OC)cc1[O-] ZINC000436523036 861834304 /nfs/dbraw/zinc/83/43/04/861834304.db2.gz YQMLSNJXFPSDKM-UHFFFAOYSA-N -1 3 411.285 4.199 20 0 HIADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436526200 861836054 /nfs/dbraw/zinc/83/60/54/861836054.db2.gz QAUVZAORQAOUOX-LAMXGVLKSA-N -1 3 414.505 4.303 20 0 HIADHM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)C1 ZINC000436530276 861836892 /nfs/dbraw/zinc/83/68/92/861836892.db2.gz UIELOENYSMESIU-GOSISDBHSA-N -1 3 422.525 4.295 20 0 HIADHM COc1ccc([C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)c2ccc(F)cc2)cc1 ZINC000436530801 861837821 /nfs/dbraw/zinc/83/78/21/861837821.db2.gz BKEBNDUATNCJPO-OAQYLSRUSA-N -1 3 411.429 4.077 20 0 HIADHM CCCc1csc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436535037 861839006 /nfs/dbraw/zinc/83/90/06/861839006.db2.gz MOVBEEUXNKOVOG-IBGZPJMESA-N -1 3 409.511 4.301 20 0 HIADHM Cc1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc2n[nH]cc21 ZINC000436537477 861841387 /nfs/dbraw/zinc/84/13/87/861841387.db2.gz RQMMCMCSUUPNJN-NRFANRHFSA-N -1 3 414.465 4.077 20 0 HIADHM O=c1[n-]nc(SCc2csc(Cc3ccccc3)n2)n1CCc1ccccc1 ZINC000031651907 847923632 /nfs/dbraw/zinc/92/36/32/847923632.db2.gz JECBVALMEXRZCW-UHFFFAOYSA-N -1 3 408.552 4.154 20 0 HIADHM O=C(Nc1cc(Br)c[nH]c1=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436545578 861844747 /nfs/dbraw/zinc/84/47/47/861844747.db2.gz CTRHCMPIMGTLJL-UHFFFAOYSA-N -1 3 413.271 4.293 20 0 HIADHM CCN(C(=O)c1cc2c(cc1[O-])OCO2)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000436549779 861846700 /nfs/dbraw/zinc/84/67/00/861846700.db2.gz WZMJJUHFYOPHGA-NRFANRHFSA-N -1 3 412.392 4.046 20 0 HIADHM COc1ccc(F)c(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436555029 861849474 /nfs/dbraw/zinc/84/94/74/861849474.db2.gz HZSJWRGCVBIEKW-FQEVSTJZSA-N -1 3 408.429 4.040 20 0 HIADHM C[C@H](c1cccnc1)N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436557031 861850941 /nfs/dbraw/zinc/85/09/41/861850941.db2.gz UUNGTSLNBJNAOB-HXUWFJFHSA-N -1 3 415.537 4.091 20 0 HIADHM COc1ccc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c([O-])c1 ZINC000436559275 861851628 /nfs/dbraw/zinc/85/16/28/861851628.db2.gz UHFJCEKLSSSHQO-KRWDZBQOSA-N -1 3 400.233 4.060 20 0 HIADHM O=C([N-]NC(=O)c1ccc(OCc2cccnc2)cc1)c1ccc(Cl)cc1Cl ZINC000032083725 847986122 /nfs/dbraw/zinc/98/61/22/847986122.db2.gz LPEBUHWCJAIYRA-UHFFFAOYSA-N -1 3 416.264 4.042 20 0 HIADHM Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(C(C)C)cc2[O-])c1C ZINC000436571810 861855790 /nfs/dbraw/zinc/85/57/90/861855790.db2.gz CMZSEIKEHQZAED-FQEVSTJZSA-N -1 3 424.541 4.392 20 0 HIADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)c([O-])c1 ZINC000436581174 861858650 /nfs/dbraw/zinc/85/86/50/861858650.db2.gz ACFDIHKMARYSTH-UHFFFAOYSA-N -1 3 414.552 4.390 20 0 HIADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)cc1 ZINC000032631523 848056824 /nfs/dbraw/zinc/05/68/24/848056824.db2.gz XQZNAUJQHLGFKU-HSZRJFAPSA-N -1 3 422.506 4.168 20 0 HIADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000436587750 861860384 /nfs/dbraw/zinc/86/03/84/861860384.db2.gz QSAVLKSPXCNQEM-UHFFFAOYSA-N -1 3 424.280 4.249 20 0 HIADHM Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436598939 861864151 /nfs/dbraw/zinc/86/41/51/861864151.db2.gz VUZKHZAEAAAALV-NRFANRHFSA-N -1 3 403.526 4.006 20 0 HIADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c([O-])c1 ZINC000436617220 861871626 /nfs/dbraw/zinc/87/16/26/861871626.db2.gz MPJCRNVVJRANSX-UHFFFAOYSA-N -1 3 420.431 4.133 20 0 HIADHM CCCCN(CC)c1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436618537 861871554 /nfs/dbraw/zinc/87/15/54/861871554.db2.gz RZVJWBAOSZDIET-UHFFFAOYSA-N -1 3 423.557 4.053 20 0 HIADHM CCSc1cc(Cl)ccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436615254 861870955 /nfs/dbraw/zinc/87/09/55/861870955.db2.gz DPGMXRUPYSPLRT-UHFFFAOYSA-N -1 3 418.946 4.192 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(c2ncccc2Cl)CC1 ZINC000436616380 861871027 /nfs/dbraw/zinc/87/10/27/861871027.db2.gz JKTQRBCAGPASOL-UHFFFAOYSA-N -1 3 421.928 4.188 20 0 HIADHM O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436619757 861872900 /nfs/dbraw/zinc/87/29/00/861872900.db2.gz XUUKGMPWVFLKDW-IBGZPJMESA-N -1 3 417.465 4.168 20 0 HIADHM O=C(Nc1cccc(Nc2ccccc2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436629200 861874959 /nfs/dbraw/zinc/87/49/59/861874959.db2.gz IRDATVYEGJGQJP-NRFANRHFSA-N -1 3 401.466 4.379 20 0 HIADHM O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000436632427 861876199 /nfs/dbraw/zinc/87/61/99/861876199.db2.gz ZELWDGHLHVMLIL-MRXNPFEDSA-N -1 3 409.269 4.038 20 0 HIADHM Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436640961 861879565 /nfs/dbraw/zinc/87/95/65/861879565.db2.gz KNYAMUOFYZPING-UHFFFAOYSA-N -1 3 423.900 4.497 20 0 HIADHM O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(C(=O)c1c([O-])cccc1O)C2 ZINC000436647818 861881248 /nfs/dbraw/zinc/88/12/48/861881248.db2.gz LOWOHFXQCCGUPI-UHFFFAOYSA-N -1 3 421.428 4.079 20 0 HIADHM CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436655988 861882711 /nfs/dbraw/zinc/88/27/11/861882711.db2.gz FIVITHAQNIFQEP-UHFFFAOYSA-N -1 3 424.522 4.333 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc2c(cn1)CCCC2 ZINC000436653269 861883284 /nfs/dbraw/zinc/88/32/84/861883284.db2.gz AWDNGRRWNHQBPE-JOCHJYFZSA-N -1 3 415.493 4.166 20 0 HIADHM COc1cccc(CNC(=O)[C@H](C)Sc2nnc([N-]c3ccccc3F)s2)c1 ZINC000042149120 848293429 /nfs/dbraw/zinc/29/34/29/848293429.db2.gz IJDFNVROZUAQDK-LBPRGKRZSA-N -1 3 418.519 4.226 20 0 HIADHM COCCC[C@H](c1noc(-c2cc3c(cc2[O-])OCO3)n1)c1ccc(Cl)cc1 ZINC000436688081 861893983 /nfs/dbraw/zinc/89/39/83/861893983.db2.gz NINSFFBTMJLOLB-AWEZNQCLSA-N -1 3 402.834 4.383 20 0 HIADHM COc1cc(-c2nc([C@@H](C)c3ccc(Br)cc3)no2)cc(OC)c1[O-] ZINC000436687211 861894348 /nfs/dbraw/zinc/89/43/48/861894348.db2.gz HTPSGANAAHTZHP-JTQLQIEISA-N -1 3 405.248 4.374 20 0 HIADHM C[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1cccc2ccccc21 ZINC000043237778 848397812 /nfs/dbraw/zinc/39/78/12/848397812.db2.gz BPANXAYZJVXOBO-CYBMUJFWSA-N -1 3 412.287 4.308 20 0 HIADHM O=C(NCCc1csc(N2CCCC2)n1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436708219 861898806 /nfs/dbraw/zinc/89/88/06/861898806.db2.gz QZGXWMZYWFWZHW-UHFFFAOYSA-N -1 3 407.539 4.012 20 0 HIADHM C[C@@H](CCc1ccco1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000043725334 848454281 /nfs/dbraw/zinc/45/42/81/848454281.db2.gz YZTUGJNQSVGGLI-AWEZNQCLSA-N -1 3 419.909 4.020 20 0 HIADHM C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]2CCCC[C@H]12 ZINC000436734758 861919170 /nfs/dbraw/zinc/91/91/70/861919170.db2.gz CIWZMOGKGYLLFS-DZWOVHDNSA-N -1 3 406.526 4.291 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COC3CCCCC3)cc2)cc1 ZINC000044818051 848607439 /nfs/dbraw/zinc/60/74/39/848607439.db2.gz ZFOMSSWNKXVMFS-UHFFFAOYSA-N -1 3 402.516 4.084 20 0 HIADHM CC(=O)Nc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)nc1 ZINC000436738398 861921903 /nfs/dbraw/zinc/92/19/03/861921903.db2.gz LMILBEYUSFTDHN-UHFFFAOYSA-N -1 3 404.451 4.275 20 0 HIADHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044973195 848617815 /nfs/dbraw/zinc/61/78/15/848617815.db2.gz LUGGKZHGUBHNJO-IRXDYDNUSA-N -1 3 416.930 4.004 20 0 HIADHM CC(C)c1ccccc1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000045670907 848710220 /nfs/dbraw/zinc/71/02/20/848710220.db2.gz FTYLCIXMZWNGTI-UHFFFAOYSA-N -1 3 415.342 4.424 20 0 HIADHM C[C@@H](Oc1ccccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436750098 861935048 /nfs/dbraw/zinc/93/50/48/861935048.db2.gz MORZDTJYLCKMHJ-QGZVFWFLSA-N -1 3 419.481 4.084 20 0 HIADHM CCN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436751016 861935770 /nfs/dbraw/zinc/93/57/70/861935770.db2.gz ZCIUWTBDDJHLFA-JOCHJYFZSA-N -1 3 402.494 4.199 20 0 HIADHM CC(C)COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1Cl ZINC000436761880 861950809 /nfs/dbraw/zinc/95/08/09/861950809.db2.gz ATDUUQOWXSAYDT-SFHVURJKSA-N -1 3 416.905 4.324 20 0 HIADHM 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C[C@@H](C(=O)[O-])[C@@H](NCc1cc(Br)c2c(c1)OCCCO2)c1ccccc1 ZINC000426748926 856452539 /nfs/dbraw/zinc/45/25/39/856452539.db2.gz BENIHXCYCQRDKX-FZKQIMNGSA-N -1 3 420.303 4.162 20 0 HIADHM O=C([O-])C[C@@H](NCc1ccc(-n2cncn2)cc1)c1cccc(Oc2ccccc2)c1 ZINC000426766828 856466442 /nfs/dbraw/zinc/46/64/42/856466442.db2.gz HJOSODIOJWKSSK-HSZRJFAPSA-N -1 3 414.465 4.365 20 0 HIADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1OCC ZINC000426794435 856482397 /nfs/dbraw/zinc/48/23/97/856482397.db2.gz RLAQOSAAQVNKDR-GOSISDBHSA-N -1 3 408.292 4.162 20 0 HIADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC(F)F)c(Cl)c2)cc1OC ZINC000426800567 856485800 /nfs/dbraw/zinc/48/58/00/856485800.db2.gz NYQYSAMREPZDLI-AWEZNQCLSA-N -1 3 415.820 4.264 20 0 HIADHM O=C([O-])[C@@H](NCc1ccc(Br)s1)c1ccc(Br)cc1 ZINC000426825404 856499736 /nfs/dbraw/zinc/49/97/36/856499736.db2.gz QMFCUWCTSCOJOO-LBPRGKRZSA-N -1 3 405.111 4.189 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cccnc1SCC1CCCCC1 ZINC000427069256 856619182 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O=C(NC/C=C/c1ccccc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430548248 858215067 /nfs/dbraw/zinc/21/50/67/858215067.db2.gz GNVBXWGBHCJUDY-QPJJXVBHSA-N -1 3 417.690 4.387 20 0 HIADHM O=C(Nc1nc2c(s1)COCC2)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430551408 858215406 /nfs/dbraw/zinc/21/54/06/858215406.db2.gz PQAAHZVHVRNCSM-UHFFFAOYSA-N -1 3 419.462 4.102 20 0 HIADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C[C@@H]1C ZINC000430564837 858220362 /nfs/dbraw/zinc/22/03/62/858220362.db2.gz CSYHTJZGEOFSSL-SCVCMEIPSA-N -1 3 411.727 4.499 20 0 HIADHM O=C(Nc1cccc2c1OCCO2)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430580697 858226209 /nfs/dbraw/zinc/22/62/09/858226209.db2.gz FJTHBEWOSBEJDD-UHFFFAOYSA-N -1 3 414.417 4.344 20 0 HIADHM O=C(NCCCC(F)(F)F)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430589169 858228751 /nfs/dbraw/zinc/22/87/51/858228751.db2.gz COZWROWVZSXODP-UHFFFAOYSA-N -1 3 411.605 4.016 20 0 HIADHM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430617183 858237423 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411.672 4.297 20 0 HIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000432054035 858953370 /nfs/dbraw/zinc/95/33/70/858953370.db2.gz SERPFEJCOKTNEQ-UHFFFAOYSA-N -1 3 406.660 4.245 20 0 HIADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(CC)no3)ccc2C)cc1 ZINC000432176419 859031793 /nfs/dbraw/zinc/03/17/93/859031793.db2.gz JAFNCMAHPOOWQB-UHFFFAOYSA-N -1 3 401.488 4.197 20 0 HIADHM CC(C)(C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1csc(-c2c(F)cccc2F)n1 ZINC000432410594 859150905 /nfs/dbraw/zinc/15/09/05/859150905.db2.gz QCSWAXIUKKFGAC-UHFFFAOYSA-N -1 3 417.363 4.142 20 0 HIADHM CC(C)(C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1csc(-c2c(F)cccc2F)n1 ZINC000432410594 859150909 /nfs/dbraw/zinc/15/09/09/859150909.db2.gz QCSWAXIUKKFGAC-UHFFFAOYSA-N -1 3 417.363 4.142 20 0 HIADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432616163 859256934 /nfs/dbraw/zinc/25/69/34/859256934.db2.gz JNNUBNSBYBEVAG-QGZVFWFLSA-N -1 3 418.526 4.227 20 0 HIADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1C 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COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(OC)c3)c2C)cc1 ZINC000535137079 932956595 /nfs/dbraw/zinc/95/65/95/932956595.db2.gz GSHGDGVDUCGALO-UHFFFAOYSA-N -1 3 413.495 4.392 20 0 HIADHM Cc1nc(C)c(CCC(=O)NCc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)c(=O)[n-]1 ZINC000535317853 933068968 /nfs/dbraw/zinc/06/89/68/933068968.db2.gz LUHZKBWZYKMUEX-OAHLLOKOSA-N -1 3 417.509 4.038 20 0 HIADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000535616352 933270210 /nfs/dbraw/zinc/27/02/10/933270210.db2.gz HZQKAXRVEJTARL-UHFFFAOYSA-N -1 3 410.211 4.457 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3Cn3c(C)nc4ccccc43)nc2)n1 ZINC000535888392 933469456 /nfs/dbraw/zinc/46/94/56/933469456.db2.gz PCCSJOBKOXTZTL-IBGZPJMESA-N -1 3 414.513 4.134 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc([S@](C)=O)cc2)c1Cl ZINC000535900704 933478701 /nfs/dbraw/zinc/47/87/01/933478701.db2.gz PWULNKAQLZSUIZ-BGJPBQGDSA-N -1 3 406.356 4.079 20 0 HIADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccc(F)c(Cl)c3)n2)cc1 ZINC000535904947 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CN(Cc1ccc(F)cc1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000538833859 938722336 /nfs/dbraw/zinc/72/23/36/938722336.db2.gz BALYUKUKIDVTBP-UHFFFAOYSA-N -1 3 423.669 4.355 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000538847621 938724534 /nfs/dbraw/zinc/72/45/34/938724534.db2.gz XNSDGUHMXXSXJP-UHFFFAOYSA-N -1 3 422.934 4.072 20 0 HIADHM C[C@@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(F)cn1 ZINC000538868325 938728488 /nfs/dbraw/zinc/72/84/88/938728488.db2.gz PDLAGDNWQGKSIA-CQSZACIVSA-N -1 3 403.454 4.011 20 0 HIADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000539106481 938803948 /nfs/dbraw/zinc/80/39/48/938803948.db2.gz XGCYOFLSULKFJI-UHFFFAOYSA-N -1 3 417.387 4.001 20 0 HIADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1c(Cl)cccc1Cl ZINC000539384595 938852343 /nfs/dbraw/zinc/85/23/43/938852343.db2.gz IVPCQVITXQLHTF-LSDHHAIUSA-N -1 3 408.253 4.080 20 0 HIADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1c(Cl)cccc1Cl ZINC000539384593 938852447 /nfs/dbraw/zinc/85/24/47/938852447.db2.gz IVPCQVITXQLHTF-HUUCEWRRSA-N -1 3 408.253 4.080 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCOc3cc(F)ccc32)s1 ZINC000539636741 938891657 /nfs/dbraw/zinc/89/16/57/938891657.db2.gz KIHHITACSSKRFW-CYBMUJFWSA-N -1 3 420.325 4.150 20 0 HIADHM C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])c2ccccc2N(C)C1=O ZINC000539865145 938961230 /nfs/dbraw/zinc/96/12/30/938961230.db2.gz SMGJXYPQUNYJNM-INIZCTEOSA-N -1 3 402.450 4.444 20 0 HIADHM CCc1ccnc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000540476212 939267255 /nfs/dbraw/zinc/26/72/55/939267255.db2.gz ZSCVYHVOLOIXDV-UHFFFAOYSA-N -1 3 413.474 4.145 20 0 HIADHM O=S(=O)([N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c[nH]c2ncccc12 ZINC000540483628 939269875 /nfs/dbraw/zinc/26/98/75/939269875.db2.gz LWGSHVDIPDHREL-ZDUSSCGKSA-N -1 3 423.338 4.164 20 0 HIADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl ZINC000540484489 939270774 /nfs/dbraw/zinc/27/07/74/939270774.db2.gz 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CC(C)(C)n1cnc([N-]C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)n1 ZINC000542246440 939771665 /nfs/dbraw/zinc/77/16/65/939771665.db2.gz FRIIHHUAWHTMOY-UHFFFAOYSA-N -1 3 407.261 4.175 20 0 HIADHM Cc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])c(CN(C)C)c1 ZINC000542504387 939834093 /nfs/dbraw/zinc/83/40/93/939834093.db2.gz UDMBESMISHYLLA-UHFFFAOYSA-N -1 3 418.419 4.219 20 0 HIADHM CCC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000542683026 939853944 /nfs/dbraw/zinc/85/39/44/939853944.db2.gz IFTMRXHHPZPKBU-QGZVFWFLSA-N -1 3 404.507 4.421 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccc(Br)s2)c1 ZINC000543346984 940037087 /nfs/dbraw/zinc/03/70/87/940037087.db2.gz KLORMRMXIKQEAE-ZDUSSCGKSA-N -1 3 409.305 4.152 20 0 HIADHM Cc1ncc(CNC(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)c(=O)[n-]1 ZINC000543376447 940046347 /nfs/dbraw/zinc/04/63/47/940046347.db2.gz JQDFNYIMNLBDSK-SFHVURJKSA-N -1 3 417.296 4.386 20 0 HIADHM Cc1cc(-c2noc([C@@H](C)NCc3nc4c5ccccc5oc4c(=O)[n-]3)n2)ccc1F ZINC000543552130 940106172 /nfs/dbraw/zinc/10/61/72/940106172.db2.gz SJJVFXMUPHIPJE-GFCCVEGCSA-N -1 3 419.416 4.430 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)c1Cl ZINC000543623246 940137850 /nfs/dbraw/zinc/13/78/50/940137850.db2.gz BAYZOYDNMTZXPT-GFCCVEGCSA-N -1 3 412.697 4.106 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCc2ccc(F)cc21 ZINC000543738776 940172979 /nfs/dbraw/zinc/17/29/79/940172979.db2.gz BVJTWKAVQNNGRJ-GOTSBHOMSA-N -1 3 418.468 4.196 20 0 HIADHM O=C(Nc1ncccc1[O-])c1cccnc1SCc1ccc(Br)cc1 ZINC000544025806 940303427 /nfs/dbraw/zinc/30/34/27/940303427.db2.gz WAROGKBNZFLVOQ-UHFFFAOYSA-N -1 3 416.300 4.489 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(C4CC4)no3)cc2C)c(C)c1 ZINC000544093339 940324367 /nfs/dbraw/zinc/32/43/67/940324367.db2.gz GPQCEWNWIPAORA-UHFFFAOYSA-N -1 3 413.499 4.349 20 0 HIADHM O=S(=O)([N-][C@H](c1cccc(F)c1F)C(F)(F)F)c1ccccc1-c1ccno1 ZINC000544100752 940326692 /nfs/dbraw/zinc/32/66/92/940326692.db2.gz IBJWJYLWKUKGIF-MRXNPFEDSA-N -1 3 418.343 4.202 20 0 HIADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc4cc[nH]c4c3)no2)ccc1F ZINC000544150181 940338191 /nfs/dbraw/zinc/33/81/91/940338191.db2.gz WLTAXGDFHYYCOS-UHFFFAOYSA-N -1 3 414.462 4.101 20 0 HIADHM CSc1c(F)cc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1F ZINC000544240558 940365161 /nfs/dbraw/zinc/36/51/61/940365161.db2.gz AJLVJQJAUHMXOU-UHFFFAOYSA-N -1 3 416.453 4.124 20 0 HIADHM Cc1cc(Br)c2ccccc2c1NC(=O)NCc1cnc(C)[n-]c1=O ZINC000544282613 940378874 /nfs/dbraw/zinc/37/88/74/940378874.db2.gz QLQOLYWUYAFKDR-UHFFFAOYSA-N -1 3 401.264 4.036 20 0 HIADHM Cc1cc(C(F)(F)F)nc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000544397058 940411536 /nfs/dbraw/zinc/41/15/36/940411536.db2.gz XQEROWCOHVQYDM-UHFFFAOYSA-N -1 3 414.815 4.018 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@H](CC)c3nc(C)cs3)nc(=O)c2c1C ZINC000544448970 940435121 /nfs/dbraw/zinc/43/51/21/940435121.db2.gz BJHQPAGDPMPBHJ-NWDGAFQWSA-N -1 3 420.560 4.037 20 0 HIADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(Cl)ccc1Cl ZINC000544671585 940500804 /nfs/dbraw/zinc/50/08/04/940500804.db2.gz QXOOEIVSCAROOP-GDBMZVCRSA-N -1 3 404.290 4.331 20 0 HIADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1csc(-c2ccccc2)n1 ZINC000544674539 940501226 /nfs/dbraw/zinc/50/12/26/940501226.db2.gz UKKUFUHKISBGEH-QZTJIDSGSA-N -1 3 418.515 4.148 20 0 HIADHM COc1ccc(-c2nc3cc(Br)ccc3n2C)c(Br)c1[O-] ZINC000544880059 940521300 /nfs/dbraw/zinc/52/13/00/940521300.db2.gz IQSRHBHXTBUJKR-UHFFFAOYSA-N -1 3 412.081 4.480 20 0 HIADHM Cc1cc(C(C)(C)C)cc(C)c1Cc1noc(-c2cncc([N-]S(C)(=O)=O)c2)n1 ZINC000544937774 940526565 /nfs/dbraw/zinc/52/65/65/940526565.db2.gz VVEBXANHPUZVAC-UHFFFAOYSA-N -1 3 414.531 4.008 20 0 HIADHM CC(C)Oc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000545052085 940537259 /nfs/dbraw/zinc/53/72/59/940537259.db2.gz VOTSBBOBFLQSDL-ZDUSSCGKSA-N -1 3 421.906 4.217 20 0 HIADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000545469818 940571222 /nfs/dbraw/zinc/57/12/22/940571222.db2.gz WPINSTTZMQCBDA-SSDOTTSWSA-N -1 3 424.666 4.120 20 0 HIADHM Cc1csc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)n2)n1 ZINC000545792884 940597344 /nfs/dbraw/zinc/59/73/44/940597344.db2.gz AZDHOYTYKUDOGW-UHFFFAOYSA-N -1 3 416.459 4.108 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](c3ccn(C)n3)c3ccc(Cl)cc3)nc2)n1 ZINC000545871995 940645950 /nfs/dbraw/zinc/64/59/50/940645950.db2.gz ZQTRNTRQNXJZPU-NRFANRHFSA-N -1 3 420.904 4.395 20 0 HIADHM COc1cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc(Cl)c1[O-] ZINC000545886419 940652649 /nfs/dbraw/zinc/65/26/49/940652649.db2.gz MSMRKPVMHJNMIP-MRXNPFEDSA-N -1 3 408.951 4.319 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cncc4ccccc43)cs2)c1 ZINC000546213409 940731164 /nfs/dbraw/zinc/73/11/64/940731164.db2.gz QPYAFVXFRYOIMU-UHFFFAOYSA-N -1 3 418.478 4.139 20 0 HIADHM Cc1nc(-c2cccc(-c3noc(-c4ccc([N-]S(C)(=O)=O)cc4)n3)c2)cs1 ZINC000546396585 940809899 /nfs/dbraw/zinc/80/98/99/940809899.db2.gz RBSBPPFVMGQXQJ-UHFFFAOYSA-N -1 3 412.496 4.207 20 0 HIADHM CCc1cnccc1-c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000546453181 940823773 /nfs/dbraw/zinc/82/37/73/940823773.db2.gz VDNBSNVKUIOHAE-UHFFFAOYSA-N -1 3 424.457 4.301 20 0 HIADHM CSCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000547056698 940977528 /nfs/dbraw/zinc/97/75/28/940977528.db2.gz MJWDRRROOIEFBD-LBPRGKRZSA-N -1 3 423.947 4.293 20 0 HIADHM Cc1ccc([C@H](C)c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000547089064 940991304 /nfs/dbraw/zinc/99/13/04/940991304.db2.gz JJTKTJZNJXWCHW-UONOGXRCSA-N -1 3 405.907 4.223 20 0 HIADHM CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@@H](C)Cc1ccsc1 ZINC000547664340 941071587 /nfs/dbraw/zinc/07/15/87/941071587.db2.gz JCYWSFWFQGGZJE-LBPRGKRZSA-N -1 3 419.344 4.445 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cc3nc(C(C)C)no3)cc2)cc1C ZINC000549548829 941199024 /nfs/dbraw/zinc/19/90/24/941199024.db2.gz HSPZCKHIHZJXGB-UHFFFAOYSA-N -1 3 415.515 4.210 20 0 HIADHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)cc2)n1 ZINC000551096678 941409032 /nfs/dbraw/zinc/40/90/32/941409032.db2.gz BJZAZWXEWNKKLF-UHFFFAOYSA-N -1 3 413.833 4.236 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\c3nc(-c4ccco4)no3)cc2)cc1 ZINC000551410623 941472558 /nfs/dbraw/zinc/47/25/58/941472558.db2.gz ZDYSNKXIRNZLCS-MLPAPPSSSA-N -1 3 423.450 4.309 20 0 HIADHM CC(C)CCO[C@@H](C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551435845 941478563 /nfs/dbraw/zinc/47/85/63/941478563.db2.gz UAKINDRAISYOAG-NSHDSACASA-N -1 3 406.284 4.408 20 0 HIADHM CC[C@H]1CCCC[C@@H]1c1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000551534520 941496960 /nfs/dbraw/zinc/49/69/60/941496960.db2.gz NIZMBKZWXXTLJK-YJBOKZPZSA-N -1 3 407.536 4.483 20 0 HIADHM CC(C)c1nc([C@@H](C)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cs1 ZINC000552088153 941582817 /nfs/dbraw/zinc/58/28/17/941582817.db2.gz BBEJDUABFAGVIS-LLVKDONJSA-N -1 3 422.403 4.202 20 0 HIADHM CC(=O)c1cccc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c1[O-] ZINC000552286719 941622447 /nfs/dbraw/zinc/62/24/47/941622447.db2.gz XJSVPSDIRKMQDP-HOTGVXAUSA-N -1 3 424.497 4.015 20 0 HIADHM CC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2I)c1[O-] ZINC000552287428 941622484 /nfs/dbraw/zinc/62/24/84/941622484.db2.gz RDNBXABIMLPPDU-UHFFFAOYSA-N -1 3 415.614 4.105 20 0 HIADHM Cc1cc(N2C[C@H](C(=O)Nc3c([O-])cccc3Cl)CC2=O)ccc1Br ZINC000552435761 941671032 /nfs/dbraw/zinc/67/10/32/941671032.db2.gz YPXIKLZSPOYMQF-LLVKDONJSA-N -1 3 423.694 4.108 20 0 HIADHM Cc1nc(-c2cc3c(s2)CCN(C(=O)NCc2ccc([O-])c(F)c2)C3)cs1 ZINC000552490083 941687151 /nfs/dbraw/zinc/68/71/51/941687151.db2.gz JDRHOXSIQKFNJZ-UHFFFAOYSA-N -1 3 403.504 4.293 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCC(C)C)cc1Cl ZINC000552531646 941699344 /nfs/dbraw/zinc/69/93/44/941699344.db2.gz MAAVYIVSUISXHO-XJKSGUPXSA-N -1 3 404.935 4.321 20 0 HIADHM Cc1ccc(NC(=O)c2ncccc2Cl)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000552918771 941802612 /nfs/dbraw/zinc/80/26/12/941802612.db2.gz HZSZHSNJECMTQF-UHFFFAOYSA-N -1 3 419.865 4.236 20 0 HIADHM C[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553520410 941901240 /nfs/dbraw/zinc/90/12/40/941901240.db2.gz JCAKPCOQEYRYOF-JTQLQIEISA-N -1 3 412.355 4.029 20 0 HIADHM Cc1nc([C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c2ccc(Cl)cc2)no1 ZINC000553535999 941904538 /nfs/dbraw/zinc/90/45/38/941904538.db2.gz CPORSTJALBKPFL-HNNXBMFYSA-N -1 3 413.833 4.037 20 0 HIADHM O=c1[n-]c(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)nc2c3ccccc3oc21 ZINC000553940848 942003916 /nfs/dbraw/zinc/00/39/16/942003916.db2.gz OLQAMULWPRIHOY-LSDHHAIUSA-N -1 3 407.495 4.082 20 0 HIADHM O=C(NC1(c2ccc(Cl)cc2)CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000554489830 942158841 /nfs/dbraw/zinc/15/88/41/942158841.db2.gz PLJBDLHKNDPAPN-UHFFFAOYSA-N -1 3 417.690 4.363 20 0 HIADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c(C)c1C ZINC000554687043 942198956 /nfs/dbraw/zinc/19/89/56/942198956.db2.gz BOWXRQDDNSCFFH-UHFFFAOYSA-N -1 3 402.285 4.323 20 0 HIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000555695508 942703156 /nfs/dbraw/zinc/70/31/56/942703156.db2.gz JFZOGTADYQMHRH-ZDUSSCGKSA-N -1 3 401.825 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944090368 /nfs/dbraw/zinc/09/03/68/944090368.db2.gz HFDXLBIPKCSKIL-UHFFFAOYSA-N -1 3 406.417 4.055 20 0 HIADHM CCc1ccc([C@H](NCc2cnn(-c3ccc(Br)cc3)c2)C(=O)[O-])cc1 ZINC000559980124 944107963 /nfs/dbraw/zinc/10/79/63/944107963.db2.gz CEVAMXXQNNARDV-IBGZPJMESA-N -1 3 414.303 4.113 20 0 HIADHM COc1ccc2c(c1)CCC[C@@]2(NCc1ccc(-c2ccncc2)cc1F)C(=O)[O-] ZINC000559981006 944109311 /nfs/dbraw/zinc/10/93/11/944109311.db2.gz DZBNHQJYZVJQKB-DEOSSOPVSA-N -1 3 406.457 4.302 20 0 HIADHM CCC[C@@H]1C[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCO1 ZINC000559986224 944112113 /nfs/dbraw/zinc/11/21/13/944112113.db2.gz ALTRACYOHYXLAP-GXTWGEPZSA-N -1 3 418.295 4.347 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)CC1 ZINC000560591020 944265467 /nfs/dbraw/zinc/26/54/67/944265467.db2.gz GKTYOYPGMHBGSM-OLZOCXBDSA-N -1 3 418.843 4.201 20 0 HIADHM Cc1n[nH]c2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4F)c3)ccc12 ZINC000560653964 944285268 /nfs/dbraw/zinc/28/52/68/944285268.db2.gz 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HIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccccc3Br)nc(=O)c2c1C ZINC000004830222 845067741 /nfs/dbraw/zinc/06/77/41/845067741.db2.gz SJTZLFSOIZISQC-VIFPVBQESA-N -1 3 407.289 4.282 20 0 HIADHM COc1ccccc1[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCC1 ZINC000005292760 845098843 /nfs/dbraw/zinc/09/88/43/845098843.db2.gz XDOATVWWVGHOJB-FNLSEGDXSA-N -1 3 403.866 4.218 20 0 HIADHM CCCOc1ccc(C(=O)NN=Cc2cc(Cl)c([O-])c(OCC)c2)cc1OC ZINC000006324426 845189833 /nfs/dbraw/zinc/18/98/33/845189833.db2.gz FRESEFREKZQXCS-UHFFFAOYSA-N -1 3 406.866 4.006 20 0 HIADHM Cc1ccc(C)c(NC(=S)N[N-]C(=O)c2cc(Br)ccc2Cl)c1 ZINC000006965378 845226558 /nfs/dbraw/zinc/22/65/58/845226558.db2.gz IAIRACOLWASBKF-UHFFFAOYSA-N -1 3 412.740 4.351 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SCc3cccc(OC)c3)nc(=O)c2c1C ZINC000007050063 845241685 /nfs/dbraw/zinc/24/16/85/845241685.db2.gz SJSBSRWVXKLJTP-GFCCVEGCSA-N -1 3 418.540 4.473 20 0 HIADHM C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000010077372 845617498 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HIADHM C=CCNC(=S)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000016216804 846138325 /nfs/dbraw/zinc/13/83/25/846138325.db2.gz LSLWWYBRZLNNIK-UHFFFAOYSA-N -1 3 416.355 4.267 20 0 HIADHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN3CCCCC3)nc(=O)c12 ZINC000016442158 846171863 /nfs/dbraw/zinc/17/18/63/846171863.db2.gz CYEHCDFSHOUGMO-UHFFFAOYSA-N -1 3 410.543 4.148 20 0 HIADHM CC(=O)NCc1ccc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000021200104 846415902 /nfs/dbraw/zinc/41/59/02/846415902.db2.gz UDHYDPJQTRTURB-UHFFFAOYSA-N -1 3 416.503 4.032 20 0 HIADHM COc1ccccc1[C@@H](C)NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000021200158 846416106 /nfs/dbraw/zinc/41/61/06/846416106.db2.gz OVHUOGMXSIIPMN-GFCCVEGCSA-N -1 3 418.519 4.399 20 0 HIADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000021730198 846487593 /nfs/dbraw/zinc/48/75/93/846487593.db2.gz LMSOAMDIKVZROJ-GFCCVEGCSA-N -1 3 410.301 4.496 20 0 HIADHM COc1ccc2cc(CN(C)C(=O)COC(=O)c3cc4ccsc4[n-]3)ccc2c1 ZINC000023346625 846687705 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HIADHM COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cc(C)ccc4[O-])cc32)c1 ZINC000436751648 861935351 /nfs/dbraw/zinc/93/53/51/861935351.db2.gz UGQBRQYQCWSLSR-UHFFFAOYSA-N -1 3 416.477 4.093 20 0 HIADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436752818 861938260 /nfs/dbraw/zinc/93/82/60/861938260.db2.gz YOSGLZXVIDMIGP-FQEVSTJZSA-N -1 3 423.469 4.173 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436759307 861947024 /nfs/dbraw/zinc/94/70/24/861947024.db2.gz WQPKSSUYNFNFTM-UHFFFAOYSA-N -1 3 416.477 4.219 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COc3ccccc3C)cc2)cc1 ZINC000046462738 848854659 /nfs/dbraw/zinc/85/46/59/848854659.db2.gz LEFMXXFNZZEARP-UHFFFAOYSA-N -1 3 410.495 4.122 20 0 HIADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436763433 861955539 /nfs/dbraw/zinc/95/55/39/861955539.db2.gz GGZYGOJDKMVUAC-REWPJTCUSA-N -1 3 405.498 4.020 20 0 HIADHM CCn1c(SCc2noc(-c3ccccc3[O-])n2)nnc1-c1ccccc1OC ZINC000436776882 861966779 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849720203 /nfs/dbraw/zinc/72/02/03/849720203.db2.gz VEDAGLQSBGAYER-UHFFFAOYSA-N -1 3 409.489 4.021 20 0 HIADHM Cc1sc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1-c1ccc(F)cc1 ZINC000436872371 862050552 /nfs/dbraw/zinc/05/05/52/862050552.db2.gz KMUDAKXNDUTHCP-UHFFFAOYSA-N -1 3 424.497 4.166 20 0 HIADHM Cc1ccc(C(=O)C2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)cc1 ZINC000054296857 849842442 /nfs/dbraw/zinc/84/24/42/849842442.db2.gz KOWQXMFETBDRJB-UHFFFAOYSA-N -1 3 401.466 4.485 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000054984477 849953028 /nfs/dbraw/zinc/95/30/28/849953028.db2.gz ZJQHMSGNSLCCDN-UHFFFAOYSA-N -1 3 417.915 4.058 20 0 HIADHM C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(F)c(F)c1 ZINC000436906279 862082451 /nfs/dbraw/zinc/08/24/51/862082451.db2.gz VPEMQLSEIWKKNW-IVZQSRNASA-N -1 3 424.447 4.409 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@H]1c1ccccc1 ZINC000436907456 862083978 /nfs/dbraw/zinc/08/39/78/862083978.db2.gz GGXLLQHFSVSVHK-PKTZIBPZSA-N -1 3 400.478 4.227 20 0 HIADHM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1F ZINC000055592716 850067842 /nfs/dbraw/zinc/06/78/42/850067842.db2.gz CELWSYLPNZHOIC-UHFFFAOYSA-N -1 3 414.458 4.269 20 0 HIADHM CN(CCc1ccc(F)cc1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436909482 862087563 /nfs/dbraw/zinc/08/75/63/862087563.db2.gz YXCQETMKTBYZIT-QHCPKHFHSA-N -1 3 420.484 4.094 20 0 HIADHM CC(=O)c1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436909383 862087747 /nfs/dbraw/zinc/08/77/47/862087747.db2.gz AHSBQJHQFQOCAC-QFIPXVFZSA-N -1 3 402.450 4.095 20 0 HIADHM CC(C)c1csc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436911693 862089837 /nfs/dbraw/zinc/08/98/37/862089837.db2.gz FUGWYBYXLKFMCQ-SFHVURJKSA-N -1 3 409.511 4.472 20 0 HIADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000055652190 850098026 /nfs/dbraw/zinc/09/80/26/850098026.db2.gz AJIBSBDSLRFHIR-UHFFFAOYSA-N -1 3 416.421 4.084 20 0 HIADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ncc(Br)cn1 ZINC000436918761 862100202 /nfs/dbraw/zinc/10/02/02/862100202.db2.gz IVMFOUHTPWIKIU-LBPRGKRZSA-N -1 3 414.259 4.228 20 0 HIADHM Cc1cn2ccnc(C(=O)Nc3ccc([O-])c(-c4nc5ccccc5s4)c3)c2n1 ZINC000436925544 862105072 /nfs/dbraw/zinc/10/50/72/862105072.db2.gz GVEKAUYRBDTLQS-UHFFFAOYSA-N -1 3 401.451 4.272 20 0 HIADHM CCOc1cc(Cc2noc(-c3cccc(OC)c3[O-])n2)ccc1OCC(F)(F)F ZINC000436921843 862102365 /nfs/dbraw/zinc/10/23/65/862102365.db2.gz VMWXGMHILWIOMN-UHFFFAOYSA-N -1 3 424.375 4.381 20 0 HIADHM CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1 ZINC000055995383 850227201 /nfs/dbraw/zinc/22/72/01/850227201.db2.gz BZUOWYNWTOLQRA-UHFFFAOYSA-N -1 3 416.521 4.462 20 0 HIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(-c2cccc(-n3cncn3)c2)no1 ZINC000436934039 862112606 /nfs/dbraw/zinc/11/26/06/862112606.db2.gz FIMYAWKCWKYEFY-UHFFFAOYSA-N -1 3 411.421 4.269 20 0 HIADHM Cc1nc2sc3c(c2c(NC2CCN(C(=O)c4ccccc4[O-])CC2)n1)CCCC3 ZINC000436933024 862110852 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862165259 /nfs/dbraw/zinc/16/52/59/862165259.db2.gz FAUQEBPCHRZKNC-UHFFFAOYSA-N -1 3 419.481 4.263 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)c1 ZINC000436981926 862159529 /nfs/dbraw/zinc/15/95/29/862159529.db2.gz RUTSGYKDXTYIAF-QGZVFWFLSA-N -1 3 419.481 4.187 20 0 HIADHM CCC(CC)c1nnc([N-]C(=O)c2sc3nc(COC)nc(OC)c3c2C)s1 ZINC000057793482 850717856 /nfs/dbraw/zinc/71/78/56/850717856.db2.gz JLLOYTPBAYJWJC-UHFFFAOYSA-N -1 3 421.548 4.162 20 0 HIADHM CCCCOc1ccc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c([O-])c1 ZINC000436987865 862165358 /nfs/dbraw/zinc/16/53/58/862165358.db2.gz NFWYMGKLXVYBNB-AWEZNQCLSA-N -1 3 411.424 4.264 20 0 HIADHM O=C(Nc1cccc(-c2ccccc2)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436992473 862166507 /nfs/dbraw/zinc/16/65/07/862166507.db2.gz ZDXLGGCHQLVUCW-UHFFFAOYSA-N -1 3 415.493 4.486 20 0 HIADHM CCOc1ccc2cc(C(=O)Nc3cccc(-c4nc(CC)cc(=O)[n-]4)c3)[nH]c2c1 ZINC000058381414 850813478 /nfs/dbraw/zinc/81/34/78/850813478.db2.gz 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CCn1nc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)cc1C1CC1 ZINC000430588243 858228507 /nfs/dbraw/zinc/22/85/07/858228507.db2.gz CKVSKNFQORYPPU-UHFFFAOYSA-N -1 3 414.465 4.667 20 0 HIADHM CCOC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000437670725 863013472 /nfs/dbraw/zinc/01/34/72/863013472.db2.gz DOPJBDHVRDYKTB-UHFFFAOYSA-N -1 3 424.725 4.142 20 0 HIADHM O=S(=O)([N-]Cc1ccc(-c2cccnc2)cc1)c1csc(-c2ccccc2)n1 ZINC000437699547 863034230 /nfs/dbraw/zinc/03/42/30/863034230.db2.gz LJTAPKLAXDULPW-UHFFFAOYSA-N -1 3 407.520 4.351 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C[C@H](C)O)c2ccccc2)c1Cl ZINC000431289201 858548361 /nfs/dbraw/zinc/54/83/61/858548361.db2.gz WGVLUNGRYDMFCI-DZGCQCFKSA-N -1 3 402.343 4.135 20 0 HIADHM Cc1sc(NC(=O)c2cc(F)cc3n[n-]nc32)nc1-c1ccc(OC(F)F)cc1 ZINC000431506797 858647927 /nfs/dbraw/zinc/64/79/27/858647927.db2.gz JIRSWDWJXYMZLE-UHFFFAOYSA-N -1 3 419.388 4.383 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000431921325 858871389 /nfs/dbraw/zinc/87/13/89/858871389.db2.gz ISKQHXKLFIMZFY-UHFFFAOYSA-N -1 3 408.465 4.046 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000431921325 858871395 /nfs/dbraw/zinc/87/13/95/858871395.db2.gz ISKQHXKLFIMZFY-UHFFFAOYSA-N -1 3 408.465 4.046 20 0 HIADHM Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1Br ZINC000432082081 858976519 /nfs/dbraw/zinc/97/65/19/858976519.db2.gz ZVVMZSMCXNLKPQ-UHFFFAOYSA-N -1 3 414.708 4.341 20 0 HIADHM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CCOCC1)c1c(Cl)cccc1Cl ZINC000432303818 859094187 /nfs/dbraw/zinc/09/41/87/859094187.db2.gz SVZXLXDIKBTAMD-UHFFFAOYSA-N -1 3 418.317 4.203 20 0 HIADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1C ZINC000432627222 859261247 /nfs/dbraw/zinc/26/12/47/859261247.db2.gz QHWRALOSZMCWLJ-UHFFFAOYSA-N -1 3 403.548 4.479 20 0 HIADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1C ZINC000432641734 859267496 /nfs/dbraw/zinc/26/74/96/859267496.db2.gz JJABPJNEHLLQLI-UHFFFAOYSA-N -1 3 419.547 4.378 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1C(C)C ZINC000432771784 859353140 /nfs/dbraw/zinc/35/31/40/859353140.db2.gz ZKBKZOAOBZSMEJ-UHFFFAOYSA-N -1 3 416.543 4.050 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1C(C)C ZINC000432777071 859356175 /nfs/dbraw/zinc/35/61/75/859356175.db2.gz BSRDKUDYYIWXRR-UHFFFAOYSA-N -1 3 417.531 4.212 20 0 HIADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3c(C)cccc3C(C)C)c2)[n-]1 ZINC000432896001 859414983 /nfs/dbraw/zinc/41/49/83/859414983.db2.gz BPACGMWTUJTYPH-UHFFFAOYSA-N -1 3 421.501 4.402 20 0 HIADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3c(C)cccc3C(C)C)c2)n[n-]1 ZINC000432896001 859414991 /nfs/dbraw/zinc/41/49/91/859414991.db2.gz BPACGMWTUJTYPH-UHFFFAOYSA-N -1 3 421.501 4.402 20 0 HIADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)CCC=C2 ZINC000433356515 859658911 /nfs/dbraw/zinc/65/89/11/859658911.db2.gz SIPPPHCCHJRZNW-UHFFFAOYSA-N -1 3 410.417 4.289 20 0 HIADHM CC[C@](C)([N-]S(=O)(=O)c1cc(C)c(Br)s1)c1nc(C)cs1 ZINC000433834608 859921546 /nfs/dbraw/zinc/92/15/46/859921546.db2.gz CUXVBLKLRHNZLY-ZDUSSCGKSA-N -1 3 409.396 4.188 20 0 HIADHM CCCCS(=O)(=O)c1ccc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)cc1 ZINC000433848085 859932183 /nfs/dbraw/zinc/93/21/83/859932183.db2.gz IRZLUJPASQXSQH-UHFFFAOYSA-N -1 3 413.417 4.133 20 0 HIADHM CCc1ccc(C(C)(C)NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000434005698 860033488 /nfs/dbraw/zinc/03/34/88/860033488.db2.gz IRPZEPHZLJLSOK-UHFFFAOYSA-N -1 3 419.547 4.076 20 0 HIADHM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1cc(F)ccc1Br ZINC000434947558 860569647 /nfs/dbraw/zinc/56/96/47/860569647.db2.gz PBZMFCQVHXWSFB-QGZVFWFLSA-N -1 3 410.264 4.249 20 0 HIADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cc(F)ccc1Br ZINC000435136605 860658494 /nfs/dbraw/zinc/65/84/94/860658494.db2.gz FJJMVXMVJVNNHK-UHFFFAOYSA-N -1 3 400.603 4.321 20 0 HIADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)cccc21)c1cc(F)ccc1Br ZINC000435209558 860695820 /nfs/dbraw/zinc/69/58/20/860695820.db2.gz XHWPGNRTTZOVRH-CYBMUJFWSA-N -1 3 420.687 4.044 20 0 HIADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(O[C@@H]2CCOC2)c1 ZINC000467762827 881579465 /nfs/dbraw/zinc/57/94/65/881579465.db2.gz DIXHPMSNTDLEKX-GFCCVEGCSA-N -1 3 422.355 4.010 20 0 HIADHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1c(Cl)cc(F)cc1Cl ZINC000435433904 860798035 /nfs/dbraw/zinc/79/80/35/860798035.db2.gz VDPGMCUVLWEPAB-UHFFFAOYSA-N -1 3 417.333 4.075 20 0 HIADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cnccc1C(F)(F)F ZINC000435607128 860910617 /nfs/dbraw/zinc/91/06/17/860910617.db2.gz ZYEWGIUTGIDXRE-AULYBMBSSA-N -1 3 424.366 4.344 20 0 HIADHM COc1ccc(-c2ncc(C(=O)[N-]c3nnc(CC(C)C)s3)s2)cc1OC ZINC000435651014 860934696 /nfs/dbraw/zinc/93/46/96/860934696.db2.gz NWVNVKJCBTXBML-UHFFFAOYSA-N -1 3 404.517 4.130 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)cc2)cc(=O)[n-]1 ZINC000437758630 863079096 /nfs/dbraw/zinc/07/90/96/863079096.db2.gz ACMZAFSMMFQIOY-SPLOXXLWSA-N -1 3 422.460 4.291 20 0 HIADHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000438173196 863597317 /nfs/dbraw/zinc/59/73/17/863597317.db2.gz JSFIDMDARGFQNA-BLVKFPJESA-N -1 3 407.436 4.360 20 0 HIADHM Cc1ccc(NC(=O)CCCn2cccc2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000438569660 864002352 /nfs/dbraw/zinc/00/23/52/864002352.db2.gz UVTZLFXIRFAATL-UHFFFAOYSA-N -1 3 415.490 4.155 20 0 HIADHM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1cn2ccnc2s1 ZINC000467865232 881718240 /nfs/dbraw/zinc/71/82/40/881718240.db2.gz QGFOHOBKRMYKNE-UHFFFAOYSA-N -1 3 407.933 4.445 20 0 HIADHM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000438910492 864390924 /nfs/dbraw/zinc/39/09/24/864390924.db2.gz BIOUXZOMTFUYAU-XMMPIXPASA-N -1 3 420.513 4.353 20 0 HIADHM Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)NCc1ncccc1[O-] ZINC000467931476 881804667 /nfs/dbraw/zinc/80/46/67/881804667.db2.gz MHGSGCQSYGPTFN-UHFFFAOYSA-N -1 3 405.433 4.110 20 0 HIADHM O=C(NCc1ncccc1[O-])Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000467934882 881807314 /nfs/dbraw/zinc/80/73/14/881807314.db2.gz FUTDODOBRCCWTP-UHFFFAOYSA-N -1 3 407.364 4.485 20 0 HIADHM CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(Cc1nc3c4ccccc4oc3c(=O)[n-]1)C2 ZINC000439498830 864853790 /nfs/dbraw/zinc/85/37/90/864853790.db2.gz XVZWTSJUWFRZTN-LFVRLGFBSA-N -1 3 409.486 4.025 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C(C)(C)CC(C)C)c2)cc1 ZINC000439734440 865068063 /nfs/dbraw/zinc/06/80/63/865068063.db2.gz QFRZUVHTRQKBSM-UHFFFAOYSA-N -1 3 418.559 4.185 20 0 HIADHM C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NCc1ncccc1[O-] ZINC000468005048 881846018 /nfs/dbraw/zinc/84/60/18/881846018.db2.gz OHJLJFCAWKMKRE-LLVKDONJSA-N -1 3 406.273 4.222 20 0 HIADHM COc1cc(C(=O)N2CCC(c3ccccc3Br)CC2)cc(OC)c1[O-] ZINC000440062783 865333219 /nfs/dbraw/zinc/33/32/19/865333219.db2.gz OGCKYSBLCXLJEF-UHFFFAOYSA-N -1 3 420.303 4.192 20 0 HIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(c2ccccc2Br)CC1 ZINC000440076290 865341208 /nfs/dbraw/zinc/34/12/08/865341208.db2.gz QGVXFSCJULJZEE-UHFFFAOYSA-N -1 3 411.299 4.310 20 0 HIADHM CC[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)Oc1ccccc1C(F)(F)F ZINC000440086676 865348750 /nfs/dbraw/zinc/34/87/50/865348750.db2.gz HUKFZKRAXZXHFM-ZDUSSCGKSA-N -1 3 404.388 4.134 20 0 HIADHM CC[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)Oc1ccccc1C(F)(F)F ZINC000440086675 865349042 /nfs/dbraw/zinc/34/90/42/865349042.db2.gz HUKFZKRAXZXHFM-CYBMUJFWSA-N -1 3 404.388 4.134 20 0 HIADHM COc1cccc(-n2c(NC(=O)c3c[n-]c4ccccc4c3=O)nc3ccccc32)c1 ZINC000440154054 865384942 /nfs/dbraw/zinc/38/49/42/865384942.db2.gz VLDITZJBPHFVSI-UHFFFAOYSA-N -1 3 410.433 4.128 20 0 HIADHM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000440268679 865517708 /nfs/dbraw/zinc/51/77/08/865517708.db2.gz ITYWXUMHJGOYNP-MHZLTWQESA-N -1 3 421.584 4.248 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1OC ZINC000440293248 865546311 /nfs/dbraw/zinc/54/63/11/865546311.db2.gz MGCMTGPRYAIQPA-UHFFFAOYSA-N -1 3 403.422 4.308 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000440584843 865825739 /nfs/dbraw/zinc/82/57/39/865825739.db2.gz PQCKDMOAIQHXBP-UHFFFAOYSA-N -1 3 418.302 4.408 20 0 HIADHM CCc1ncsc1C(=O)[N-]c1nnc(-c2cc(Br)ccc2F)s1 ZINC000440785131 865909854 /nfs/dbraw/zinc/90/98/54/865909854.db2.gz JMTOWHWSEYQHAR-UHFFFAOYSA-N -1 3 413.297 4.378 20 0 HIADHM CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440943427 866040072 /nfs/dbraw/zinc/04/00/72/866040072.db2.gz QMPQTRFJAOLRAM-QGZVFWFLSA-N -1 3 409.511 4.399 20 0 HIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000440980525 866064304 /nfs/dbraw/zinc/06/43/04/866064304.db2.gz DRQWOPRIFSJINX-UHFFFAOYSA-N -1 3 405.376 4.407 20 0 HIADHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000441027218 866092746 /nfs/dbraw/zinc/09/27/46/866092746.db2.gz HDMVMYYCNQYNFA-ACJLOTCBSA-N -1 3 407.495 4.481 20 0 HIADHM O=c1nc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000441275778 866351614 /nfs/dbraw/zinc/35/16/14/866351614.db2.gz IMCGTNDKYKPQOM-HZPDHXFCSA-N -1 3 413.518 4.039 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N(CC(C)C)C(CC)CC)c2)n1 ZINC000442176416 867200743 /nfs/dbraw/zinc/20/07/43/867200743.db2.gz XHULMUJQEIDGHT-UHFFFAOYSA-N -1 3 412.534 4.023 20 0 HIADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1)c1ccncc1 ZINC000442220709 867246963 /nfs/dbraw/zinc/24/69/63/867246963.db2.gz FQPHAJCYUHNNAU-UHFFFAOYSA-N -1 3 423.828 4.066 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3o2)cc1Cl ZINC000442786214 867673682 /nfs/dbraw/zinc/67/36/82/867673682.db2.gz YXIWZCGMOQJRSQ-SNVBAGLBSA-N -1 3 410.854 4.223 20 0 HIADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1ccc(SC(C)C)cc1 ZINC000443067679 867808684 /nfs/dbraw/zinc/80/86/84/867808684.db2.gz FSMVJOWQSQWCAC-CYBMUJFWSA-N -1 3 411.520 4.152 20 0 HIADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000443070648 867809539 /nfs/dbraw/zinc/80/95/39/867809539.db2.gz BEXRCGFRFPZFHG-MRVPVSSYSA-N -1 3 424.252 4.098 20 0 HIADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000443076024 867812897 /nfs/dbraw/zinc/81/28/97/867812897.db2.gz XTFDSICSKSCQLX-GOSISDBHSA-N -1 3 411.882 4.085 20 0 HIADHM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1cccc(Cl)c1Br ZINC000443099837 867819366 /nfs/dbraw/zinc/81/93/66/867819366.db2.gz CBMFLUDLLBZXLJ-UHFFFAOYSA-N -1 3 413.724 4.105 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCc4cccnc43)cc2)cc1 ZINC000443856631 868387796 /nfs/dbraw/zinc/38/77/96/868387796.db2.gz GWFWDVFDDIYSPX-OAQYLSRUSA-N -1 3 421.522 4.249 20 0 HIADHM O=C([N-]c1nc2ccc(F)cn2n1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000443924847 868462803 /nfs/dbraw/zinc/46/28/03/868462803.db2.gz SXHSVHDCOFJLNR-UHFFFAOYSA-N -1 3 407.352 4.263 20 0 HIADHM O=C([N-]c1nc2ccc(F)cn2n1)c1csc(-c2ccc(Br)s2)n1 ZINC000443933664 868471828 /nfs/dbraw/zinc/47/18/28/868471828.db2.gz FXULYSBVJBLJET-UHFFFAOYSA-N -1 3 424.280 4.068 20 0 HIADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000444028553 868560277 /nfs/dbraw/zinc/56/02/77/868560277.db2.gz GQBCEZAVMUMBPG-UHFFFAOYSA-N -1 3 414.955 4.137 20 0 HIADHM Cc1cc(C)c([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c(Br)c1 ZINC000444055742 868595555 /nfs/dbraw/zinc/59/55/55/868595555.db2.gz ITCITVXVBPXPGS-UHFFFAOYSA-N -1 3 418.316 4.324 20 0 HIADHM CCN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)[C@@H](C)c1cccnc1 ZINC000444229994 868678982 /nfs/dbraw/zinc/67/89/82/868678982.db2.gz XAOCISLTZBZUMX-LBPRGKRZSA-N -1 3 405.376 4.045 20 0 HIADHM CC[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000468302430 882226543 /nfs/dbraw/zinc/22/65/43/882226543.db2.gz HSFJAVLJTYGJCM-AWEZNQCLSA-N -1 3 400.422 4.209 20 0 HIADHM CN(Cc1cccc2[nH]ccc21)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444406510 868814336 /nfs/dbraw/zinc/81/43/36/868814336.db2.gz HUQDSXBLHOTLCS-UHFFFAOYSA-N -1 3 410.271 4.044 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000444442225 868830123 /nfs/dbraw/zinc/83/01/23/868830123.db2.gz VVPZBNARJYVLSA-MOPGFXCFSA-N -1 3 410.562 4.184 20 0 HIADHM Cc1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c(C)cc1O ZINC000444660474 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416.543 4.211 20 0 HIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1Cl ZINC000447273856 871162258 /nfs/dbraw/zinc/16/22/58/871162258.db2.gz IVVIDDINPOQQJE-UHFFFAOYSA-N -1 3 408.838 4.498 20 0 HIADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H](c3ccccc3)[C@H](C)CC)c2)[n-]1 ZINC000447667859 871596711 /nfs/dbraw/zinc/59/67/11/871596711.db2.gz AOBDUTFLCDCCAZ-OXQOHEQNSA-N -1 3 420.513 4.095 20 0 HIADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H](c3ccccc3)[C@H](C)CC)c2)n[n-]1 ZINC000447667859 871596733 /nfs/dbraw/zinc/59/67/33/871596733.db2.gz AOBDUTFLCDCCAZ-OXQOHEQNSA-N -1 3 420.513 4.095 20 0 HIADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CCC(C)(C)c3ccccc3)c2)[n-]1 ZINC000447682555 871613163 /nfs/dbraw/zinc/61/31/63/871613163.db2.gz ZVHRVKYBDBPMCS-UHFFFAOYSA-N -1 3 420.513 4.023 20 0 HIADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CCC(C)(C)c3ccccc3)c2)n[n-]1 ZINC000447682555 871613187 /nfs/dbraw/zinc/61/31/87/871613187.db2.gz ZVHRVKYBDBPMCS-UHFFFAOYSA-N -1 3 420.513 4.023 20 0 HIADHM Cc1c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000460423353 873082907 /nfs/dbraw/zinc/08/29/07/873082907.db2.gz SOYDHDCKGYUGCZ-UHFFFAOYSA-N -1 3 400.262 4.427 20 0 HIADHM Cc1nc(C)c(CCC(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)c(=O)[n-]1 ZINC000460674489 873420529 /nfs/dbraw/zinc/42/05/29/873420529.db2.gz XBZXZVSPXZEORZ-UHFFFAOYSA-N -1 3 413.424 4.119 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000460827427 873712471 /nfs/dbraw/zinc/71/24/71/873712471.db2.gz GYMQFDVVHPXANI-UHFFFAOYSA-N -1 3 422.238 4.220 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c[nH]nc3-c3ccc(OC)cc3)c2)n1 ZINC000461878882 875031828 /nfs/dbraw/zinc/03/18/28/875031828.db2.gz WFTYFEMGHSQVAM-UHFFFAOYSA-N -1 3 415.453 4.063 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000462131235 875232345 /nfs/dbraw/zinc/23/23/45/875232345.db2.gz RBCNWSOBVGFOTC-UKRRQHHQSA-N -1 3 400.363 4.434 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)s1 ZINC000462136830 875236416 /nfs/dbraw/zinc/23/64/16/875236416.db2.gz SUOOIUGHFRBMLP-UHFFFAOYSA-N -1 3 412.733 4.133 20 0 HIADHM COc1cc(S(=O)(=O)[N-]c2cccc(Cn3ccnc3C(C)C)c2)ccc1F ZINC000468882804 882918800 /nfs/dbraw/zinc/91/88/00/882918800.db2.gz ICNNOLQLFHHZSB-UHFFFAOYSA-N -1 3 403.479 4.003 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](C)C3(CCCCC3)C2)cc1OC ZINC000462267085 875394664 /nfs/dbraw/zinc/39/46/64/875394664.db2.gz HCVPRFLGPAKTFI-INIZCTEOSA-N -1 3 423.579 4.281 20 0 HIADHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1ccc(Cl)cc1C(F)(F)F ZINC000462294704 875415853 /nfs/dbraw/zinc/41/58/53/875415853.db2.gz GCHOXTFKHKPAHU-UHFFFAOYSA-N -1 3 416.808 4.492 20 0 HIADHM O=S(=O)([N-][C@@H](Cc1ccccc1)c1cccs1)c1ccc(Br)cn1 ZINC000462346492 875460861 /nfs/dbraw/zinc/46/08/61/875460861.db2.gz NGSGTUWMODRAKG-HNNXBMFYSA-N -1 3 423.357 4.168 20 0 HIADHM O=S(=O)([N-][C@@H]1CCSc2ccc(Cl)cc21)c1ccc(Br)cn1 ZINC000462459315 875566180 /nfs/dbraw/zinc/56/61/80/875566180.db2.gz MPLFUBTZURBSGZ-GFCCVEGCSA-N -1 3 419.753 4.013 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)s1 ZINC000462461181 875569309 /nfs/dbraw/zinc/56/93/09/875569309.db2.gz WKTPNSGRBNTVDC-LBPRGKRZSA-N -1 3 422.366 4.474 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)s1 ZINC000462483726 875592963 /nfs/dbraw/zinc/59/29/63/875592963.db2.gz GLDYMTDCHHJOMW-UHFFFAOYSA-N -1 3 414.268 4.316 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c(Br)c1 ZINC000462551005 875675884 /nfs/dbraw/zinc/67/58/84/875675884.db2.gz LRSJJQGUYFSEOV-LLVKDONJSA-N -1 3 423.170 4.155 20 0 HIADHM CC[C@H]([N-]S(=O)(=O)c1c(Br)cc(C)cc1Br)C(C)C ZINC000462555187 875679575 /nfs/dbraw/zinc/67/95/75/875679575.db2.gz RDIFODCWASLQEQ-LBPRGKRZSA-N -1 3 413.175 4.233 20 0 HIADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000462557480 875682440 /nfs/dbraw/zinc/68/24/40/875682440.db2.gz VVRKPNDYLBZPSS-HNNXBMFYSA-N -1 3 421.824 4.099 20 0 HIADHM C[C@@H](COCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000462611316 875723338 /nfs/dbraw/zinc/72/33/38/875723338.db2.gz DZWGAYSMDDCOBQ-LBPRGKRZSA-N -1 3 407.841 4.242 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCCCCF)ccc2C)c(C)c1 ZINC000462635859 875746435 /nfs/dbraw/zinc/74/64/35/875746435.db2.gz GSWBLCIUXCRSJR-UHFFFAOYSA-N -1 3 406.523 4.201 20 0 HIADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)n2)c1 ZINC000462686889 875779766 /nfs/dbraw/zinc/77/97/66/875779766.db2.gz YPDKOHZAQFBCAF-INIZCTEOSA-N -1 3 415.515 4.018 20 0 HIADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000462701285 875788161 /nfs/dbraw/zinc/78/81/61/875788161.db2.gz KFGYVTQTPNRLQK-QGZVFWFLSA-N -1 3 412.845 4.291 20 0 HIADHM CCCC1(C(=O)NCc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)CCC1 ZINC000468921743 882981620 /nfs/dbraw/zinc/98/16/20/882981620.db2.gz KVXYYOAOVXQFBS-UHFFFAOYSA-N -1 3 416.543 4.083 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2sc(C3CCCC3)nc2C)cc1OC ZINC000463285038 876343190 /nfs/dbraw/zinc/34/31/90/876343190.db2.gz SOGQPXNSQGVYCC-UHFFFAOYSA-N -1 3 423.560 4.132 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000468964297 883031070 /nfs/dbraw/zinc/03/10/70/883031070.db2.gz NFNNUWXOAFQRNC-UHFFFAOYSA-N -1 3 404.869 4.382 20 0 HIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000464281317 877468981 /nfs/dbraw/zinc/46/89/81/877468981.db2.gz SZHVXEJEQLCHJN-QVKFZJNVSA-N -1 3 420.488 4.234 20 0 HIADHM COC(=O)c1cc([N-]C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)c(F)cc1F ZINC000503275142 912258759 /nfs/dbraw/zinc/25/87/59/912258759.db2.gz KUMRSNORNYNRBX-UHFFFAOYSA-N -1 3 414.412 4.016 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(C)(C)C3)c2)cc1 ZINC000464503721 877726486 /nfs/dbraw/zinc/72/64/86/877726486.db2.gz DBARIUOKQIKNRF-UHFFFAOYSA-N -1 3 416.543 4.067 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](C)Oc3ccccc3Cl)cc2)cc(=O)[n-]1 ZINC000466168248 879870318 /nfs/dbraw/zinc/87/03/18/879870318.db2.gz PZVRAHJIMUGMPI-CYBMUJFWSA-N -1 3 412.877 4.400 20 0 HIADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccccn4)cc3)cc2F)c1 ZINC000466260512 879988247 /nfs/dbraw/zinc/98/82/47/879988247.db2.gz CCINBNWTPHLHQE-UHFFFAOYSA-N -1 3 424.457 4.308 20 0 HIADHM COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)o1 ZINC000466627747 880400209 /nfs/dbraw/zinc/40/02/09/880400209.db2.gz UQVAHMKUSLOBBK-LJQANCHMSA-N -1 3 408.458 4.266 20 0 HIADHM Cc1cc(F)ccc1-n1cc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)nn1 ZINC000503531050 912586350 /nfs/dbraw/zinc/58/63/50/912586350.db2.gz QYGLJWKKPRELGB-UHFFFAOYSA-N -1 3 414.853 4.139 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc4c(c3)O[C@H](CC)C(=O)N4)nc2)n1 ZINC000467012490 880817057 /nfs/dbraw/zinc/81/70/57/880817057.db2.gz IDCGUBVEJYHPGJ-FZKQIMNGSA-N -1 3 419.485 4.089 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4n3C)c2)c(C)c1 ZINC000467084481 880854805 /nfs/dbraw/zinc/85/48/05/880854805.db2.gz YJHXXNHASBPHDS-UHFFFAOYSA-N -1 3 407.495 4.358 20 0 HIADHM CCS(=O)(=O)c1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000467090500 880856453 /nfs/dbraw/zinc/85/64/53/880856453.db2.gz 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O=C(CCCc1ccc([O-])c(F)c1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000469373180 883500660 /nfs/dbraw/zinc/50/06/60/883500660.db2.gz KGRFDEWMAVJGLA-UHFFFAOYSA-N -1 3 420.790 4.116 20 0 HIADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000469721043 883886518 /nfs/dbraw/zinc/88/65/18/883886518.db2.gz MXBXMLZKEQCOOV-BMIGLBTASA-N -1 3 409.711 4.349 20 0 HIADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc3c(C(F)F)nn(C)c3s2)s1 ZINC000469896361 884087875 /nfs/dbraw/zinc/08/78/75/884087875.db2.gz HRJZOZKEBUUQCQ-UHFFFAOYSA-N -1 3 423.445 4.791 20 0 HIADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(C)co3)ccc2C)cc1 ZINC000470446639 884844103 /nfs/dbraw/zinc/84/41/03/884844103.db2.gz TUEFZCOEHYURPM-UHFFFAOYSA-N -1 3 416.499 4.175 20 0 HIADHM C[C@H](SCC1(CS(C)(=O)=O)CC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000503946760 912878174 /nfs/dbraw/zinc/87/81/74/912878174.db2.gz PZNSZESCADGKTI-NSHDSACASA-N -1 3 424.569 4.276 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cccc(Cn2ccnc2)c1 ZINC000470561163 884976487 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CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000476927531 891873847 /nfs/dbraw/zinc/87/38/47/891873847.db2.gz ODSGWIXXQGHQEO-UHFFFAOYSA-N -1 3 406.511 4.404 20 0 HIADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)o2)cs1 ZINC000477159733 892081342 /nfs/dbraw/zinc/08/13/42/892081342.db2.gz HXIZSSSANCIUAM-UHFFFAOYSA-N -1 3 403.312 4.497 20 0 HIADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(Br)ccc1OC(F)F ZINC000477814624 892883898 /nfs/dbraw/zinc/88/38/98/892883898.db2.gz ADULRPCJIUAHPI-BPNCWPANSA-N -1 3 404.251 4.268 20 0 HIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(F)c(F)cc2Br)c1F ZINC000478055905 893210387 /nfs/dbraw/zinc/21/03/87/893210387.db2.gz CYRVDTWCLOCFHP-UHFFFAOYSA-N -1 3 406.129 4.044 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000478265491 893453638 /nfs/dbraw/zinc/45/36/38/893453638.db2.gz IEIMDNSEYZUXDB-RDJZCZTQSA-N -1 3 423.444 4.146 20 0 HIADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC[C@@H]1Cc1ccccc1 ZINC000478557253 893847708 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402.376 4.145 20 0 HIADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)cc1C ZINC000481141288 896470423 /nfs/dbraw/zinc/47/04/23/896470423.db2.gz LSZOYCNPMZJFCX-UHFFFAOYSA-N -1 3 404.532 4.406 20 0 HIADHM CC(=O)Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2SC(C)C)ccc1[O-] ZINC000481611663 896992972 /nfs/dbraw/zinc/99/29/72/896992972.db2.gz DZVVKQFJEQAMEV-UHFFFAOYSA-N -1 3 414.936 4.305 20 0 HIADHM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c1 ZINC000481875491 897247130 /nfs/dbraw/zinc/24/71/30/897247130.db2.gz OHRQKMPIHBTBRF-UHFFFAOYSA-N -1 3 417.756 4.273 20 0 HIADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000481888484 897263781 /nfs/dbraw/zinc/26/37/81/897263781.db2.gz OBAGELUFDPOZTG-MRXNPFEDSA-N -1 3 421.534 4.475 20 0 HIADHM COc1ccc2ccccc2c1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000481913233 897295753 /nfs/dbraw/zinc/29/57/53/897295753.db2.gz DMSFHWFBSDGCES-UHFFFAOYSA-N -1 3 415.287 4.316 20 0 HIADHM C[C@H](OCCCNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000481922872 897305736 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O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000482648927 898253333 /nfs/dbraw/zinc/25/33/33/898253333.db2.gz GJXSLYANOLEGEP-QGZVFWFLSA-N -1 3 417.435 4.387 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000482652566 898255526 /nfs/dbraw/zinc/25/55/26/898255526.db2.gz SOVQDZLRICACFR-KRWDZBQOSA-N -1 3 415.375 4.159 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000482674464 898275743 /nfs/dbraw/zinc/27/57/43/898275743.db2.gz UJPJSOYNVJXCCM-HNNXBMFYSA-N -1 3 409.799 4.066 20 0 HIADHM COc1cc([C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)ccc1OC1CCCC1 ZINC000483096936 898786672 /nfs/dbraw/zinc/78/66/72/898786672.db2.gz FZWSTQCXNLWMCO-OAHLLOKOSA-N -1 3 406.482 4.349 20 0 HIADHM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483122288 898810290 /nfs/dbraw/zinc/81/02/90/898810290.db2.gz NUSIYWARHXDVRX-CQSZACIVSA-N -1 3 413.444 4.199 20 0 HIADHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000483232867 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900417716 /nfs/dbraw/zinc/41/77/16/900417716.db2.gz VDKCNTJSOJJCLF-UHFFFAOYSA-N -1 3 400.341 4.080 20 0 HIADHM Cc1c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cnn1-c1ccccc1F ZINC000485114144 900419322 /nfs/dbraw/zinc/41/93/22/900419322.db2.gz RMZVOXNQUUDIGU-UHFFFAOYSA-N -1 3 402.389 4.103 20 0 HIADHM Cc1c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cnn1-c1ccccc1F ZINC000485114144 900419333 /nfs/dbraw/zinc/41/93/33/900419333.db2.gz RMZVOXNQUUDIGU-UHFFFAOYSA-N -1 3 402.389 4.103 20 0 HIADHM COCc1nc(C(=O)[N-]c2ccc(F)c(C(=O)OC)c2F)c(-c2ccccc2)s1 ZINC000485179561 900474796 /nfs/dbraw/zinc/47/47/96/900474796.db2.gz YXWZTRXVNVVPOD-UHFFFAOYSA-N -1 3 418.421 4.274 20 0 HIADHM COc1ccccc1-c1nc([N-]C(=O)c2csc(-c3ccc(F)c(F)c3)n2)n[nH]1 ZINC000505784591 914451088 /nfs/dbraw/zinc/45/10/88/914451088.db2.gz YCTSKHKVJGBLNT-UHFFFAOYSA-N -1 3 413.409 4.134 20 0 HIADHM COc1ccc(C2(NC(=O)NCc3ccc([O-])c(Br)c3)CCCC2)cc1 ZINC000485570852 900839206 /nfs/dbraw/zinc/83/92/06/900839206.db2.gz BWUGVCAAQITRJH-UHFFFAOYSA-N -1 3 419.319 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901585349 /nfs/dbraw/zinc/58/53/49/901585349.db2.gz UIMUPWBHPRNPGE-INIZCTEOSA-N -1 3 405.292 4.210 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCCC[C@H]1c1ccncc1 ZINC000486629222 901763747 /nfs/dbraw/zinc/76/37/47/901763747.db2.gz RNZNBSYLMYGEFG-KRWDZBQOSA-N -1 3 404.308 4.377 20 0 HIADHM COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc(OC)c1[O-] ZINC000487072183 902046666 /nfs/dbraw/zinc/04/66/66/902046666.db2.gz HKJVQJQRNSDUNA-HSZRJFAPSA-N -1 3 419.477 4.254 20 0 HIADHM Cc1nc(C)c(CC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c(=O)[n-]1 ZINC000487664791 902282379 /nfs/dbraw/zinc/28/23/79/902282379.db2.gz ZRYAHMSJBGVDBC-UHFFFAOYSA-N -1 3 422.432 4.046 20 0 HIADHM CCn1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nc2sc3c(c2c1=O)CCCC3 ZINC000487997828 902519644 /nfs/dbraw/zinc/51/96/44/902519644.db2.gz GJTJIMQWWJUJLD-NSHDSACASA-N -1 3 402.545 4.014 20 0 HIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)n1 ZINC000488496844 902855741 /nfs/dbraw/zinc/85/57/41/902855741.db2.gz ZBOGKAYLDDOKBM-SJORKVTESA-N 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ZINC000561085702 944439572 /nfs/dbraw/zinc/43/95/72/944439572.db2.gz TUABFALPIXUVGS-UHFFFAOYSA-N -1 3 421.350 4.205 20 0 HIADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@@H](c2ccccc2)C1 ZINC000562118897 944952061 /nfs/dbraw/zinc/95/20/61/944952061.db2.gz UMCYKABWQOKZJT-OAHLLOKOSA-N -1 3 411.299 4.310 20 0 HIADHM CCOc1cc(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)cc(Cl)c1[O-] ZINC000564094034 945376619 /nfs/dbraw/zinc/37/66/19/945376619.db2.gz LRUJNFCUOUVMJM-KRWDZBQOSA-N -1 3 408.951 4.199 20 0 HIADHM COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000564325493 945516930 /nfs/dbraw/zinc/51/69/30/945516930.db2.gz OSJAIGGRJZLIGP-KRWDZBQOSA-N -1 3 415.877 4.141 20 0 HIADHM O=C(N[C@@H](C1CC1)C(F)(F)F)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000564373020 945537879 /nfs/dbraw/zinc/53/78/79/945537879.db2.gz YMBWWNBMKFDXIX-ZDUSSCGKSA-N -1 3 423.616 4.015 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccc4ncsc4c3)cs2)c1 ZINC000564488642 945619254 /nfs/dbraw/zinc/61/92/54/945619254.db2.gz 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3 416.433 4.086 20 0 HIADHM CN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3[O-])c(C(F)(F)F)c2)CC1 ZINC000436554668 861848863 /nfs/dbraw/zinc/84/88/63/861848863.db2.gz KWZILFCXBFHDHF-UHFFFAOYSA-N -1 3 413.827 4.069 20 0 HIADHM [O-]c1ccc(Br)cc1/C=N/C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000031854323 847958816 /nfs/dbraw/zinc/95/88/16/847958816.db2.gz OXCHQBYUWTZIEJ-FNLSEGDXSA-N -1 3 423.738 4.301 20 0 HIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC3CCCC3)cc2)ccc1F ZINC000031913870 847964694 /nfs/dbraw/zinc/96/46/94/847964694.db2.gz VNNQJUMZQPHCQY-UHFFFAOYSA-N -1 3 420.506 4.086 20 0 HIADHM CNC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1Cl ZINC000436561346 861852180 /nfs/dbraw/zinc/85/21/80/861852180.db2.gz GCSZWTKYTWOTHN-UHFFFAOYSA-N -1 3 410.857 4.237 20 0 HIADHM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000032088926 847987035 /nfs/dbraw/zinc/98/70/35/847987035.db2.gz IQPOOFVKFTXEEI-UHFFFAOYSA-N -1 3 416.587 4.440 20 0 HIADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 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ZINC000036264216 848147936 /nfs/dbraw/zinc/14/79/36/848147936.db2.gz VCVAODJMGDJOCK-GFCCVEGCSA-N -1 3 409.379 4.380 20 0 HIADHM CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(F)cc1 ZINC000436623763 861873592 /nfs/dbraw/zinc/87/35/92/861873592.db2.gz JBALYUAIQHTLJY-JOCHJYFZSA-N -1 3 406.457 4.446 20 0 HIADHM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436625055 861874245 /nfs/dbraw/zinc/87/42/45/861874245.db2.gz LMRFSNBXVTZTEA-HXUWFJFHSA-N -1 3 410.514 4.259 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H](C)c3cccs3)cs2)c1 ZINC000436629124 861875311 /nfs/dbraw/zinc/87/53/11/861875311.db2.gz TXAZKHPWZQCKND-ZDUSSCGKSA-N -1 3 415.540 4.233 20 0 HIADHM Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cn2)cc1 ZINC000436628050 861875392 /nfs/dbraw/zinc/87/53/92/861875392.db2.gz ZYHJUEZMOLMJNU-HXUWFJFHSA-N -1 3 417.465 4.131 20 0 HIADHM O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1c([O-])cccc1O ZINC000436649808 861882038 /nfs/dbraw/zinc/88/20/38/861882038.db2.gz UEMXKNAPQQVWQU-UHFFFAOYSA-N -1 3 422.868 4.483 20 0 HIADHM O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cc(=O)c2ccccc2[n-]1 ZINC000041867131 848259664 /nfs/dbraw/zinc/25/96/64/848259664.db2.gz MDIJHXDPNPSZIA-UHFFFAOYSA-N -1 3 401.447 4.328 20 0 HIADHM O=C(N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1cc2ccccc2cc1[O-] ZINC000436663760 861887249 /nfs/dbraw/zinc/88/72/49/861887249.db2.gz HHWXBMAMFKOARZ-GOSISDBHSA-N -1 3 412.371 4.202 20 0 HIADHM CCCCCNC(=O)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000042184704 848298519 /nfs/dbraw/zinc/29/85/19/848298519.db2.gz MGYDOSJQIQUDKX-GFCCVEGCSA-N -1 3 405.545 4.345 20 0 HIADHM COc1cc(-c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)cc(OC)c1[O-] ZINC000436688769 861894112 /nfs/dbraw/zinc/89/41/12/861894112.db2.gz LTNLNJLKZOMOCO-UHFFFAOYSA-N -1 3 410.348 4.205 20 0 HIADHM Cc1ccc(C(=O)NCCc2nc(CSc3ccc(Cl)cc3)no2)c([O-])c1 ZINC000436689773 861894271 /nfs/dbraw/zinc/89/42/71/861894271.db2.gz OHVKGJRSYGSGGC-UHFFFAOYSA-N -1 3 403.891 4.002 20 0 HIADHM CC(C)c1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c([O-])c1 ZINC000436674994 861891017 /nfs/dbraw/zinc/89/10/17/861891017.db2.gz TTWQBCBAYPSAFE-HOYKHHGWSA-N -1 3 418.497 4.155 20 0 HIADHM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436677117 861891641 /nfs/dbraw/zinc/89/16/41/861891641.db2.gz BBQPWXSZPHAUFA-SNVBAGLBSA-N -1 3 400.431 4.183 20 0 HIADHM CC(C)c1sc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)nc1-c1ccccc1 ZINC000042919594 848365759 /nfs/dbraw/zinc/36/57/59/848365759.db2.gz FRMWZAQOFJBYMT-UHFFFAOYSA-N -1 3 419.528 4.029 20 0 HIADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1c(Cl)cccc1Cl ZINC000436699178 861896815 /nfs/dbraw/zinc/89/68/15/861896815.db2.gz QLWDCOPNPLIRDM-DYVFJYSZSA-N -1 3 421.324 4.224 20 0 HIADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000436701050 861896933 /nfs/dbraw/zinc/89/69/33/861896933.db2.gz YRNOLROGPHKGJU-QHCPKHFHSA-N -1 3 412.489 4.206 20 0 HIADHM CC(C)[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1 ZINC000436702312 861898098 /nfs/dbraw/zinc/89/80/98/861898098.db2.gz COHKTJSULPETEO-OAQYLSRUSA-N -1 3 414.933 4.206 20 0 HIADHM C[C@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1cccc2ccccc21 ZINC000043237775 848397963 /nfs/dbraw/zinc/39/79/63/848397963.db2.gz BPANXAYZJVXOBO-ZDUSSCGKSA-N -1 3 412.287 4.308 20 0 HIADHM COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(O)cc3[O-])C2)n1 ZINC000436707398 861898733 /nfs/dbraw/zinc/89/87/33/861898733.db2.gz GXOORAJLUAAELY-CQSZACIVSA-N -1 3 410.495 4.250 20 0 HIADHM Cc1csc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])c2)n1 ZINC000436722567 861907820 /nfs/dbraw/zinc/90/78/20/861907820.db2.gz MIPZLXXVKWZQFB-GOSISDBHSA-N -1 3 407.495 4.067 20 0 HIADHM Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)sc1-c1ccc(F)cc1 ZINC000436724043 861910177 /nfs/dbraw/zinc/91/01/77/861910177.db2.gz MVUAQKSWHUFRDQ-UHFFFAOYSA-N -1 3 424.497 4.166 20 0 HIADHM Cc1c(NCC(C)(C)C)cccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436726199 861911585 /nfs/dbraw/zinc/91/15/85/861911585.db2.gz 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CN(C)[C@@H](CNC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl)c1ccsc1 ZINC000046347528 848829782 /nfs/dbraw/zinc/82/97/82/848829782.db2.gz KFMSDVBICBBNNE-NSHDSACASA-N -1 3 408.742 4.032 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)c3ccccc3)c2)cc1 ZINC000046469500 848855678 /nfs/dbraw/zinc/85/56/78/848855678.db2.gz PAAUVEIPNGOIGK-UHFFFAOYSA-N -1 3 410.495 4.081 20 0 HIADHM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000436762823 861952343 /nfs/dbraw/zinc/95/23/43/861952343.db2.gz HVAWJPOHQGZMOQ-HNNXBMFYSA-N -1 3 402.376 4.173 20 0 HIADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc(-c3ccc(O)cc3)no2)c1 ZINC000436768442 861959567 /nfs/dbraw/zinc/95/95/67/861959567.db2.gz HVYUIWMBTIAGTM-UHFFFAOYSA-N -1 3 411.414 4.049 20 0 HIADHM CC(C)CCn1c(=O)c2ccccc2nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436774723 861966457 /nfs/dbraw/zinc/96/64/57/861966457.db2.gz NKGMJPYYBDBZTI-UHFFFAOYSA-N -1 3 422.510 4.491 20 0 HIADHM CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccc1 ZINC000047271339 849017354 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20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)cc1 ZINC000071815264 852411401 /nfs/dbraw/zinc/41/14/01/852411401.db2.gz VENWXVQUODKMMR-UHFFFAOYSA-N -1 3 406.507 4.466 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2nc(C3CC3)cs2)CC1 ZINC000071940104 852438795 /nfs/dbraw/zinc/43/87/95/852438795.db2.gz DCYMFHNMIVNAIG-UHFFFAOYSA-N -1 3 420.922 4.262 20 0 HIADHM COC(=O)c1cc(C)nc2nc(SCc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000072040368 852481596 /nfs/dbraw/zinc/48/15/96/852481596.db2.gz LBLSMSWCXHGGOF-UHFFFAOYSA-N -1 3 410.282 4.012 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(Cl)c4ccccc4n3C)c2)n1 ZINC000108645886 852868308 /nfs/dbraw/zinc/86/83/08/852868308.db2.gz GUNAVJNUIMHPIH-UHFFFAOYSA-N -1 3 406.873 4.397 20 0 HIADHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c(C)n1 ZINC000109084853 852918714 /nfs/dbraw/zinc/91/87/14/852918714.db2.gz AXPSIDDYAXHGKT-UHFFFAOYSA-N -1 3 409.511 4.368 20 0 HIADHM COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000109127966 852925881 /nfs/dbraw/zinc/92/58/81/852925881.db2.gz QSEPCZNHDWILMR-UHFFFAOYSA-N -1 3 423.296 4.199 20 0 HIADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1ccc(Cl)nc1Cl ZINC000110204272 853073332 /nfs/dbraw/zinc/07/33/32/853073332.db2.gz ATERXUHTACLSHG-UHFFFAOYSA-N -1 3 400.056 4.091 20 0 HIADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(Br)cnc1Cl ZINC000110320100 853087036 /nfs/dbraw/zinc/08/70/36/853087036.db2.gz IBKIGVHAEOUERZ-UHFFFAOYSA-N -1 3 401.698 4.330 20 0 HIADHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1cccc(C(F)(F)F)c1 ZINC000113531895 853242804 /nfs/dbraw/zinc/24/28/04/853242804.db2.gz WUUZMQWVNCAOGC-UHFFFAOYSA-N -1 3 415.618 4.317 20 0 HIADHM COc1ccc(NC(=O)/C=C(/C)C2CC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000117597636 853362344 /nfs/dbraw/zinc/36/23/44/853362344.db2.gz COHDGZKCURRBSN-QBFSEMIESA-N -1 3 420.918 4.444 20 0 HIADHM CC/C=C(/C)C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000139491090 853411365 /nfs/dbraw/zinc/41/13/65/853411365.db2.gz JZMGDCOXCKNAND-QPEQYQDCSA-N -1 3 408.907 4.444 20 0 HIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000142429257 853494925 /nfs/dbraw/zinc/49/49/25/853494925.db2.gz XOEYMPVLIGPTKE-MRXNPFEDSA-N -1 3 411.299 4.138 20 0 HIADHM CC(C)[C@H]([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2ccncc2)no1 ZINC000207233905 853802362 /nfs/dbraw/zinc/80/23/62/853802362.db2.gz VXCDHCFPSFYIAM-GKUQOKNUSA-N -1 3 418.906 4.072 20 0 HIADHM CCOc1cc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc(Cl)c1[O-] ZINC000215909953 853840615 /nfs/dbraw/zinc/84/06/15/853840615.db2.gz FYJFHPWZLYLSFL-LJQANCHMSA-N -1 3 418.921 4.020 20 0 HIADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cc(F)c(F)c(F)c3)nc(=O)c2c1C ZINC000216747979 853857656 /nfs/dbraw/zinc/85/76/56/853857656.db2.gz RMFKVMKUIMGZBY-BAQGIRSFSA-N -1 3 414.792 4.234 20 0 HIADHM COCCOC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(C)cc3)nc(=O)c2c1C ZINC000229903301 853893541 /nfs/dbraw/zinc/89/35/41/853893541.db2.gz LRVUFYHINUQECG-GXDHUFHOSA-N -1 3 418.902 4.142 20 0 HIADHM O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccc([O-])c(Br)c1 ZINC000229902780 853893626 /nfs/dbraw/zinc/89/36/26/853893626.db2.gz XQIHIFHCXMEGON-XFFZJAGNSA-N -1 3 403.663 4.462 20 0 HIADHM COc1cccc(-c2noc([C@@H](C)NCc3cc(Br)ccc3[O-])n2)c1 ZINC000237350072 854011719 /nfs/dbraw/zinc/01/17/19/854011719.db2.gz LODTUNFZIMXXIC-LLVKDONJSA-N -1 3 404.264 4.064 20 0 HIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000247504480 854157693 /nfs/dbraw/zinc/15/76/93/854157693.db2.gz RANVATFAZYZNKJ-UHFFFAOYSA-N -1 3 401.323 4.430 20 0 HIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000247504480 854157701 /nfs/dbraw/zinc/15/77/01/854157701.db2.gz RANVATFAZYZNKJ-UHFFFAOYSA-N -1 3 401.323 4.430 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3coc(-c4ccc(F)cc4)n3)nc2)n1 ZINC000301290597 854349623 /nfs/dbraw/zinc/34/96/23/854349623.db2.gz QBWVQGAKWUYBTO-UHFFFAOYSA-N -1 3 405.433 4.255 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](O)c3c(Cl)cccc3Cl)nc2)n1 ZINC000301340767 854364299 /nfs/dbraw/zinc/36/42/99/854364299.db2.gz IBVOGJHPXVODEF-HNNXBMFYSA-N -1 3 405.285 4.259 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000437316685 862581129 /nfs/dbraw/zinc/58/11/29/862581129.db2.gz PSTPGTVQJHBPOO-SNVBAGLBSA-N -1 3 420.903 4.039 20 0 HIADHM O=S(=O)([N-]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Br)s1 ZINC000437336390 862609335 /nfs/dbraw/zinc/60/93/35/862609335.db2.gz KBQLGBDULPZNRM-IUCAKERBSA-N -1 3 406.289 4.158 20 0 HIADHM CCCO[C@H]1CCCN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)CC1 ZINC000303385106 854902416 /nfs/dbraw/zinc/90/24/16/854902416.db2.gz NKVFVPAQBLOKHW-CABCVRRESA-N -1 3 421.563 4.224 20 0 HIADHM Cc1c(C(=O)[N-]c2nnc(-c3ccsc3)s2)nnn1-c1ccc(F)c(Cl)c1 ZINC000303397556 854907667 /nfs/dbraw/zinc/90/76/67/854907667.db2.gz QAXVVJMPOUUQKE-UHFFFAOYSA-N -1 3 420.882 4.201 20 0 HIADHM CC[C@@H](C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000303562894 855041802 /nfs/dbraw/zinc/04/18/02/855041802.db2.gz XPXZGXIDXYTOCV-GFCCVEGCSA-N -1 3 409.379 4.046 20 0 HIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C3CCCCC3)c2)cc1 ZINC000303687833 855133027 /nfs/dbraw/zinc/13/30/27/855133027.db2.gz UKDNZDFQQAZDMS-MHZLTWQESA-N -1 3 421.584 4.468 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3csc(-c4ccoc4)n3)c2)n1 ZINC000303754864 855175337 /nfs/dbraw/zinc/17/53/37/855175337.db2.gz GFJPADDCMBPONL-UHFFFAOYSA-N -1 3 406.467 4.309 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1Br ZINC000325126829 855401148 /nfs/dbraw/zinc/40/11/48/855401148.db2.gz DVCAMIDAJHKUBY-UHFFFAOYSA-N -1 3 414.321 4.354 20 0 HIADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000326081585 855407678 /nfs/dbraw/zinc/40/76/78/855407678.db2.gz KUBHEPPYERDDSF-UHFFFAOYSA-N -1 3 413.312 4.298 20 0 HIADHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1ccc(C(F)(F)F)cc1 ZINC000389586089 855450583 /nfs/dbraw/zinc/45/05/83/855450583.db2.gz YXOWWWZTLFWKTJ-UHFFFAOYSA-N -1 3 415.618 4.317 20 0 HIADHM O=S(=O)([N-]c1ccc(OC(F)(F)F)c(Br)c1)c1ccc(F)cc1 ZINC000391400864 855459783 /nfs/dbraw/zinc/45/97/83/855459783.db2.gz RFONWNKRQCALQQ-UHFFFAOYSA-N -1 3 414.174 4.288 20 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/nfs/dbraw/zinc/45/59/81/856455981.db2.gz BEIKNWZAYZAQBC-KRWDZBQOSA-N -1 3 400.327 4.478 20 0 HIADHM COc1cc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1OCc1ccncc1 ZINC000426754297 856457158 /nfs/dbraw/zinc/45/71/58/856457158.db2.gz PEKBWHLYWNFOIU-QHCPKHFHSA-N -1 3 406.482 4.202 20 0 HIADHM COc1cccc(CSC[C@H](NCc2ccc(C)cc2Br)C(=O)[O-])c1 ZINC000426754477 856457835 /nfs/dbraw/zinc/45/78/35/856457835.db2.gz QNQNIXLQXURNBD-SFHVURJKSA-N -1 3 424.360 4.242 20 0 HIADHM Cc1cc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)ccc1-n1cncn1 ZINC000426755002 856458902 /nfs/dbraw/zinc/45/89/02/856458902.db2.gz VYRQICMHBFIXHV-QGZVFWFLSA-N -1 3 405.285 4.188 20 0 HIADHM Cc1cc(Br)ccc1CN[C@H](CC(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000426757342 856459947 /nfs/dbraw/zinc/45/99/47/856459947.db2.gz CKPUFQKIFJLMMM-LJQANCHMSA-N -1 3 414.303 4.249 20 0 HIADHM O=C([O-])[C@@H](NCc1ccc(OC(F)F)c(Br)c1)c1ccc(F)cc1 ZINC000426770242 856469315 /nfs/dbraw/zinc/46/93/15/856469315.db2.gz QGOAURVWJVFITB-AWEZNQCLSA-N -1 3 404.182 4.105 20 0 HIADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)ccc1OCc1ccc(F)cc1 ZINC000426782575 856475914 /nfs/dbraw/zinc/47/59/14/856475914.db2.gz GXQNLJLODCGTIM-HXUWFJFHSA-N -1 3 401.459 4.390 20 0 HIADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)ccc1OC(C)C ZINC000426791880 856481476 /nfs/dbraw/zinc/48/14/76/856481476.db2.gz GWDQQXNTYKRTTP-SFHVURJKSA-N -1 3 408.292 4.160 20 0 HIADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1OCC ZINC000426794436 856482277 /nfs/dbraw/zinc/48/22/77/856482277.db2.gz RLAQOSAAQVNKDR-SFHVURJKSA-N -1 3 408.292 4.162 20 0 HIADHM COc1ccc(C(=O)Nc2cccc(CN[C@H](C(=O)[O-])c3ccc(F)cc3)c2)cc1 ZINC000426807268 856489380 /nfs/dbraw/zinc/48/93/80/856489380.db2.gz HDHXXWVFGKMYBB-NRFANRHFSA-N -1 3 408.429 4.002 20 0 HIADHM CCOc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)ccc1OCC(F)(F)F ZINC000426814745 856493508 /nfs/dbraw/zinc/49/35/08/856493508.db2.gz AYVNIJRILWALQS-KRWDZBQOSA-N -1 3 401.356 4.081 20 0 HIADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc(Cl)c1OC ZINC000426827918 856502032 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868057711 /nfs/dbraw/zinc/05/77/11/868057711.db2.gz SFWDRCLVCRZOLQ-UHFFFAOYSA-N -1 3 403.262 4.126 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CC[C@H]2CC[C@@H](C)O2)cc1 ZINC000443874004 868403630 /nfs/dbraw/zinc/40/36/30/868403630.db2.gz HZHLYHFQPWCFDH-IEBWSBKVSA-N -1 3 416.543 4.390 20 0 HIADHM Cc1cc(Cl)c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000443943640 868480407 /nfs/dbraw/zinc/48/04/07/868480407.db2.gz LGYCXUYRIYCMBC-UHFFFAOYSA-N -1 3 422.312 4.434 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)cc(C)c1F ZINC000444031049 868566024 /nfs/dbraw/zinc/56/60/24/868566024.db2.gz LSQLATFXZQXTKV-UHFFFAOYSA-N -1 3 408.564 4.101 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 ZINC000444756499 868988553 /nfs/dbraw/zinc/98/85/53/868988553.db2.gz FOUUAPDZFJTBOX-OAHLLOKOSA-N -1 3 404.747 4.177 20 0 HIADHM Cc1nc(C)c(CCC(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000468364867 882305641 /nfs/dbraw/zinc/30/56/41/882305641.db2.gz OXPJHZNMIJWSBN-NRFANRHFSA-N -1 3 413.880 4.430 20 0 HIADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2cc3ccccc3o2)no1 ZINC000445661301 869728489 /nfs/dbraw/zinc/72/84/89/869728489.db2.gz DKLDFOJMCRXDRZ-NSHDSACASA-N -1 3 403.847 4.176 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnc(Cc4ccccc4)s3)cc2)n1 ZINC000445916810 869886542 /nfs/dbraw/zinc/88/65/42/869886542.db2.gz CMVPWHSFQGJXOG-UHFFFAOYSA-N -1 3 402.479 4.045 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC[C@H](C(C)C)C1 ZINC000446515497 870433339 /nfs/dbraw/zinc/43/33/39/870433339.db2.gz RYOMQZCRHPGSTL-INIZCTEOSA-N -1 3 404.507 4.053 20 0 HIADHM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000446823430 870739809 /nfs/dbraw/zinc/73/98/09/870739809.db2.gz MJSLDPDFIKMONM-UHFFFAOYSA-N -1 3 407.923 4.058 20 0 HIADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000446919311 870834276 /nfs/dbraw/zinc/83/42/76/870834276.db2.gz FSSCHRMNLPTAPT-SCLBCKFNSA-N -1 3 415.964 4.005 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C)cc3OCC(F)(F)F)nc2)n1 ZINC000447069126 870948997 /nfs/dbraw/zinc/94/89/97/870948997.db2.gz ULGFEEYCOBLVOI-UHFFFAOYSA-N -1 3 418.419 4.668 20 0 HIADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1 ZINC000447271583 871157137 /nfs/dbraw/zinc/15/71/37/871157137.db2.gz OZNHUJKBMOOHEJ-UHFFFAOYSA-N -1 3 416.474 4.369 20 0 HIADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1OC ZINC000447782131 871714891 /nfs/dbraw/zinc/71/48/91/871714891.db2.gz WXDQWJPSABVVLH-UHFFFAOYSA-N -1 3 424.675 4.060 20 0 HIADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCCCC3)cc2)cc1 ZINC000460832062 873718891 /nfs/dbraw/zinc/71/88/91/873718891.db2.gz WNPRRYYEOROQRA-UHFFFAOYSA-N -1 3 416.543 4.429 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2Cl)c(Cl)c1Cl ZINC000460836186 873725141 /nfs/dbraw/zinc/72/51/41/873725141.db2.gz ABOCZUCEMVADSW-UHFFFAOYSA-N -1 3 423.705 4.415 20 0 HIADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)s1 ZINC000460949846 873848565 /nfs/dbraw/zinc/84/85/65/873848565.db2.gz MWRHXLNACWUQHF-GFCCVEGCSA-N -1 3 423.585 4.186 20 0 HIADHM COc1ccc(-n2nc(C(=O)[N-]c3c(F)cc(C(C)=O)c(F)c3F)cc2C)cc1 ZINC000461078726 873983571 /nfs/dbraw/zinc/98/35/71/873983571.db2.gz BLXFDFUKVCVKMK-UHFFFAOYSA-N -1 3 403.360 4.062 20 0 HIADHM C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468858980 882893598 /nfs/dbraw/zinc/89/35/98/882893598.db2.gz GBTGJUXZPCCWBR-HNNXBMFYSA-N -1 3 406.448 4.038 20 0 HIADHM C[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@H]1C ZINC000468873677 882906132 /nfs/dbraw/zinc/90/61/32/882906132.db2.gz JDXZXEZFIOVDNC-HFBDOXOYSA-N -1 3 411.727 4.499 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2ccccc2)s1 ZINC000462131233 875231944 /nfs/dbraw/zinc/23/19/44/875231944.db2.gz RBCNWSOBVGFOTC-DZGCQCFKSA-N -1 3 400.363 4.434 20 0 HIADHM COCCc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)cc1 ZINC000462380581 875492674 /nfs/dbraw/zinc/49/26/74/875492674.db2.gz PDTWZDPWEMMVKT-KRWDZBQOSA-N -1 3 402.560 4.036 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccccn2)s1 ZINC000462471695 875577824 /nfs/dbraw/zinc/57/78/24/875577824.db2.gz GAZNTGYGXAJNNJ-INIZCTEOSA-N -1 3 423.357 4.282 20 0 HIADHM CCC[C@H](CC)[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000462519005 875636037 /nfs/dbraw/zinc/63/60/37/875636037.db2.gz XSKSVTHJIHLKFB-JTQLQIEISA-N -1 3 413.175 4.377 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccncc2)s1 ZINC000462553611 875678071 /nfs/dbraw/zinc/67/80/71/875678071.db2.gz OYHVFECNVHPBDC-INIZCTEOSA-N -1 3 423.357 4.282 20 0 HIADHM C[C@H](COCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000462611315 875723179 /nfs/dbraw/zinc/72/31/79/875723179.db2.gz DZWGAYSMDDCOBQ-GFCCVEGCSA-N -1 3 407.841 4.242 20 0 HIADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(Cl)c1 ZINC000462686892 875780306 /nfs/dbraw/zinc/78/03/06/875780306.db2.gz YPKRUUOXIXGOGW-AWEZNQCLSA-N -1 3 411.804 4.164 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)s1 ZINC000462688321 875780354 /nfs/dbraw/zinc/78/03/54/875780354.db2.gz WKQDHHRQFMWFJR-ZFWWWQNUSA-N -1 3 416.362 4.018 20 0 HIADHM Cc1c(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)oc2c1C(=O)CCC2 ZINC000463166800 876221716 /nfs/dbraw/zinc/22/17/16/876221716.db2.gz COBALXDJOZUWBL-UHFFFAOYSA-N -1 3 405.241 4.451 20 0 HIADHM COC(=O)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Cl)c(F)c1 ZINC000468943638 883010008 /nfs/dbraw/zinc/01/00/08/883010008.db2.gz LDHIBFUXJHKUJD-QGZVFWFLSA-N -1 3 411.832 4.067 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2CCC(c3ccccc3)CC2)cc1OC ZINC000463288126 876347607 /nfs/dbraw/zinc/34/76/07/876347607.db2.gz LSGOJEOXAXBOAU-UHFFFAOYSA-N -1 3 416.543 4.369 20 0 HIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000463485527 876544235 /nfs/dbraw/zinc/54/42/35/876544235.db2.gz UQUKTRFJOUJSEY-UHFFFAOYSA-N -1 3 416.372 4.173 20 0 HIADHM CCc1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)s1 ZINC000464087797 877240803 /nfs/dbraw/zinc/24/08/03/877240803.db2.gz MKNPTLOOSRMGLT-UHFFFAOYSA-N -1 3 415.540 4.375 20 0 HIADHM CCSCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000464718341 877944870 /nfs/dbraw/zinc/94/48/70/877944870.db2.gz YFBSMPBIQSXZDI-KRWDZBQOSA-N -1 3 420.600 4.366 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1OC ZINC000464841902 878112827 /nfs/dbraw/zinc/11/28/27/878112827.db2.gz YYDPGTITSUTZPM-UHFFFAOYSA-N -1 3 403.422 4.308 20 0 HIADHM O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc(F)cc2n[n-]nc21 ZINC000503356197 912330092 /nfs/dbraw/zinc/33/00/92/912330092.db2.gz QHNGIUVLAJVOFT-UHFFFAOYSA-N -1 3 405.361 4.074 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccncc3Cl)cc2)cc1 ZINC000465053790 878416534 /nfs/dbraw/zinc/41/65/34/878416534.db2.gz ONBDYMOVDTZXSX-UHFFFAOYSA-N -1 3 401.875 4.097 20 0 HIADHM Cc1ccc(SCC(F)(F)F)c([N-]C(=O)c2cc(S(C)(=O)=O)cs2)c1 ZINC000503446910 912468628 /nfs/dbraw/zinc/46/86/28/912468628.db2.gz NAAPOBICMAPNQK-UHFFFAOYSA-N -1 3 409.476 4.367 20 0 HIADHM O=S(=O)([N-]c1cc(F)ccc1Br)c1ccccc1OC(F)(F)F ZINC000466273766 880010627 /nfs/dbraw/zinc/01/06/27/880010627.db2.gz SDTHBUFYEFIFDR-UHFFFAOYSA-N -1 3 414.174 4.288 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@H](c4cccc(Cl)c4)C3)cc2)cc(=O)[n-]1 ZINC000466445246 880222128 /nfs/dbraw/zinc/22/21/28/880222128.db2.gz GFAJANISCBIJSY-FQEVSTJZSA-N -1 3 424.888 4.416 20 0 HIADHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000466865561 880633181 /nfs/dbraw/zinc/63/31/81/880633181.db2.gz CNLZNKNUBLZAPG-UHFFFAOYSA-N -1 3 402.822 4.168 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3ccc(-n4cccn4)cc3)cc2)cc(=O)[n-]1 ZINC000466962800 880750876 /nfs/dbraw/zinc/75/08/76/880750876.db2.gz GAQQNFMLPPQICW-HNNXBMFYSA-N -1 3 414.469 4.226 20 0 HIADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(OCCC(C)C)cc3)cc2C[C@@H]1C ZINC000467074505 880850990 /nfs/dbraw/zinc/85/09/90/880850990.db2.gz LNSPXBBPWCNJBN-INIZCTEOSA-N -1 3 416.543 4.210 20 0 HIADHM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000467081274 880852691 /nfs/dbraw/zinc/85/26/91/880852691.db2.gz YUTJWISCYKKQDS-UHFFFAOYSA-N -1 3 402.516 4.039 20 0 HIADHM COCC[C@@H]1CCCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000467265905 881005057 /nfs/dbraw/zinc/00/50/57/881005057.db2.gz ZYCWRPPWWWJHMR-HNNXBMFYSA-N -1 3 415.534 4.429 20 0 HIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)cc1Cl ZINC000467428204 881221054 /nfs/dbraw/zinc/22/10/54/881221054.db2.gz GWQNSMVKYOQNBH-UHFFFAOYSA-N -1 3 418.906 4.243 20 0 HIADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)c1ccco1 ZINC000469063749 883139289 /nfs/dbraw/zinc/13/92/89/883139289.db2.gz NZUYWACJDQBWQD-MRXNPFEDSA-N -1 3 413.923 4.168 20 0 HIADHM CCC1(CC)CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1 ZINC000469063177 883139304 /nfs/dbraw/zinc/13/93/04/883139304.db2.gz UMHNPFSSDZBKMX-UHFFFAOYSA-N -1 3 411.568 4.281 20 0 HIADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)c1ccco1 ZINC000469063517 883139786 /nfs/dbraw/zinc/13/97/86/883139786.db2.gz NZUYWACJDQBWQD-INIZCTEOSA-N -1 3 413.923 4.168 20 0 HIADHM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469131123 883226225 /nfs/dbraw/zinc/22/62/25/883226225.db2.gz AXMRURMHVIGRHL-UHFFFAOYSA-N -1 3 407.507 4.206 20 0 HIADHM C[C@@H]1CN(Cc2cccc(NC(=O)CCCc3ccc([O-])c(F)c3)c2)C[C@H](C)O1 ZINC000469389615 883541360 /nfs/dbraw/zinc/54/13/60/883541360.db2.gz XYBQJUCIUGXLIS-CALCHBBNSA-N -1 3 400.494 4.102 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000469552770 883811138 /nfs/dbraw/zinc/81/11/38/883811138.db2.gz VVQGSRBZZJHSOL-UHFFFAOYSA-N -1 3 422.504 4.401 20 0 HIADHM C[C@H](c1cccnc1)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469632519 883842029 /nfs/dbraw/zinc/84/20/29/883842029.db2.gz KDZKVPJIVORQRA-SNVBAGLBSA-N -1 3 420.694 4.172 20 0 HIADHM CC(C)C[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000469708287 883881506 /nfs/dbraw/zinc/88/15/06/883881506.db2.gz BYWFZPPZHMKYGY-LLVKDONJSA-N -1 3 411.727 4.452 20 0 HIADHM COc1ccc(-c2csc(NC(=O)c3cc(F)cc4n[n-]nc43)n2)cc1Cl ZINC000503668306 912776177 /nfs/dbraw/zinc/77/61/77/912776177.db2.gz ACFQOSBICVYFRU-UHFFFAOYSA-N -1 3 403.826 4.135 20 0 HIADHM COc1cc(C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)cc(OC)c1[O-] ZINC000470737819 885196360 /nfs/dbraw/zinc/19/63/60/885196360.db2.gz RMPCGUPRSVCBKS-NSHDSACASA-N -1 3 414.285 4.256 20 0 HIADHM Cn1nc(C(F)F)c2cc(C(=O)[N-]c3nnc(/C=C\c4ccco4)s3)sc21 ZINC000471102147 885635511 /nfs/dbraw/zinc/63/55/11/885635511.db2.gz VDBFNADWNLSPHK-PLNGDYQASA-N -1 3 407.427 4.440 20 0 HIADHM CC(C)(C)OC(=O)CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000471234131 885810049 /nfs/dbraw/zinc/81/00/49/885810049.db2.gz HVYNVYGGTKRJCA-UHFFFAOYSA-N -1 3 405.454 4.430 20 0 HIADHM Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471800714 886537684 /nfs/dbraw/zinc/53/76/84/886537684.db2.gz TZDMWAJCJIXENY-UHFFFAOYSA-N -1 3 412.511 4.135 20 0 HIADHM COc1ccc([C@@H](NC(=O)NCc2ncccc2[O-])c2ccccc2Cl)c(C)c1 ZINC000471999238 886823882 /nfs/dbraw/zinc/82/38/82/886823882.db2.gz SFCKBICAQBIUDE-OAQYLSRUSA-N -1 3 411.889 4.346 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472037050 886855714 /nfs/dbraw/zinc/85/57/14/886855714.db2.gz FUWVQDAUGOPYHA-GDBMZVCRSA-N -1 3 407.283 4.429 20 0 HIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000472102354 886893869 /nfs/dbraw/zinc/89/38/69/886893869.db2.gz QVOUVMOLQBBKRP-JXFKEZNVSA-N -1 3 403.475 4.327 20 0 HIADHM O=C(NCc1ncccc1[O-])N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000472185185 886984133 /nfs/dbraw/zinc/98/41/33/886984133.db2.gz BSVVGOPGIASETK-OAHLLOKOSA-N -1 3 408.271 4.029 20 0 HIADHM Cc1nc(C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)oc1-c1ccc(Cl)cc1 ZINC000472356414 887192460 /nfs/dbraw/zinc/19/24/60/887192460.db2.gz QZCYZBBYJQXFPG-UHFFFAOYSA-N -1 3 412.845 4.369 20 0 HIADHM C[C@@H](Oc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1)c1ccccc1 ZINC000472791819 887637846 /nfs/dbraw/zinc/63/78/46/887637846.db2.gz QESTZGOGERXKGM-MRXNPFEDSA-N -1 3 410.495 4.450 20 0 HIADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3C)cc2c1C ZINC000473485437 888207398 /nfs/dbraw/zinc/20/73/98/888207398.db2.gz ZETRYXPDQIEFOE-UHFFFAOYSA-N -1 3 403.456 4.036 20 0 HIADHM C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1ncccc1[O-] ZINC000473638578 888380975 /nfs/dbraw/zinc/38/09/75/888380975.db2.gz MSLHYAVJDYCWKQ-LBPRGKRZSA-N -1 3 403.891 4.034 20 0 HIADHM O=C(NCc1ncccc1[O-])c1ccccc1OCc1ccccc1Br ZINC000473640947 888386581 /nfs/dbraw/zinc/38/65/81/888386581.db2.gz MMTIYIZPZVCOSI-UHFFFAOYSA-N -1 3 413.271 4.059 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000473940072 888817129 /nfs/dbraw/zinc/81/71/29/888817129.db2.gz KJGREDVYIRJXQR-DLBZAZTESA-N -1 3 416.510 4.089 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000473940072 888817139 /nfs/dbraw/zinc/81/71/39/888817139.db2.gz KJGREDVYIRJXQR-DLBZAZTESA-N -1 3 416.510 4.089 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COC3CCC(C)CC3)cc2)cc1 ZINC000474086081 888911819 /nfs/dbraw/zinc/91/18/19/888911819.db2.gz AULSOUXWNPGUPC-UHFFFAOYSA-N -1 3 416.543 4.330 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3nc(C4CCCC4)no3)c2)n1 ZINC000474225430 889065394 /nfs/dbraw/zinc/06/53/94/889065394.db2.gz FTVSDDHLFVAHSV-UHFFFAOYSA-N -1 3 407.474 4.024 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4ccc(F)cc4)on3)c2)n1 ZINC000474226395 889067085 /nfs/dbraw/zinc/06/70/85/889067085.db2.gz KLKKUJKEYFQPLM-UHFFFAOYSA-N -1 3 404.401 4.458 20 0 HIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1 ZINC000474298144 889161745 /nfs/dbraw/zinc/16/17/45/889161745.db2.gz QXKFSJLQAYKTCC-UHFFFAOYSA-N -1 3 405.483 4.019 20 0 HIADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000474392755 889261928 /nfs/dbraw/zinc/26/19/28/889261928.db2.gz OCQZETOCBPOHPJ-UHFFFAOYSA-N -1 3 403.353 4.078 20 0 HIADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cc2cccc(F)c2o1 ZINC000474394482 889264557 /nfs/dbraw/zinc/26/45/57/889264557.db2.gz KAFQKHZZBOPVPH-JTQLQIEISA-N -1 3 411.838 4.051 20 0 HIADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc3sc(N4CCCC4)nc3s2)c1 ZINC000474419622 889283535 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HIADHM O=C(COc1ccccc1OCC(F)(F)F)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476128788 891051678 /nfs/dbraw/zinc/05/16/78/891051678.db2.gz BDSZHZIPDSKIDG-UHFFFAOYSA-N -1 3 409.282 4.370 20 0 HIADHM Cc1sc2nc(CCC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)[nH]c(=O)c2c1C ZINC000476181507 891112847 /nfs/dbraw/zinc/11/28/47/891112847.db2.gz YYMUEJCADDGVLT-UHFFFAOYSA-N -1 3 411.405 4.309 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3(C)C)ccc2C)cc1 ZINC000476396490 891314035 /nfs/dbraw/zinc/31/40/35/891314035.db2.gz ZPHKWHSHYUNNPZ-UHFFFAOYSA-N -1 3 416.543 4.209 20 0 HIADHM CC(C)c1cccc(O[C@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)c2ccccc2)c1 ZINC000476965876 891895587 /nfs/dbraw/zinc/89/55/87/891895587.db2.gz HVGSYJJUOWQHBD-QFIPXVFZSA-N -1 3 403.482 4.011 20 0 HIADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccccc2-c2ccccc2)no1 ZINC000477129187 892057836 /nfs/dbraw/zinc/05/78/36/892057836.db2.gz UUYNICGCKWXFNN-UHFFFAOYSA-N -1 3 405.479 4.191 20 0 HIADHM O=S(=O)([N-]Cc1csc(-c2ccco2)n1)c1cc(C(F)(F)F)ccc1F ZINC000477152887 892075768 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4.182 20 0 HIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)c1F ZINC000478086029 893250394 /nfs/dbraw/zinc/25/03/94/893250394.db2.gz XPMVILNWUBXMPQ-UHFFFAOYSA-N -1 3 414.412 4.016 20 0 HIADHM CCN(CC1CCC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000478308631 893531102 /nfs/dbraw/zinc/53/11/02/893531102.db2.gz RRLHEHNUTWXKPU-UHFFFAOYSA-N -1 3 404.507 4.197 20 0 HIADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C(N)=O)c2)cc1 ZINC000478695315 893954594 /nfs/dbraw/zinc/95/45/94/893954594.db2.gz KVNUBUNCWAMESF-UHFFFAOYSA-N -1 3 404.532 4.061 20 0 HIADHM CC(C)c1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1Cl ZINC000478742332 894018212 /nfs/dbraw/zinc/01/82/12/894018212.db2.gz CZQRQMNFJMULAR-UHFFFAOYSA-N -1 3 407.865 4.082 20 0 HIADHM CC(C)c1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1Cl ZINC000478742332 894018232 /nfs/dbraw/zinc/01/82/32/894018232.db2.gz CZQRQMNFJMULAR-UHFFFAOYSA-N -1 3 407.865 4.082 20 0 HIADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c(F)c1F ZINC000479144472 894415406 /nfs/dbraw/zinc/41/54/06/894415406.db2.gz PADAWTIHJYGQBS-UHFFFAOYSA-N -1 3 401.337 4.301 20 0 HIADHM CCc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c1 ZINC000479254750 894521107 /nfs/dbraw/zinc/52/11/07/894521107.db2.gz NKMNRNVLVZFJIP-SFHVURJKSA-N -1 3 408.267 4.070 20 0 HIADHM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1 ZINC000505274706 913932302 /nfs/dbraw/zinc/93/23/02/913932302.db2.gz OURLKFXGZVQASC-UHFFFAOYSA-N -1 3 415.240 4.389 20 0 HIADHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)CCO1 ZINC000479968605 895322372 /nfs/dbraw/zinc/32/23/72/895322372.db2.gz PQMNDUXTQHRLCW-GXTWGEPZSA-N -1 3 410.399 4.081 20 0 HIADHM COc1cncc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCC(F)(F)F)n1 ZINC000479992128 895345743 /nfs/dbraw/zinc/34/57/43/895345743.db2.gz QJAVNLBKGQHLBM-UHFFFAOYSA-N -1 3 411.327 4.411 20 0 HIADHM c1nc2nc(=N[C@H]3CSc4ccccc43)cc(N[C@H]3CSc4ccccc43)n2[n-]1 ZINC000480011923 895361727 /nfs/dbraw/zinc/36/17/27/895361727.db2.gz BBXLIXWWLBOHMX-HOTGVXAUSA-N -1 3 418.551 4.064 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](c4cc(C)ccc4C)OC[C@@H]3C)nc2)n1 ZINC000480070057 895420416 /nfs/dbraw/zinc/42/04/16/895420416.db2.gz HIHXMPOWEWURFK-LAUBAEHRSA-N -1 3 404.514 4.390 20 0 HIADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1cc(Br)ccc1F ZINC000480134490 895512310 /nfs/dbraw/zinc/51/23/10/895512310.db2.gz QTMCWCQFKSMZOB-UHFFFAOYSA-N -1 3 400.056 4.091 20 0 HIADHM Cc1ccc(C(=O)N2CC[C@H](C)[C@H]2C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000480144060 895525914 /nfs/dbraw/zinc/52/59/14/895525914.db2.gz QAIIFSGTXWFPTK-GXTWGEPZSA-N -1 3 424.925 4.459 20 0 HIADHM Cc1c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cnn1-c1ccc(Cl)cc1 ZINC000480202837 895602404 /nfs/dbraw/zinc/60/24/04/895602404.db2.gz QOHVTDHWERFSKS-UHFFFAOYSA-N -1 3 417.705 4.337 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@H](c4ccccc4)C3)nc(=O)c2c1C ZINC000480204941 895605290 /nfs/dbraw/zinc/60/52/90/895605290.db2.gz VCJUJVSFFGYNMU-ZBFHGGJFSA-N -1 3 411.527 4.020 20 0 HIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCC4)cc2)cc1 ZINC000480224399 895630070 /nfs/dbraw/zinc/63/00/70/895630070.db2.gz YVYVGIZRQYLSFE-MRXNPFEDSA-N -1 3 410.543 4.129 20 0 HIADHM FC(F)(F)c1n[n-]c(CNc2ccc3c(Br)ccc(Cl)c3n2)n1 ZINC000480325585 895727351 /nfs/dbraw/zinc/72/73/51/895727351.db2.gz KIRXJQFSSLMILR-UHFFFAOYSA-N -1 3 406.593 4.400 20 0 HIADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480422597 895818499 /nfs/dbraw/zinc/81/84/99/895818499.db2.gz XPFPMAPDUSEFCJ-AZUAARDMSA-N -1 3 412.288 4.278 20 0 HIADHM C[C@H](Oc1ccccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000480590904 895952208 /nfs/dbraw/zinc/95/22/08/895952208.db2.gz RDPCWWKCRPAKHE-LBPRGKRZSA-N -1 3 405.380 4.285 20 0 HIADHM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000481008463 896340365 /nfs/dbraw/zinc/34/03/65/896340365.db2.gz OMTCJQZLIXVBPU-MOPGFXCFSA-N -1 3 422.547 4.031 20 0 HIADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1nc(C(F)(F)F)cs1 ZINC000481020423 896349496 /nfs/dbraw/zinc/34/94/96/896349496.db2.gz QGFFAKFCWMUNBY-MRVPVSSYSA-N -1 3 419.372 4.005 20 0 HIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000481087314 896408149 /nfs/dbraw/zinc/40/81/49/896408149.db2.gz FFJXLPYEWSZNAN-HOTGVXAUSA-N -1 3 402.376 4.145 20 0 HIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000481087314 896408156 /nfs/dbraw/zinc/40/81/56/896408156.db2.gz FFJXLPYEWSZNAN-HOTGVXAUSA-N -1 3 402.376 4.145 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000505414363 914078713 /nfs/dbraw/zinc/07/87/13/914078713.db2.gz JYWAHEYRTWPPRT-UHFFFAOYSA-N -1 3 418.541 4.148 20 0 HIADHM COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000505462198 914132888 /nfs/dbraw/zinc/13/28/88/914132888.db2.gz WAOSEYGSLRIVIF-UHFFFAOYSA-N -1 3 421.482 4.017 20 0 HIADHM CC(C)c1cccc(O[C@@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccccc2)c1 ZINC000481933618 897317731 /nfs/dbraw/zinc/31/77/31/897317731.db2.gz 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CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@H](C(C)(C)C)C3)nc(=O)c2c1C ZINC000483270826 898909157 /nfs/dbraw/zinc/90/91/57/898909157.db2.gz NPIBCLJAMDCHGQ-KGLIPLIRSA-N -1 3 405.564 4.289 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000483361991 898999412 /nfs/dbraw/zinc/99/94/12/898999412.db2.gz WQUQRDUKJIUIIR-UHFFFAOYSA-N -1 3 421.682 4.316 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CC[C@H](c2ccccc2F)C1 ZINC000483385746 899022071 /nfs/dbraw/zinc/02/20/71/899022071.db2.gz UAMPIAWQFPWTTN-KBPBESRZSA-N -1 3 407.283 4.429 20 0 HIADHM O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1cc([O-])ccc1Cl ZINC000484913488 900291420 /nfs/dbraw/zinc/29/14/20/900291420.db2.gz BFOIUOOGTVQHPU-INIZCTEOSA-N -1 3 405.882 4.260 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)C3CCCC3)c2)cc1 ZINC000505757745 914429228 /nfs/dbraw/zinc/42/92/28/914429228.db2.gz JEEMEDFFGZRPCA-MRXNPFEDSA-N -1 3 416.543 4.113 20 0 HIADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc2cc(Br)ccc2o1 ZINC000484974934 900332860 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3 400.953 4.405 20 0 HIADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1cc(F)c(Cl)cc1F ZINC000491792002 904696524 /nfs/dbraw/zinc/69/65/24/904696524.db2.gz ADYKJTYNTQVIGJ-UHFFFAOYSA-N -1 3 413.609 4.418 20 0 HIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000493252473 905068879 /nfs/dbraw/zinc/06/88/79/905068879.db2.gz IGJJYHZIHRALDS-UHFFFAOYSA-N -1 3 401.142 4.098 20 0 HIADHM O=S(=O)([N-]Cc1nccc2ccccc21)c1cccc(Cl)c1Br ZINC000493474867 905132556 /nfs/dbraw/zinc/13/25/56/905132556.db2.gz WBCAOPONOSBHQG-UHFFFAOYSA-N -1 3 411.708 4.129 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)c1 ZINC000512474715 921185052 /nfs/dbraw/zinc/18/50/52/921185052.db2.gz PJHXVUSWLWWSGW-OAQYLSRUSA-N -1 3 402.450 4.271 20 0 HIADHM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000512561497 921237247 /nfs/dbraw/zinc/23/72/47/921237247.db2.gz XEKNDWNWLIXHDC-UHFFFAOYSA-N -1 3 411.824 4.404 20 0 HIADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc(-c4ccccc4)c3)CC2)n[n-]1 ZINC000495589868 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HIADHM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000028781504 847460293 /nfs/dbraw/zinc/46/02/93/847460293.db2.gz BVQGZJHODULKJZ-UHFFFAOYSA-N -1 3 413.451 4.060 20 0 HIADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000029284536 847539185 /nfs/dbraw/zinc/53/91/85/847539185.db2.gz ALIFORUFTXECQQ-UHFFFAOYSA-N -1 3 419.791 4.155 20 0 HIADHM Cc1ccc(Oc2ccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)cc2)cc1 ZINC000436483595 861819781 /nfs/dbraw/zinc/81/97/81/861819781.db2.gz FRPRHIQGLPKOBK-UHFFFAOYSA-N -1 3 405.454 4.044 20 0 HIADHM COc1ccc2c(c1)CN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](c1ccccc1)C2 ZINC000436521100 861832716 /nfs/dbraw/zinc/83/27/16/861832716.db2.gz BTCWQXGUPLZOKO-OAQYLSRUSA-N -1 3 419.477 4.358 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC/C=C/c1ccccc1 ZINC000436525873 861835022 /nfs/dbraw/zinc/83/50/22/861835022.db2.gz PGFNQFXOISYFHT-KXOMFBTKSA-N -1 3 400.478 4.083 20 0 HIADHM CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)[C@@H](C)c1cccnc1 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O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H](OCc2ccncc2)C1 ZINC000436555083 861849860 /nfs/dbraw/zinc/84/98/60/861849860.db2.gz MKLQYSVGVWNWSQ-JOCHJYFZSA-N -1 3 402.494 4.004 20 0 HIADHM Cc1c(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cccc1N(C)C ZINC000436560788 861851482 /nfs/dbraw/zinc/85/14/82/861851482.db2.gz CXTBUUYSOLIEHX-JOCHJYFZSA-N -1 3 417.509 4.267 20 0 HIADHM Cc1n[nH]c2cc(NC(=O)C[C@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)ccc12 ZINC000436560124 861851720 /nfs/dbraw/zinc/85/17/20/861851720.db2.gz DKSSLYZMFUJCMS-NRFANRHFSA-N -1 3 414.465 4.077 20 0 HIADHM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2N1 ZINC000032097794 847986986 /nfs/dbraw/zinc/98/69/86/847986986.db2.gz OJSPCLGHMDYSIQ-UHFFFAOYSA-N -1 3 422.787 4.183 20 0 HIADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000436564010 861853172 /nfs/dbraw/zinc/85/31/72/861853172.db2.gz OINUEWWZJCOGPT-KRWDZBQOSA-N -1 3 409.417 4.018 20 0 HIADHM CCN(C(=O)c1cc2c(cc1[O-])OCO2)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 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MLFTWAFWIXQXNW-HSZRJFAPSA-N -1 3 400.478 4.104 20 0 HIADHM CO[C@H](C)c1nc(CN2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cs1 ZINC000436586559 861860275 /nfs/dbraw/zinc/86/02/75/861860275.db2.gz MXOAZGBVVRGSML-MRXNPFEDSA-N -1 3 417.575 4.028 20 0 HIADHM C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3[O-])CC2)C[C@H](C)O1 ZINC000436586311 861860681 /nfs/dbraw/zinc/86/06/81/861860681.db2.gz SSAHFSXZBAFUAY-OKILXGFUSA-N -1 3 415.361 4.051 20 0 HIADHM COc1cc(N(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])cc(OC)c1OC ZINC000436592704 861862414 /nfs/dbraw/zinc/86/24/14/861862414.db2.gz XYPGTCZPHZZMKH-UHFFFAOYSA-N -1 3 409.438 4.487 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000436595370 861863471 /nfs/dbraw/zinc/86/34/71/861863471.db2.gz IJMFXDGQVBTZRO-JTHBVZDNSA-N -1 3 404.510 4.045 20 0 HIADHM CC(C)(C)N1C[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1=O ZINC000436599480 861864185 /nfs/dbraw/zinc/86/41/85/861864185.db2.gz BHKUXHYRXKVXNK-CYBMUJFWSA-N -1 3 409.511 4.254 20 0 HIADHM COc1cccc([C@@H]2CN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CCO2)c1 ZINC000436599057 861864308 /nfs/dbraw/zinc/86/43/08/861864308.db2.gz WMAOCJADIKWZHN-QHCPKHFHSA-N -1 3 405.450 4.407 20 0 HIADHM CCOc1ccc(CCC2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)cc1 ZINC000032919330 848092314 /nfs/dbraw/zinc/09/23/14/848092314.db2.gz UIGNSBVSAZREHI-UHFFFAOYSA-N -1 3 404.510 4.412 20 0 HIADHM COC(=O)c1cccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1 ZINC000436603770 861865642 /nfs/dbraw/zinc/86/56/42/861865642.db2.gz IDAYCIVAMUSWMI-UHFFFAOYSA-N -1 3 405.435 4.103 20 0 HIADHM Cc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000436606683 861867772 /nfs/dbraw/zinc/86/77/72/861867772.db2.gz MLBDZOIXFRKLBM-UHFFFAOYSA-N -1 3 405.901 4.276 20 0 HIADHM CCc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])n2)cc1 ZINC000436608473 861868435 /nfs/dbraw/zinc/86/84/35/861868435.db2.gz QLGWYAXPZYHPEJ-IBGZPJMESA-N -1 3 421.522 4.321 20 0 HIADHM Cc1nc(=O)[nH]c(C)c1CCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436609661 861868621 /nfs/dbraw/zinc/86/86/21/861868621.db2.gz RYYIAFHRKWEPPN-UHFFFAOYSA-N -1 3 420.494 4.353 20 0 HIADHM COc1cc(NC(C)=O)ccc1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436611941 861869318 /nfs/dbraw/zinc/86/93/18/861869318.db2.gz ZSAMEITZMASGEU-UHFFFAOYSA-N -1 3 404.466 4.397 20 0 HIADHM O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436611968 861869515 /nfs/dbraw/zinc/86/95/15/861869515.db2.gz WXCWIWBNEBAZJD-NRFANRHFSA-N -1 3 402.450 4.428 20 0 HIADHM CCOc1cccc2cc([C@@H](C)NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])oc21 ZINC000436612065 861869635 /nfs/dbraw/zinc/86/96/35/861869635.db2.gz ZIOHWVRCWBTKNR-QAPCUYQASA-N -1 3 422.481 4.019 20 0 HIADHM CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccc(OC)c1 ZINC000436615044 861870794 /nfs/dbraw/zinc/87/07/94/861870794.db2.gz CQAFMOWSCGZAFG-HSZRJFAPSA-N -1 3 418.493 4.315 20 0 HIADHM C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)C1 ZINC000436616410 861870855 /nfs/dbraw/zinc/87/08/55/861870855.db2.gz JUOVFZFFNBLJID-IBGZPJMESA-N -1 3 420.553 4.094 20 0 HIADHM CC(C)Cc1ccc(CCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436639924 861878471 /nfs/dbraw/zinc/87/84/71/861878471.db2.gz GJKCZKVHEYVCBJ-UHFFFAOYSA-N -1 3 422.569 4.334 20 0 HIADHM CCc1cc2c(CSc3nnc(C4CC4)n3Cc3ccco3)cc(=O)oc2cc1[O-] ZINC000036819048 848165697 /nfs/dbraw/zinc/16/56/97/848165697.db2.gz UDLNQTPCZKLEAM-UHFFFAOYSA-N -1 3 423.494 4.464 20 0 HIADHM CCOc1ccccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436622412 861873502 /nfs/dbraw/zinc/87/35/02/861873502.db2.gz GIJDTIHVOIFWDP-NRFANRHFSA-N -1 3 404.466 4.291 20 0 HIADHM CN(C(=O)[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1)c1ccccc1 ZINC000436626385 861874319 /nfs/dbraw/zinc/87/43/19/861874319.db2.gz HLZQXGYGDHXHDK-NRFANRHFSA-N -1 3 414.505 4.108 20 0 HIADHM CCN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1OC ZINC000436626709 861874536 /nfs/dbraw/zinc/87/45/36/861874536.db2.gz QLGXNLINRVWABX-NRFANRHFSA-N -1 3 418.493 4.315 20 0 HIADHM C[C@H](c1cccc(O)c1)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436631011 861874893 /nfs/dbraw/zinc/87/48/93/861874893.db2.gz RONACEBNJIZWNR-UZUQRXQVSA-N -1 3 418.493 4.179 20 0 HIADHM O=C(c1ccc(O)cc1[O-])N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000436629696 861874914 /nfs/dbraw/zinc/87/49/14/861874914.db2.gz JXUHVLFYWWQCOP-UHFFFAOYSA-N -1 3 402.372 4.354 20 0 HIADHM CC(C)N(C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000041099977 848201696 /nfs/dbraw/zinc/20/16/96/848201696.db2.gz BMQNDJIQOBNXCS-UHFFFAOYSA-N -1 3 419.510 4.055 20 0 HIADHM CCN(Cc1cccs1)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436637185 861877876 /nfs/dbraw/zinc/87/78/76/861877876.db2.gz ZMJHPALKOFXCDH-UHFFFAOYSA-N -1 3 415.540 4.062 20 0 HIADHM CCC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000041475870 848218352 /nfs/dbraw/zinc/21/83/52/848218352.db2.gz YWOJVDCWIWAGLE-MRXNPFEDSA-N -1 3 404.532 4.065 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c1 ZINC000436668978 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C[C@H](CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccccc1 ZINC000043306253 848406636 /nfs/dbraw/zinc/40/66/36/848406636.db2.gz MGEJSKBLOKIQOY-OAHLLOKOSA-N -1 3 415.921 4.209 20 0 HIADHM CC1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000436730608 861916643 /nfs/dbraw/zinc/91/66/43/861916643.db2.gz HHJMPTSMWBTTJD-FSSWDIPSSA-N -1 3 406.526 4.291 20 0 HIADHM O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436726628 861911103 /nfs/dbraw/zinc/91/11/03/861911103.db2.gz WIPCGMUSBKGYLS-XLIONFOSSA-N -1 3 421.453 4.095 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)Nc3ccc(OC(F)F)cc3)c2)n1 ZINC000044197315 848528104 /nfs/dbraw/zinc/52/81/04/848528104.db2.gz FVEJHUJSDZECHA-UHFFFAOYSA-N -1 3 416.453 4.410 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c1 ZINC000436729806 861913823 /nfs/dbraw/zinc/91/38/23/861913823.db2.gz SZOWVIKTFFLXEA-AWEZNQCLSA-N -1 3 423.469 4.219 20 0 HIADHM 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CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCc3c[nH]c4ccccc34)c2)n1 ZINC000049302090 849301559 /nfs/dbraw/zinc/30/15/59/849301559.db2.gz UCQRLFBHEZRJED-UHFFFAOYSA-N -1 3 400.482 4.442 20 0 HIADHM COc1cc2c(cc1NC(=O)c1cc(Oc3ccccc3)ccc1[O-])NC(=O)CC2 ZINC000436818679 862002598 /nfs/dbraw/zinc/00/25/98/862002598.db2.gz LPSSRDFZHZXUCT-UHFFFAOYSA-N -1 3 404.422 4.330 20 0 HIADHM Cc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1N1CCNC1=O ZINC000436818838 862003613 /nfs/dbraw/zinc/00/36/13/862003613.db2.gz CAMIGMHKCFJBIV-UHFFFAOYSA-N -1 3 401.466 4.073 20 0 HIADHM CCc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c([O-])c1 ZINC000436839908 862017421 /nfs/dbraw/zinc/01/74/21/862017421.db2.gz QYBNZYJUYFHMQW-UHFFFAOYSA-N -1 3 420.431 4.008 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)(C)C)cc2)c(C)c1 ZINC000052025164 849542704 /nfs/dbraw/zinc/54/27/04/849542704.db2.gz YGRUIKAYVUATOB-UHFFFAOYSA-N -1 3 409.573 4.126 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000436862910 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403.482 4.220 20 0 HIADHM O=C(COC(=O)C1(c2cccc(Cl)c2)CCCCC1)[N-]C(=O)c1cccs1 ZINC000105787571 852729731 /nfs/dbraw/zinc/72/97/31/852729731.db2.gz BHEMYPHOGXYDJK-UHFFFAOYSA-N -1 3 405.903 4.103 20 0 HIADHM Cc1ccc(-c2cc(CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)on2)cc1 ZINC000106192949 852760599 /nfs/dbraw/zinc/76/05/99/852760599.db2.gz RSLAAWFLOPXPPM-UHFFFAOYSA-N -1 3 415.478 4.365 20 0 HIADHM CCCOc1ccc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1OCC ZINC000107751387 852793089 /nfs/dbraw/zinc/79/30/89/852793089.db2.gz WNVLHSVVVCCHPG-UHFFFAOYSA-N -1 3 421.497 4.439 20 0 HIADHM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1c[n-]c2ccccc2c1=O ZINC000109667487 852996580 /nfs/dbraw/zinc/99/65/80/852996580.db2.gz YPWFTPNYDCYVGX-UHFFFAOYSA-N -1 3 404.470 4.188 20 0 HIADHM O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110080516 853058184 /nfs/dbraw/zinc/05/81/84/853058184.db2.gz AMWFAIFELNJBOX-UHFFFAOYSA-N -1 3 400.478 4.471 20 0 HIADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cnn2c1nccc2-c1ccccc1 ZINC000110886626 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HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C(=O)c4ccc(F)cc4)CC3)nc2)n1 ZINC000302826458 854646424 /nfs/dbraw/zinc/64/64/24/854646424.db2.gz AOFUBBCJASMVEH-UHFFFAOYSA-N -1 3 406.461 4.045 20 0 HIADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000302926072 854683096 /nfs/dbraw/zinc/68/30/96/854683096.db2.gz ALGGQQLIDHNZBI-HNNXBMFYSA-N -1 3 407.750 4.228 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(OCC(F)(F)F)n3)c2)n1 ZINC000303752974 855173552 /nfs/dbraw/zinc/17/35/52/855173552.db2.gz CFJVPUWTCWJRDM-UHFFFAOYSA-N -1 3 418.375 4.000 20 0 HIADHM CCc1nc(C)c([C@H](C)N(C)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)s1 ZINC000303935350 855302100 /nfs/dbraw/zinc/30/21/00/855302100.db2.gz RMGCHXHNDUZYKJ-NSHDSACASA-N -1 3 420.560 4.012 20 0 HIADHM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1cncc(Br)c1 ZINC000315212727 855378152 /nfs/dbraw/zinc/37/81/52/855378152.db2.gz SMFQOOPIWWBMKP-UHFFFAOYSA-N -1 3 415.618 4.317 20 0 HIADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Br)c1ccc(Cl)nc1 ZINC000318243585 855383101 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856738093 /nfs/dbraw/zinc/73/80/93/856738093.db2.gz ITDSLXNWYHAGOV-KRWDZBQOSA-N -1 3 419.506 4.367 20 0 HIADHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c(Cl)c1 ZINC000427471953 856834869 /nfs/dbraw/zinc/83/48/69/856834869.db2.gz CNELEWXTIPRQSZ-UHFFFAOYSA-N -1 3 406.813 4.291 20 0 HIADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000427773805 856948614 /nfs/dbraw/zinc/94/86/14/856948614.db2.gz MSTMJQOMQAMSLY-UHFFFAOYSA-N -1 3 409.678 4.019 20 0 HIADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccccc1Br)c1ccco1 ZINC000427801605 856961567 /nfs/dbraw/zinc/96/15/67/856961567.db2.gz BRKHURMSTWDWCJ-GOSISDBHSA-N -1 3 422.300 4.119 20 0 HIADHM CC(C)n1ncc2cc(S(=O)(=O)[N-][C@H](c3ccc(F)cc3)C(F)(F)F)ccc21 ZINC000427839470 856976454 /nfs/dbraw/zinc/97/64/54/856976454.db2.gz UTQFMDALQRCBNT-QGZVFWFLSA-N -1 3 415.412 4.338 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCS[C@@H](C)CC3)c2)cc1 ZINC000427925070 857010083 /nfs/dbraw/zinc/01/00/83/857010083.db2.gz SJNQGTVTDKZGAD-KRWDZBQOSA-N -1 3 418.584 4.072 20 0 HIADHM Cn1c2cc([O-])c(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)cc2n(C)c1=O ZINC000427988333 857034103 /nfs/dbraw/zinc/03/41/03/857034103.db2.gz DLOAHKNTHRNEGE-UHFFFAOYSA-N -1 3 413.905 4.077 20 0 HIADHM CCOc1cc(Br)c(F)cc1[N-]C(=O)c1noc(-c2ccccc2)n1 ZINC000428004912 857038522 /nfs/dbraw/zinc/03/85/22/857038522.db2.gz IPNNWROYKFLLHM-UHFFFAOYSA-N -1 3 406.211 4.289 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000428183224 857102422 /nfs/dbraw/zinc/10/24/22/857102422.db2.gz GQUXVAVJHVIDJX-GFCCVEGCSA-N -1 3 422.348 4.127 20 0 HIADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)C2CC2)n1 ZINC000428417767 857197700 /nfs/dbraw/zinc/19/77/00/857197700.db2.gz JOPAOBBNOZWYLG-CYBMUJFWSA-N -1 3 421.769 4.297 20 0 HIADHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000428869618 857379280 /nfs/dbraw/zinc/37/92/80/857379280.db2.gz VQVRCMRDOCJNGJ-UHFFFAOYSA-N -1 3 424.364 4.203 20 0 HIADHM O=c1[n-]c(CN(CCc2ccccn2)Cc2cccnc2)nc2c3ccccc3oc21 ZINC000430334732 858125362 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C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000431073635 858435484 /nfs/dbraw/zinc/43/54/84/858435484.db2.gz ZHFABEZLWRRRPJ-VIFPVBQESA-N -1 3 417.375 4.030 20 0 HIADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1Cl ZINC000431179040 858489583 /nfs/dbraw/zinc/48/95/83/858489583.db2.gz LDZRKIZXMQVZNZ-UHFFFAOYSA-N -1 3 424.689 4.243 20 0 HIADHM COc1ccccc1[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1ccco1 ZINC000431287749 858548262 /nfs/dbraw/zinc/54/82/62/858548262.db2.gz OGCICKDQWCXYON-IBGZPJMESA-N -1 3 409.866 4.290 20 0 HIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000431369079 858582554 /nfs/dbraw/zinc/58/25/54/858582554.db2.gz LWRAANXQZNVTDN-UHFFFAOYSA-N -1 3 419.506 4.313 20 0 HIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Br)sc2C)c1 ZINC000432048532 858949761 /nfs/dbraw/zinc/94/97/61/858949761.db2.gz KOYCIVWBSVGMIR-UHFFFAOYSA-N -1 3 408.726 4.476 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@@H](c3ccccc3)C(F)(F)F)nc2)n1 ZINC000432149687 859016814 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4.710 20 0 HIADHM Cc1c(Br)ccc([N-]S(=O)(=O)c2ccccc2Br)c1F ZINC000432641139 859267109 /nfs/dbraw/zinc/26/71/09/859267109.db2.gz CVZHJRRJXCCQOP-UHFFFAOYSA-N -1 3 423.101 4.460 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)cc1Cl ZINC000432769172 859349019 /nfs/dbraw/zinc/34/90/19/859349019.db2.gz QVFOKKALTXHSJL-UHFFFAOYSA-N -1 3 419.890 4.349 20 0 HIADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)cccc21 ZINC000433130914 859532854 /nfs/dbraw/zinc/53/28/54/859532854.db2.gz ITORDEXHKAAJKY-KRWDZBQOSA-N -1 3 415.342 4.321 20 0 HIADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccccc2NC(C)(C)C)cc1 ZINC000467656086 881450985 /nfs/dbraw/zinc/45/09/85/881450985.db2.gz QQBCCCMGULYXGE-UHFFFAOYSA-N -1 3 419.547 4.065 20 0 HIADHM COc1ccccc1[C@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433642284 859821160 /nfs/dbraw/zinc/82/11/60/859821160.db2.gz NTBOBQYTKXOOQD-QMMMGPOBSA-N -1 3 410.742 4.212 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)sc1Br ZINC000433821524 859913003 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HIADHM Cn1c(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)nc2cc(Cl)ccc21 ZINC000435421158 860794977 /nfs/dbraw/zinc/79/49/77/860794977.db2.gz IBEIEVDZJUQNKA-UHFFFAOYSA-N -1 3 422.696 4.151 20 0 HIADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435583724 860897007 /nfs/dbraw/zinc/89/70/07/860897007.db2.gz HVTYKKTZKOKHCA-CTYIDZIISA-N -1 3 419.499 4.052 20 0 HIADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1OC(F)F)c1c(Cl)cccc1Cl ZINC000435608103 860911242 /nfs/dbraw/zinc/91/12/42/860911242.db2.gz SQKPEIWJZJSJHT-MFKMUULPSA-N -1 3 408.253 4.429 20 0 HIADHM CCCCc1nnc([N-]C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)s1 ZINC000435665594 860943368 /nfs/dbraw/zinc/94/33/68/860943368.db2.gz WLBRVWVELXLFBJ-UHFFFAOYSA-N -1 3 404.517 4.274 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)cc2)cc(=O)[n-]1 ZINC000435745556 861026244 /nfs/dbraw/zinc/02/62/44/861026244.db2.gz NTOSOEWPBYJYKS-KBXCAEBGSA-N -1 3 414.387 4.253 20 0 HIADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000435881058 861139607 /nfs/dbraw/zinc/13/96/07/861139607.db2.gz NMWDZFPAYSROMJ-UHFFFAOYSA-N -1 3 415.331 4.278 20 0 HIADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000435881058 861139610 /nfs/dbraw/zinc/13/96/10/861139610.db2.gz NMWDZFPAYSROMJ-UHFFFAOYSA-N -1 3 415.331 4.278 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccc(OC(C)(C)C)cc2)cc1OC ZINC000437842187 863198658 /nfs/dbraw/zinc/19/86/58/863198658.db2.gz XSVLFOXLRWTBDN-UHFFFAOYSA-N -1 3 421.519 4.278 20 0 HIADHM CCc1ncsc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000438235715 863682097 /nfs/dbraw/zinc/68/20/97/863682097.db2.gz OCQSUPMTAAYQQI-UHFFFAOYSA-N -1 3 419.503 4.206 20 0 HIADHM CC1(C)CCCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000438502256 863923216 /nfs/dbraw/zinc/92/32/16/863923216.db2.gz OGHFXRKBIVWMPZ-UHFFFAOYSA-N -1 3 404.507 4.279 20 0 HIADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1 ZINC000438773027 864267576 /nfs/dbraw/zinc/26/75/76/864267576.db2.gz RKCOVWVODAQBNC-UHFFFAOYSA-N -1 3 400.269 4.228 20 0 HIADHM COC(=O)c1cc(C(=O)[N-]c2ncc(Cc3cccc(Cl)c3Cl)s2)no1 ZINC000438779824 864274860 /nfs/dbraw/zinc/27/48/60/864274860.db2.gz POTBVEGEKNRZSO-UHFFFAOYSA-N -1 3 412.254 4.068 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)ccc1OC(C)C ZINC000438985273 864446883 /nfs/dbraw/zinc/44/68/83/864446883.db2.gz MZPCDKVUVAPQIN-UHFFFAOYSA-N -1 3 410.486 4.164 20 0 HIADHM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000439052953 864505376 /nfs/dbraw/zinc/50/53/76/864505376.db2.gz DYCFYXUWBPFNJY-QGZVFWFLSA-N -1 3 418.493 4.403 20 0 HIADHM Cc1nc(C)c(CC(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cn2)c(=O)[n-]1 ZINC000440309828 865575196 /nfs/dbraw/zinc/57/51/96/865575196.db2.gz ZOSQSNREADOHMR-UHFFFAOYSA-N -1 3 402.376 4.061 20 0 HIADHM CCSc1cccc(NC(=O)C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c1 ZINC000440354872 865633554 /nfs/dbraw/zinc/63/35/54/865633554.db2.gz LFFNIARTOHNRJB-UHFFFAOYSA-N -1 3 422.510 4.101 20 0 HIADHM O=C(CCNC(=O)c1ccsc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440939927 866038057 /nfs/dbraw/zinc/03/80/57/866038057.db2.gz MNSUUPLNKMVQDF-UHFFFAOYSA-N -1 3 423.519 4.489 20 0 HIADHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN(C)CCC3CC3)nc(=O)c12 ZINC000441228802 866304031 /nfs/dbraw/zinc/30/40/31/866304031.db2.gz IAQLGGHCKFHAFS-UHFFFAOYSA-N -1 3 424.570 4.394 20 0 HIADHM Cc1cc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc(C)c1Cl ZINC000442466792 867450579 /nfs/dbraw/zinc/45/05/79/867450579.db2.gz BVRLYAKHUMMFJM-UHFFFAOYSA-N -1 3 401.894 4.089 20 0 HIADHM C[C@H](SCc1ncnn1CCF)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000442554389 867528160 /nfs/dbraw/zinc/52/81/60/867528160.db2.gz IKOVLIILDDRSEX-JTQLQIEISA-N -1 3 405.480 4.212 20 0 HIADHM Cc1ccc(C[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c2ccccn2)cc1 ZINC000442743537 867659810 /nfs/dbraw/zinc/65/98/10/867659810.db2.gz FIRDOGWQPSDGLU-SFHVURJKSA-N -1 3 421.444 4.066 20 0 HIADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000442753151 867665460 /nfs/dbraw/zinc/66/54/60/867665460.db2.gz ODKDJQMQUPTTHK-UHFFFAOYSA-N -1 3 413.268 4.099 20 0 HIADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000442753151 867665468 /nfs/dbraw/zinc/66/54/68/867665468.db2.gz ODKDJQMQUPTTHK-UHFFFAOYSA-N -1 3 413.268 4.099 20 0 HIADHM O=S(=O)([N-]Cc1ccccc1OCc1ccccc1)c1cnccc1C(F)(F)F ZINC000442810164 867682667 /nfs/dbraw/zinc/68/26/67/867682667.db2.gz MNGGUUKJLCDISS-UHFFFAOYSA-N -1 3 422.428 4.158 20 0 HIADHM O=S(=O)([N-][C@H]1CCCc2cc(OC(F)F)ccc21)c1cnccc1C(F)(F)F ZINC000442811879 867682746 /nfs/dbraw/zinc/68/27/46/867682746.db2.gz QAGIUABMTRRWML-AWEZNQCLSA-N -1 3 422.375 4.058 20 0 HIADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cc1 ZINC000442834326 867692134 /nfs/dbraw/zinc/69/21/34/867692134.db2.gz JWJXQLDWAAMCBS-UHFFFAOYSA-N -1 3 418.259 4.367 20 0 HIADHM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1cnc2ccsc2c1 ZINC000442832226 867692220 /nfs/dbraw/zinc/69/22/20/867692220.db2.gz ASLLDKZPUWSLBR-UHFFFAOYSA-N -1 3 405.245 4.138 20 0 HIADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000443070651 867809453 /nfs/dbraw/zinc/80/94/53/867809453.db2.gz BEXRCGFRFPZFHG-QMMMGPOBSA-N -1 3 424.252 4.098 20 0 HIADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H](C)c1c(Cl)cccc1Cl ZINC000443075501 867811815 /nfs/dbraw/zinc/81/18/15/867811815.db2.gz ZNATUEXGEFPIQU-JTQLQIEISA-N -1 3 420.289 4.001 20 0 HIADHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc1OC ZINC000443396234 867953652 /nfs/dbraw/zinc/95/36/52/867953652.db2.gz ADXVBFHUHYLZBF-UHFFFAOYSA-N -1 3 408.476 4.076 20 0 HIADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(Br)c(Cl)c1 ZINC000443460793 868050842 /nfs/dbraw/zinc/05/08/42/868050842.db2.gz MUINXOPQBHYUCA-UHFFFAOYSA-N -1 3 400.603 4.321 20 0 HIADHM C[C@H]1CCC[C@H](NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000443561623 868116935 /nfs/dbraw/zinc/11/69/35/868116935.db2.gz DMVQBUCUQUBBHN-YOEHRIQHSA-N -1 3 407.942 4.375 20 0 HIADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)C2CC2)n1 ZINC000443747016 868321099 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4.255 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2cc3ccccc3o2)no1 ZINC000445661300 869727839 /nfs/dbraw/zinc/72/78/39/869727839.db2.gz DKLDFOJMCRXDRZ-LLVKDONJSA-N -1 3 403.847 4.176 20 0 HIADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(-c3cc4ccccc4o3)no2)cc1 ZINC000445660589 869728806 /nfs/dbraw/zinc/72/88/06/869728806.db2.gz TZZMHVFSHIGAMW-UHFFFAOYSA-N -1 3 413.455 4.212 20 0 HIADHM O=S(=O)([N-]C[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)c1ccco1 ZINC000445736935 869792290 /nfs/dbraw/zinc/79/22/90/869792290.db2.gz SXVACCINHXMRBI-KRWDZBQOSA-N -1 3 422.959 4.072 20 0 HIADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(Cc2nncn2-c2ccccc2)no1 ZINC000446005843 869970368 /nfs/dbraw/zinc/97/03/68/869970368.db2.gz ZYSJIBMQIUHTJC-UHFFFAOYSA-N -1 3 409.449 4.205 20 0 HIADHM O=C(CCCc1csc2ccccc12)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000446108213 870055074 /nfs/dbraw/zinc/05/50/74/870055074.db2.gz LONUUVUAFISJFR-UHFFFAOYSA-N -1 3 422.550 4.351 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3ccc(C(C)C)cc3)c2)n1 ZINC000446418856 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O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000461336404 874346313 /nfs/dbraw/zinc/34/63/13/874346313.db2.gz WWIRMAHNRQGFFF-LZLYRXPVSA-N -1 3 416.518 4.325 20 0 HIADHM O=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cc(=O)c2ccccc2[n-]1 ZINC000468728710 882831185 /nfs/dbraw/zinc/83/11/85/882831185.db2.gz JXLVPYZIRNAAEG-INIZCTEOSA-N -1 3 415.518 4.187 20 0 HIADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000461499556 874571254 /nfs/dbraw/zinc/57/12/54/874571254.db2.gz WAHLBLQSURAXFA-QRWLVFNGSA-N -1 3 402.491 4.031 20 0 HIADHM Cc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1Br ZINC000468765373 882850221 /nfs/dbraw/zinc/85/02/21/882850221.db2.gz AYMQSFRXKRERIB-UHFFFAOYSA-N -1 3 410.211 4.457 20 0 HIADHM COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1Oc1ccc(C)nn1 ZINC000468781049 882856894 /nfs/dbraw/zinc/85/68/94/882856894.db2.gz BSESKCGGSANTNC-UHFFFAOYSA-N -1 3 411.433 4.392 20 0 HIADHM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461630478 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O=C(CCCc1ccc([O-])c(F)c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000469419629 883597843 /nfs/dbraw/zinc/59/78/43/883597843.db2.gz GSQYHJJJBNVRML-LJQANCHMSA-N -1 3 411.395 4.473 20 0 HIADHM Cc1cccc(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c1 ZINC000469506525 883757326 /nfs/dbraw/zinc/75/73/26/883757326.db2.gz INUUBDODIJRHNW-UHFFFAOYSA-N -1 3 405.679 4.182 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000469625541 883839512 /nfs/dbraw/zinc/83/95/12/883839512.db2.gz OFLULHYNQCTJGV-HNNXBMFYSA-N -1 3 410.411 4.268 20 0 HIADHM CC(C)C[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000469708288 883881647 /nfs/dbraw/zinc/88/16/47/883881647.db2.gz BYWFZPPZHMKYGY-NSHDSACASA-N -1 3 411.727 4.452 20 0 HIADHM COc1cccc(-n2c(S[C@H](C)c3nc(C)cc(=O)[n-]3)nc3ccccc3c2=O)c1 ZINC000469803317 883977109 /nfs/dbraw/zinc/97/71/09/883977109.db2.gz YVDQZWSYJOCTQT-CQSZACIVSA-N -1 3 420.494 4.052 20 0 HIADHM Cc1ccc(-n2c(S[C@@H](C)c3nc(C)cc(=O)[n-]3)nnc2N2CCCCC2)cc1 ZINC000469809033 883982824 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C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1nc(-c2ccccc2)cs1 ZINC000545366882 940566103 /nfs/dbraw/zinc/56/61/03/940566103.db2.gz WOCDKACCITUVOB-SNVBAGLBSA-N -1 3 413.318 4.205 20 0 HIADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(-c2nc(C3CC3)no2)c(Cl)cc1Cl ZINC000545611249 940577210 /nfs/dbraw/zinc/57/72/10/940577210.db2.gz IYYPSUUPXKLBMI-SECBINFHSA-N -1 3 404.319 4.388 20 0 HIADHM CCOc1cc(C(=O)N[C@H](CN2CCCC2)c2ccc(OC)cc2)cc(Cl)c1[O-] ZINC000545850855 940634882 /nfs/dbraw/zinc/63/48/82/940634882.db2.gz JDHMILLZPKZZMD-LJQANCHMSA-N -1 3 418.921 4.020 20 0 HIADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(C)ccc1Sc1ccc(Cl)cc1 ZINC000546091734 940697960 /nfs/dbraw/zinc/69/79/60/940697960.db2.gz DSVCOUPPZHIPAM-MRXNPFEDSA-N -1 3 401.919 4.041 20 0 HIADHM CCC(CC)N(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C1CC1 ZINC000546167852 940719898 /nfs/dbraw/zinc/71/98/98/940719898.db2.gz YFNWHZZMVIVKRT-UHFFFAOYSA-N -1 3 401.532 4.132 20 0 HIADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(Oc3ccc(C)cc3)cc2)no1 ZINC000546395911 940810001 /nfs/dbraw/zinc/81/00/01/940810001.db2.gz KLWWXVJICXOKBE-UHFFFAOYSA-N -1 3 401.488 4.057 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nc([C@H]4C[C@@H]4C)no3)ccc2C)cc1 ZINC000546476319 940830648 /nfs/dbraw/zinc/83/06/48/940830648.db2.gz YVLHFTMRPAZIDG-KSSFIOAISA-N -1 3 413.499 4.368 20 0 HIADHM Cc1ccccc1[C@H](C)c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000546541510 940847523 /nfs/dbraw/zinc/84/75/23/940847523.db2.gz DECPMKAZZYVCJN-UONOGXRCSA-N -1 3 405.907 4.223 20 0 HIADHM C[C@@](O)(C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1)C(F)(F)F ZINC000546663687 940866812 /nfs/dbraw/zinc/86/68/12/940866812.db2.gz KARRWWKCMCJTSX-HXUWFJFHSA-N -1 3 409.404 4.350 20 0 HIADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc(-c3cccc(F)c3)no2)c1 ZINC000546945038 940921936 /nfs/dbraw/zinc/92/19/36/940921936.db2.gz UHQRTRMSVXGSCS-UHFFFAOYSA-N -1 3 413.405 4.483 20 0 HIADHM O=C(N[C@@H]1CCCc2sccc21)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000547365824 941058509 /nfs/dbraw/zinc/05/85/09/941058509.db2.gz KUXFWDRBBZJWSS-CYBMUJFWSA-N -1 3 403.301 4.160 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cccc4cc[nH]c43)cs2)c1 ZINC000547497362 941065467 /nfs/dbraw/zinc/06/54/67/941065467.db2.gz OTIYKCYWGKLXGG-UHFFFAOYSA-N -1 3 406.467 4.072 20 0 HIADHM CCc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c1[O-] ZINC000547821536 941077050 /nfs/dbraw/zinc/07/70/50/941077050.db2.gz RSRJOBOKWDHEHV-QGZVFWFLSA-N -1 3 408.267 4.070 20 0 HIADHM CCOc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1Br ZINC000547996127 941082871 /nfs/dbraw/zinc/08/28/71/941082871.db2.gz KXGJDBOFBDOMPG-UHFFFAOYSA-N -1 3 419.250 4.389 20 0 HIADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000548368696 941098107 /nfs/dbraw/zinc/09/81/07/941098107.db2.gz MUJLOWPXZZFIKO-UHFFFAOYSA-N -1 3 422.856 4.230 20 0 HIADHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1coc(C2CCCC2)n1 ZINC000548868762 941127306 /nfs/dbraw/zinc/12/73/06/941127306.db2.gz ZGDSRTQDEWOMLT-UHFFFAOYSA-N -1 3 402.252 4.132 20 0 HIADHM COc1ccc(CN(C(=O)NCc2ccc([O-])c(F)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000549107469 941160186 /nfs/dbraw/zinc/16/01/86/941160186.db2.gz KYRJDRSFCAKRSS-CQSZACIVSA-N -1 3 402.466 4.059 20 0 HIADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2F)n1)c1coc(C2CCCC2)n1 ZINC000549716829 941205604 /nfs/dbraw/zinc/20/56/04/941205604.db2.gz XVNYTQASZYPUHE-UHFFFAOYSA-N -1 3 420.242 4.271 20 0 HIADHM C[C@@H](CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)c1ccccc1 ZINC000550202247 941297626 /nfs/dbraw/zinc/29/76/26/941297626.db2.gz VHXZCUZRSIOPQC-NSHDSACASA-N -1 3 419.706 4.478 20 0 HIADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000550790160 941366794 /nfs/dbraw/zinc/36/67/94/941366794.db2.gz GETSWZYOBHFHJN-DEOSSOPVSA-N -1 3 411.854 4.038 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2Cn2ccnc2)c1Cl ZINC000550858687 941375134 /nfs/dbraw/zinc/37/51/34/941375134.db2.gz HAQOUGCTFFWFQZ-UHFFFAOYSA-N -1 3 410.326 4.025 20 0 HIADHM COc1cnc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCC(F)(F)F)nc1 ZINC000551367438 941463257 /nfs/dbraw/zinc/46/32/57/941463257.db2.gz MZCBOFDBABOPOC-UHFFFAOYSA-N -1 3 411.327 4.411 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3nc(-c4ccco4)no3)cc2)cc1 ZINC000551410622 941472138 /nfs/dbraw/zinc/47/21/38/941472138.db2.gz ZDYSNKXIRNZLCS-AWNIVKPZSA-N -1 3 423.450 4.309 20 0 HIADHM Brc1cccc(-c2nc(-c3noc(COCc4ccccc4)n3)n[n-]2)c1 ZINC000551433214 941478140 /nfs/dbraw/zinc/47/81/40/941478140.db2.gz ATFJJEBDCIYMIS-UHFFFAOYSA-N -1 3 412.247 4.001 20 0 HIADHM COc1ccc2c(c1)CCC[C@]2(NCc1cc(-c2ccncc2)ccc1OC)C(=O)[O-] ZINC000551436673 941479300 /nfs/dbraw/zinc/47/93/00/941479300.db2.gz YKQZWHQXTRSJAR-RUZDIDTESA-N -1 3 418.493 4.172 20 0 HIADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1[O-] ZINC000552069332 941578985 /nfs/dbraw/zinc/57/89/85/941578985.db2.gz OFDDBRFVZMFKPY-SNVBAGLBSA-N -1 3 412.667 4.417 20 0 HIADHM Cc1[nH]nc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc12 ZINC000552470185 941680223 /nfs/dbraw/zinc/68/02/23/941680223.db2.gz DEPRFLUIKCUZTL-UHFFFAOYSA-N -1 3 420.494 4.233 20 0 HIADHM COC(=O)c1ccccc1CC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000552922514 941803639 /nfs/dbraw/zinc/80/36/39/941803639.db2.gz HJRCUCQNCMPTNM-UHFFFAOYSA-N -1 3 413.489 4.122 20 0 HIADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000552998269 941813375 /nfs/dbraw/zinc/81/33/75/941813375.db2.gz YZZOKVVTLVLTDA-CQSZACIVSA-N -1 3 417.469 4.195 20 0 HIADHM O=S(=O)([N-]C1(c2cccc(C(F)(F)F)c2)CC1)c1cccnc1C(F)(F)F ZINC000553480557 941892433 /nfs/dbraw/zinc/89/24/33/941892433.db2.gz YHQYNTPZMCOWAZ-UHFFFAOYSA-N -1 3 410.339 4.087 20 0 HIADHM C[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000553874131 941988834 /nfs/dbraw/zinc/98/88/34/941988834.db2.gz ANRQMUAVWRAVPH-JTQLQIEISA-N -1 3 412.355 4.201 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN[C@H](C)c3cc(C)ccn3)c2)cc1 ZINC000556868385 942944767 /nfs/dbraw/zinc/94/47/67/942944767.db2.gz UYHDDMYAVNDCBR-QGZVFWFLSA-N -1 3 411.527 4.050 20 0 HIADHM Cc1ccc(CN(C)C)cc1NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000557360232 943085505 /nfs/dbraw/zinc/08/55/05/943085505.db2.gz OIXSQHFGYWDJOG-UHFFFAOYSA-N -1 3 418.419 4.219 20 0 HIADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1 ZINC000557812770 943300748 /nfs/dbraw/zinc/30/07/48/943300748.db2.gz DQLSUASDQFGDRI-GOSISDBHSA-N -1 3 422.428 4.177 20 0 HIADHM CC(=O)c1cccc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)c1[O-] ZINC000558411002 943551621 /nfs/dbraw/zinc/55/16/21/943551621.db2.gz DRWGXVDFBPPPKL-UHFFFAOYSA-N -1 3 418.287 4.044 20 0 HIADHM CCC[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000559422716 943945660 /nfs/dbraw/zinc/94/56/60/943945660.db2.gz IBMPUWQKQYKDIE-HXUWFJFHSA-N -1 3 415.921 4.183 20 0 HIADHM CCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000559494354 943983090 /nfs/dbraw/zinc/98/30/90/943983090.db2.gz SDUBSUYJTITSAC-UTKZUKDTSA-N -1 3 422.504 4.015 20 0 HIADHM CCN(C(=O)c1cc([O-])ccc1Cl)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000559950633 944097154 /nfs/dbraw/zinc/09/71/54/944097154.db2.gz UTPPERTWNIYDLF-UHFFFAOYSA-N -1 3 416.953 4.399 20 0 HIADHM O=S(=O)([N-][C@H](c1cncc(Br)c1)C1CC1)c1cccc(Cl)c1F ZINC000560018531 944130930 /nfs/dbraw/zinc/13/09/30/944130930.db2.gz FNUUDCZFOLJMNS-HNNXBMFYSA-N -1 3 419.703 4.066 20 0 HIADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)cc1OC ZINC000560027922 944133296 /nfs/dbraw/zinc/13/32/96/944133296.db2.gz AXNUAFYOTGOOHR-UHFFFAOYSA-N -1 3 421.906 4.302 20 0 HIADHM O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1c([O-])cccc1Cl ZINC000560822029 944345037 /nfs/dbraw/zinc/34/50/37/944345037.db2.gz VWABMWQLFQKBOP-UHFFFAOYSA-N -1 3 417.899 4.184 20 0 HIADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccc(F)cc1)c1cccnc1C(F)(F)F ZINC000561484877 944627239 /nfs/dbraw/zinc/62/72/39/944627239.db2.gz OLRPGLCKBBALDT-KRWDZBQOSA-N -1 3 410.392 4.307 20 0 HIADHM Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cc(C)ccc2[O-])n1C ZINC000562207169 945019172 /nfs/dbraw/zinc/01/91/72/945019172.db2.gz LMPGBXGRDSOTCA-UHFFFAOYSA-N -1 3 400.276 4.424 20 0 HIADHM O=C(N[C@H](c1ccccc1)C(F)F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000562268975 945051065 /nfs/dbraw/zinc/05/10/65/945051065.db2.gz MPCXDMXSGBGUQG-MRXNPFEDSA-N 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/nfs/dbraw/zinc/85/12/78/945851278.db2.gz NJQRTWZQAANMAH-UHFFFAOYSA-N -1 3 409.243 4.345 20 0 HIADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(-n2cccn2)c(F)c1 ZINC000566574305 946043172 /nfs/dbraw/zinc/04/31/72/946043172.db2.gz CYAARAMTOPZHTA-ZDUSSCGKSA-N -1 3 403.417 4.257 20 0 HIADHM CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)c1cc([O-])c2ccccc2c1 ZINC000567801612 946415036 /nfs/dbraw/zinc/41/50/36/946415036.db2.gz MWEXDFSYCNGWLG-MRXNPFEDSA-N -1 3 419.399 4.076 20 0 HIADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1cccs1 ZINC000569090009 946816268 /nfs/dbraw/zinc/81/62/68/946816268.db2.gz SUFZCUNDLYPUSY-AWEZNQCLSA-N -1 3 412.335 4.232 20 0 HIADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000572808390 948018057 /nfs/dbraw/zinc/01/80/57/948018057.db2.gz GCQBDPQGQKVMFT-UHFFFAOYSA-N -1 3 405.907 4.431 20 0 HIADHM COC(=O)c1cc(C)nc2nc(SCc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000572890164 948030308 /nfs/dbraw/zinc/03/03/08/948030308.db2.gz QJORDAAZHBBCCC-UHFFFAOYSA-N -1 3 410.282 4.425 20 0 HIADHM C[C@H](CCCC(F)(F)F)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000573156688 948094350 /nfs/dbraw/zinc/09/43/50/948094350.db2.gz HZANSGCPPNETGK-SECBINFHSA-N -1 3 405.214 4.142 20 0 HIADHM CCc1cccc(C(=O)N2CCC(c3noc(-c4ccccc4OC)n3)CC2)c1[O-] ZINC000573537760 948236263 /nfs/dbraw/zinc/23/62/63/948236263.db2.gz YEFIDRVGMBTVPF-UHFFFAOYSA-N -1 3 407.470 4.033 20 0 HIADHM CCCc1cc(=O)[n-]c(C(=Cc2cn(-c3ccccc3Br)nn2)CC)n1 ZINC000573615734 948251741 /nfs/dbraw/zinc/25/17/41/948251741.db2.gz LWPBADVDEVWPEC-JLHYYAGUSA-N -1 3 414.307 4.429 20 0 HIADHM CCc1ncc(C(=O)[N-]c2nnc(-c3cccc(OC(F)(F)F)c3)s2)s1 ZINC000574182412 948379436 /nfs/dbraw/zinc/37/94/36/948379436.db2.gz ODIBCHCBUGHLDV-UHFFFAOYSA-N -1 3 400.407 4.375 20 0 HIADHM CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)c1[O-] ZINC000574788321 948525953 /nfs/dbraw/zinc/52/59/53/948525953.db2.gz XDPQJADOWOASEL-UHFFFAOYSA-N -1 3 405.385 4.498 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000435938700 861201414 /nfs/dbraw/zinc/20/14/14/861201414.db2.gz VLSGBMJKJAVDEA-HUUCEWRRSA-N -1 3 423.444 4.146 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)c1 ZINC000435954985 861217773 /nfs/dbraw/zinc/21/77/73/861217773.db2.gz CRUYXFOXOHVCCX-SFHVURJKSA-N -1 3 417.303 4.399 20 0 HIADHM CCSc1nnc([N-]C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)s1 ZINC000436127304 861416918 /nfs/dbraw/zinc/41/69/18/861416918.db2.gz GBSKCLTWJWRVGE-UHFFFAOYSA-N -1 3 415.418 5.061 20 0 HIADHM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)cc1OC ZINC000436152732 861451814 /nfs/dbraw/zinc/45/18/14/861451814.db2.gz HBPMEQVAYQZSPA-UHFFFAOYSA-N -1 3 403.859 4.084 20 0 HIADHM CSc1c(F)cccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000436159391 861459997 /nfs/dbraw/zinc/45/99/97/861459997.db2.gz INQYLLXFRBASPB-UHFFFAOYSA-N -1 3 422.909 4.398 20 0 HIADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1nc(C2CCCCC2)no1 ZINC000436176843 861478818 /nfs/dbraw/zinc/47/88/18/861478818.db2.gz RLSTUYDRCHLWPK-NSHDSACASA-N -1 3 403.426 4.176 20 0 HIADHM Cc1ccc(NC(=S)N[N-]C(=O)c2cc(Br)ccc2Cl)cc1C ZINC000006966626 845226534 /nfs/dbraw/zinc/22/65/34/845226534.db2.gz OYUSWRGABBBXKO-UHFFFAOYSA-N -1 3 412.740 4.351 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(CC)Cc3cccs3)nc(=O)c2c1C ZINC000007285940 845302379 /nfs/dbraw/zinc/30/23/79/845302379.db2.gz KYHVSNQUKYDIMM-LBPRGKRZSA-N -1 3 405.545 4.114 20 0 HIADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NCc1cccc(Cl)c1 ZINC000010316196 845644299 /nfs/dbraw/zinc/64/42/99/845644299.db2.gz ZQJKQGHCFPOFJQ-UHFFFAOYSA-N -1 3 408.911 4.483 20 0 HIADHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011810625 845835247 /nfs/dbraw/zinc/83/52/47/845835247.db2.gz VVRBVPMICMNENM-MRVPVSSYSA-N -1 3 405.665 4.476 20 0 HIADHM CCCCCc1nnc([N-]C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)s1 ZINC000014714256 845973353 /nfs/dbraw/zinc/97/33/53/845973353.db2.gz FSMIUJIGOUAGTH-UHFFFAOYSA-N -1 3 419.528 4.090 20 0 HIADHM COc1ccc(COC[C@@H](O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000015232675 846020128 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COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000017323506 846245406 /nfs/dbraw/zinc/24/54/06/846245406.db2.gz AFVBUBXJYYHNTJ-KRWDZBQOSA-N -1 3 424.522 4.295 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)Cc1ccccc1 ZINC000017334502 846246671 /nfs/dbraw/zinc/24/66/71/846246671.db2.gz UWVRXOKUGGWNJI-UHFFFAOYSA-N -1 3 412.486 4.207 20 0 HIADHM O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000023120019 846661463 /nfs/dbraw/zinc/66/14/63/846661463.db2.gz MHSJLIUMSYVIPF-UHFFFAOYSA-N -1 3 419.717 4.340 20 0 HIADHM Cc1ccc(F)cc1NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000023131864 846662794 /nfs/dbraw/zinc/66/27/94/846662794.db2.gz HLXJQMYWRGTHJQ-UHFFFAOYSA-N -1 3 417.289 4.134 20 0 HIADHM O=C([N-]c1nnc(C2CCCCC2)s1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000023152945 846664719 /nfs/dbraw/zinc/66/47/19/846664719.db2.gz LWXXMCQLFSJVLP-UHFFFAOYSA-N -1 3 422.436 4.438 20 0 HIADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000023691592 846741134 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HIADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCC)c(Cl)cc1Cl ZINC000027463280 847307483 /nfs/dbraw/zinc/30/74/83/847307483.db2.gz WIBHTXVPPWNSHX-RYUDHWBXSA-N -1 3 409.379 4.379 20 0 HIADHM O=S(=O)([N-]Cc1ccc(Br)s1)c1cccc(Cl)c1Cl ZINC000028060334 847380994 /nfs/dbraw/zinc/38/09/94/847380994.db2.gz XTMHBIOYOZRUSW-UHFFFAOYSA-N -1 3 401.134 4.296 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3sccc3C)ccc2C)cc1 ZINC000028493080 847427579 /nfs/dbraw/zinc/42/75/79/847427579.db2.gz VTJZQTNJZPACGN-UHFFFAOYSA-N -1 3 416.524 4.427 20 0 HIADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)ccc1F ZINC000029784029 847618217 /nfs/dbraw/zinc/61/82/17/847618217.db2.gz NEKQBKNLEKCUOE-GOSISDBHSA-N -1 3 422.497 4.019 20 0 HIADHM O=c1[n-]c(CN2CCC[C@H](c3nc4ccccc4o3)C2)nc2c3ccccc3oc21 ZINC000029826420 847627106 /nfs/dbraw/zinc/62/71/06/847627106.db2.gz MWSCGYTVUOIUEE-AWEZNQCLSA-N -1 3 400.438 4.190 20 0 HIADHM Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000029917665 847651017 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4.020 20 0 HIADHM O=C([N-]NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1ccc(Cl)cc1Cl ZINC000030579325 847740941 /nfs/dbraw/zinc/74/09/41/847740941.db2.gz GMXXWQWKYDKRPS-UHFFFAOYSA-N -1 3 415.280 4.131 20 0 HIADHM Oc1cccc(C=Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000436521413 861833313 /nfs/dbraw/zinc/83/33/13/861833313.db2.gz DOMNKFDDGQDCSH-FPLPWBNLSA-N -1 3 410.231 4.160 20 0 HIADHM O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000436524912 861835092 /nfs/dbraw/zinc/83/50/92/861835092.db2.gz LHLRJMPBDDNISL-UHFFFAOYSA-N -1 3 404.466 4.120 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CSc2ccccc21 ZINC000436526750 861835779 /nfs/dbraw/zinc/83/57/79/861835779.db2.gz ROCZUFYXZMYBNQ-RTWAWAEBSA-N -1 3 418.518 4.217 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CSc2ccccc21 ZINC000436526749 861835855 /nfs/dbraw/zinc/83/58/55/861835855.db2.gz ROCZUFYXZMYBNQ-NHCUHLMSSA-N -1 3 418.518 4.217 20 0 HIADHM COc1cc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)ccc1OCc1ccccc1 ZINC000436528081 861835914 /nfs/dbraw/zinc/83/59/14/861835914.db2.gz GHXZICCBSZHAPT-UHFFFAOYSA-N -1 3 405.450 4.112 20 0 HIADHM CCS[C@@H]1CCC[C@@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436529813 861836852 /nfs/dbraw/zinc/83/68/52/861836852.db2.gz SSEBQHRAQDIIPV-PWRODBHTSA-N -1 3 412.555 4.044 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000436541400 861843678 /nfs/dbraw/zinc/84/36/78/861843678.db2.gz XCMVQULORICOQF-QHCPKHFHSA-N -1 3 416.521 4.394 20 0 HIADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436546541 861845885 /nfs/dbraw/zinc/84/58/85/861845885.db2.gz GNKGISQKYFCUAS-NDEPHWFRSA-N -1 3 401.528 4.405 20 0 HIADHM CC(C)c1csc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436552831 861848964 /nfs/dbraw/zinc/84/89/64/861848964.db2.gz ANMGISNCUQSHLS-IBGZPJMESA-N -1 3 423.538 4.150 20 0 HIADHM COc1cc(Br)c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1OC ZINC000436557984 861850611 /nfs/dbraw/zinc/85/06/11/861850611.db2.gz 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COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000436597025 861863379 /nfs/dbraw/zinc/86/33/79/861863379.db2.gz SMJLGGJRTRTBQV-HXUWFJFHSA-N -1 3 407.466 4.132 20 0 HIADHM O=C(Nc1cccn(CC(F)(F)F)c1=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436586071 861860592 /nfs/dbraw/zinc/86/05/92/861860592.db2.gz UUCYWYSEWHPSEN-UHFFFAOYSA-N -1 3 416.399 4.154 20 0 HIADHM O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)[N-]C(=O)c1cccs1 ZINC000032852990 848083096 /nfs/dbraw/zinc/08/30/96/848083096.db2.gz ZSWXBIVQRUMAPG-UHFFFAOYSA-N -1 3 414.291 4.383 20 0 HIADHM CC(C)(C)N1C[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1=O ZINC000436599482 861864060 /nfs/dbraw/zinc/86/40/60/861864060.db2.gz BHKUXHYRXKVXNK-ZDUSSCGKSA-N -1 3 409.511 4.254 20 0 HIADHM COC(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)nc1 ZINC000436608379 861868730 /nfs/dbraw/zinc/86/87/30/861868730.db2.gz UEVLMMJPQNAHPH-UHFFFAOYSA-N -1 3 405.435 4.103 20 0 HIADHM CCOc1cccc2cc([C@@H](C)NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])oc21 ZINC000436612063 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852461102 /nfs/dbraw/zinc/46/11/02/852461102.db2.gz MRJJILFNBALYBR-UHFFFAOYSA-N -1 3 424.522 4.305 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(F)c(F)cc3F)cc2)cc1 ZINC000437166044 862359633 /nfs/dbraw/zinc/35/96/33/862359633.db2.gz XHZXQVOTPGCFBA-UHFFFAOYSA-N -1 3 420.412 4.465 20 0 HIADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1cnc(Cl)c(Cl)c1 ZINC000083928855 852544047 /nfs/dbraw/zinc/54/40/47/852544047.db2.gz AVVHPWAWFTXWDZ-UHFFFAOYSA-N -1 3 400.056 4.091 20 0 HIADHM CCn1cc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)c(C(F)(F)F)n1 ZINC000437186824 862378719 /nfs/dbraw/zinc/37/87/19/862378719.db2.gz CMDDXKNMXUHMGV-CYBMUJFWSA-N -1 3 421.448 4.494 20 0 HIADHM COCc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000108605166 852864229 /nfs/dbraw/zinc/86/42/29/852864229.db2.gz ZFTDGMRHIXKUIT-UHFFFAOYSA-N -1 3 414.458 4.025 20 0 HIADHM CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110230825 853076858 /nfs/dbraw/zinc/07/68/58/853076858.db2.gz ZYZQWDITNKVJHC-UHFFFAOYSA-N -1 3 416.521 4.092 20 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CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)c1 ZINC000469160260 883257665 /nfs/dbraw/zinc/25/76/65/883257665.db2.gz XZUJAFYKTDJMJL-KRWDZBQOSA-N -1 3 421.266 4.230 20 0 HIADHM NC(=O)c1ccccc1Oc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000469415198 883589441 /nfs/dbraw/zinc/58/94/41/883589441.db2.gz BAKCWGSYOYWWRA-UHFFFAOYSA-N -1 3 408.429 4.384 20 0 HIADHM COc1ccc2c(c1)CN(C(=O)c1cc(=O)c3ccccc3[n-]1)[C@@H](c1ccccc1)C2 ZINC000469466196 883685221 /nfs/dbraw/zinc/68/52/21/883685221.db2.gz GRMSYBVZTNXSOF-XMMPIXPASA-N -1 3 410.473 4.477 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(Br)c(F)cc1F ZINC000469507492 883760467 /nfs/dbraw/zinc/76/04/67/883760467.db2.gz XKPAQFNYABUXBQ-UHFFFAOYSA-N -1 3 400.223 4.081 20 0 HIADHM C[C@@H](C1CC1)N(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000469618997 883836346 /nfs/dbraw/zinc/83/63/46/883836346.db2.gz DFAWSTUNUWLKLS-VIFPVBQESA-N -1 3 409.711 4.347 20 0 HIADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469657514 883852954 /nfs/dbraw/zinc/85/29/54/883852954.db2.gz CYLFAGOVQQDQJM-WBMJQRKESA-N -1 3 417.690 4.230 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4nnc(C(C)(C)C)n4c3)c2)n1 ZINC000469716205 883884541 /nfs/dbraw/zinc/88/45/41/883884541.db2.gz RXHYVMYIKYWQMW-UHFFFAOYSA-N -1 3 416.485 4.004 20 0 HIADHM COc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)cc(OC)c1Br ZINC000469813182 883989057 /nfs/dbraw/zinc/98/90/57/883989057.db2.gz BJYLBGXHGZWVLQ-UHFFFAOYSA-N -1 3 412.255 4.272 20 0 HIADHM COc1ccc(-c2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)nc2)cc1Cl ZINC000469886376 884077988 /nfs/dbraw/zinc/07/79/88/884077988.db2.gz BJEUGFSCIZYGHV-UHFFFAOYSA-N -1 3 412.877 4.094 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000470294698 884670686 /nfs/dbraw/zinc/67/06/86/884670686.db2.gz FMUVMDMFJVBWAA-LBPRGKRZSA-N -1 3 411.246 4.132 20 0 HIADHM COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000503878798 912849902 /nfs/dbraw/zinc/84/99/02/912849902.db2.gz ZFIHMRPWNKUKAQ-CYBMUJFWSA-N -1 3 408.458 4.058 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC(CCC(C)C)CC2)cc1OC ZINC000470523565 884916945 /nfs/dbraw/zinc/91/69/45/884916945.db2.gz MJFAXWXAPQNOMD-UHFFFAOYSA-N -1 3 411.568 4.137 20 0 HIADHM C[C@@H](SCC1CCS(=O)(=O)CC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000503946411 912877382 /nfs/dbraw/zinc/87/73/82/912877382.db2.gz NOORZPLXLVAUBK-LLVKDONJSA-N -1 3 424.569 4.276 20 0 HIADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2F)s1 ZINC000470619373 885044343 /nfs/dbraw/zinc/04/43/43/885044343.db2.gz DNHIPERZCVLONP-UHFFFAOYSA-N -1 3 416.869 4.218 20 0 HIADHM O=C(NCc1ncccc1[O-])Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000470646685 885068951 /nfs/dbraw/zinc/06/89/51/885068951.db2.gz LYYVFYPONALQDO-UHFFFAOYSA-N -1 3 414.824 4.154 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3[nH]c(C)cc3C)ccc2C)cc1 ZINC000471166046 885722371 /nfs/dbraw/zinc/72/23/71/885722371.db2.gz RPYVBFLFTUCQJB-UHFFFAOYSA-N -1 3 413.499 4.002 20 0 HIADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000471312805 885903303 /nfs/dbraw/zinc/90/33/03/885903303.db2.gz RSZSEIXYFNFCIY-GFCCVEGCSA-N -1 3 422.469 4.143 20 0 HIADHM CCOC(=O)c1c([N-]C(=O)c2cc(CSCC)on2)sc2c1CCSC2 ZINC000471357110 885979131 /nfs/dbraw/zinc/97/91/31/885979131.db2.gz MJFKFDWATQTQEI-UHFFFAOYSA-N -1 3 412.558 4.208 20 0 HIADHM Cc1nc2c(cccc2C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000471576907 886289140 /nfs/dbraw/zinc/28/91/40/886289140.db2.gz GIBCNAKOAPEVTF-UHFFFAOYSA-N -1 3 421.478 4.498 20 0 HIADHM Cc1nc2cc(C(=O)Nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)ccc2o1 ZINC000471579217 886291989 /nfs/dbraw/zinc/29/19/89/886291989.db2.gz XFBCEZJHUOLOID-UHFFFAOYSA-N -1 3 421.478 4.498 20 0 HIADHM O=C(NCc1ncccc1[O-])N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000471720246 886432114 /nfs/dbraw/zinc/43/21/14/886432114.db2.gz HQWMOTVQHABEKP-IBGZPJMESA-N -1 3 412.287 4.139 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)c1noc(-c2ccccc2)n1 ZINC000471881111 886662697 /nfs/dbraw/zinc/66/26/97/886662697.db2.gz BVJPLCGBBAZEMF-GFCCVEGCSA-N -1 3 417.874 4.484 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(Cl)cc1-n1cccn1 ZINC000471895645 886677401 /nfs/dbraw/zinc/67/74/01/886677401.db2.gz BHGHWRIEMLZAMK-UHFFFAOYSA-N -1 3 421.682 4.316 20 0 HIADHM Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471954619 886766327 /nfs/dbraw/zinc/76/63/27/886766327.db2.gz NJHUZWAHOWZJGS-UHFFFAOYSA-N -1 3 406.507 4.295 20 0 HIADHM O=C(NC[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1)Nc1cccc(F)c1 ZINC000472020486 886842982 /nfs/dbraw/zinc/84/29/82/886842982.db2.gz SVEXBVCGLJNUAI-MRXNPFEDSA-N -1 3 421.472 4.358 20 0 HIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000472120154 886907200 /nfs/dbraw/zinc/90/72/00/886907200.db2.gz MZZKVMVYUIVCJL-QGZVFWFLSA-N -1 3 402.472 4.405 20 0 HIADHM O=C(NCc1ncccc1[O-])N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000472152417 886951209 /nfs/dbraw/zinc/95/12/09/886951209.db2.gz GQXCPXPPHPNKRT-GFCCVEGCSA-N -1 3 418.213 4.043 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NC(C)(C)c3nc4ccccc4n3C)cc2)cc(=O)[n-]1 ZINC000472166554 886964951 /nfs/dbraw/zinc/96/49/51/886964951.db2.gz YLHNECKKODLYHX-UHFFFAOYSA-N -1 3 416.485 4.101 20 0 HIADHM CCOCCC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CCCC1 ZINC000472305044 887129602 /nfs/dbraw/zinc/12/96/02/887129602.db2.gz YLFDTNHJTRUJSP-UHFFFAOYSA-N -1 3 410.399 4.084 20 0 HIADHM CC(C)(C)c1ncsc1C(=O)[N-]c1ncn(Cc2ccc(Br)cc2)n1 ZINC000473714005 888490463 /nfs/dbraw/zinc/49/04/63/888490463.db2.gz AIOKVCITRWMJPJ-UHFFFAOYSA-N -1 3 420.336 4.095 20 0 HIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000474328817 889200800 /nfs/dbraw/zinc/20/08/00/889200800.db2.gz HOVIMAYDHGAHMR-UHFFFAOYSA-N -1 3 409.446 4.147 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000474625257 889488097 /nfs/dbraw/zinc/48/80/97/889488097.db2.gz YMONMHWFXJCQFC-UHFFFAOYSA-N -1 3 403.473 4.308 20 0 HIADHM Cc1nc(C)c(CCC(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(=O)[n-]1 ZINC000474743359 889599404 /nfs/dbraw/zinc/59/94/04/889599404.db2.gz AFHQUZMCIMXJHJ-UHFFFAOYSA-N -1 3 401.388 4.455 20 0 HIADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1nnc(-c2cccc(Br)c2)s1 ZINC000475505350 890418907 /nfs/dbraw/zinc/41/89/07/890418907.db2.gz UGGTYBFXQLGFOY-UHFFFAOYSA-N -1 3 419.304 4.469 20 0 HIADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccccn1)c1ccc(Br)cc1F ZINC000475543763 890468428 /nfs/dbraw/zinc/46/84/28/890468428.db2.gz FBJCFDQGCYTCGP-GOSISDBHSA-N -1 3 421.291 4.051 20 0 HIADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccnc1)c1ccc(Br)cc1F ZINC000475787728 890727824 /nfs/dbraw/zinc/72/78/24/890727824.db2.gz KZCXOTZDXAVKAR-SFHVURJKSA-N -1 3 421.291 4.051 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(SC)CC3)ccc2C)cc1 ZINC000476028398 890960372 /nfs/dbraw/zinc/96/03/72/890960372.db2.gz CJSVBMNFNSSGGT-UHFFFAOYSA-N -1 3 420.556 4.029 20 0 HIADHM CC(C)[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)S(=O)(=O)C1CCCCC1 ZINC000476169912 891100168 /nfs/dbraw/zinc/10/01/68/891100168.db2.gz SGQVIJICPVMGHD-INIZCTEOSA-N -1 3 407.454 4.122 20 0 HIADHM O=S(=O)([N-]Cc1ccc(-c2cccnc2)cc1)c1ccc(Br)cc1F ZINC000476335271 891241242 /nfs/dbraw/zinc/24/12/42/891241242.db2.gz KUFRIPAXANMVMG-UHFFFAOYSA-N -1 3 421.291 4.129 20 0 HIADHM CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000476418371 891332375 /nfs/dbraw/zinc/33/23/75/891332375.db2.gz YNQJLYGGVPIITK-UHFFFAOYSA-N -1 3 424.844 4.473 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccc(Br)c2)CC2CC2)c1 ZINC000476549954 891467531 /nfs/dbraw/zinc/46/75/31/891467531.db2.gz RUUBNUMOWYEXPO-UHFFFAOYSA-N -1 3 417.303 4.166 20 0 HIADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2cccc3ccsc32)cc1 ZINC000504859187 913588142 /nfs/dbraw/zinc/58/81/42/913588142.db2.gz SKDLGSJVSUNKMY-UHFFFAOYSA-N -1 3 404.513 4.069 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC[C@@H](C)C3)ccc2C)cc1 ZINC000476821303 891806285 /nfs/dbraw/zinc/80/62/85/891806285.db2.gz DHMQGHBAOJBGQV-MRXNPFEDSA-N -1 3 416.543 4.067 20 0 HIADHM COC(=O)[C@H](Cc1ccc(C)cc1)SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000477076246 892011559 /nfs/dbraw/zinc/01/15/59/892011559.db2.gz JUEGZLZYHNRCAV-KRWDZBQOSA-N -1 3 408.479 4.408 20 0 HIADHM Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)c(Cl)c2)c1 ZINC000477292585 892253853 /nfs/dbraw/zinc/25/38/53/892253853.db2.gz KGJMIRFWSUABIL-UHFFFAOYSA-N -1 3 424.309 4.385 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(Br)c(Cl)c3)cc2)n1 ZINC000477462273 892429460 /nfs/dbraw/zinc/42/94/60/892429460.db2.gz RORFEYNPPIXEIX-UHFFFAOYSA-N -1 3 418.678 4.414 20 0 HIADHM Cc1nc(C)c(CC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c(=O)[n-]1 ZINC000477700458 892816306 /nfs/dbraw/zinc/81/63/06/892816306.db2.gz YFJQQNUKYDJTPN-UHFFFAOYSA-N -1 3 408.405 4.123 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCOc3ccc(C(F)(F)F)cn3)nc2)n1 ZINC000477701729 892816929 /nfs/dbraw/zinc/81/69/29/892816929.db2.gz JRUGPMKXFGLINQ-UHFFFAOYSA-N -1 3 419.407 4.101 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3cnccc3C)c2)cc1 ZINC000477895706 892963364 /nfs/dbraw/zinc/96/33/64/892963364.db2.gz YWPXFQZBCOARRA-UHFFFAOYSA-N -1 3 423.538 4.080 20 0 HIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cnc(Cc3ccccc3F)s2)c1F ZINC000478084569 893248558 /nfs/dbraw/zinc/24/85/58/893248558.db2.gz VJNMOBBURHNWFK-UHFFFAOYSA-N -1 3 406.385 4.190 20 0 HIADHM CCCC[C@](C)(NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1cccc(Br)c1 ZINC000478110260 893275514 /nfs/dbraw/zinc/27/55/14/893275514.db2.gz RKILVMUCPIUFSM-FQEVSTJZSA-N -1 3 420.351 4.326 20 0 HIADHM CCN(CC1CCC1)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000478317639 893545799 /nfs/dbraw/zinc/54/57/99/893545799.db2.gz VIYYBCPRWRUXIT-UHFFFAOYSA-N -1 3 416.543 4.067 20 0 HIADHM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1occ2c1CCOC2 ZINC000478657798 893901953 /nfs/dbraw/zinc/90/19/53/893901953.db2.gz HLYUCWXDOHVPLS-UHFFFAOYSA-N -1 3 407.904 4.402 20 0 HIADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)c(F)c1 ZINC000478787064 894063094 /nfs/dbraw/zinc/06/30/94/894063094.db2.gz FOEWVSNIMDQKOK-UHFFFAOYSA-N -1 3 409.801 4.176 20 0 HIADHM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2Br)cc1OC ZINC000479136277 894404107 /nfs/dbraw/zinc/40/41/07/894404107.db2.gz RXGCNDCDKUACEA-UHFFFAOYSA-N -1 3 424.675 4.060 20 0 HIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1 ZINC000479237050 894500650 /nfs/dbraw/zinc/50/06/50/894500650.db2.gz BJUJLALRCGLSHO-ZWKOTPCHSA-N -1 3 402.560 4.394 20 0 HIADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N1CCOCC1 ZINC000479237836 894501256 /nfs/dbraw/zinc/50/12/56/894501256.db2.gz DCUXNQBNBVEJBH-ZDUSSCGKSA-N -1 3 415.342 4.187 20 0 HIADHM COc1cc(C(=O)NCc2ccccc2COCc2ccccc2)cc(OC)c1[O-] ZINC000479276857 894552636 /nfs/dbraw/zinc/55/26/36/894552636.db2.gz RGIUGSALPLRSTO-UHFFFAOYSA-N -1 3 407.466 4.056 20 0 HIADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000479382785 894684539 /nfs/dbraw/zinc/68/45/39/894684539.db2.gz CARQVVPWBCBQHN-HRAATJIYSA-N -1 3 416.543 4.065 20 0 HIADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000479409921 894718050 /nfs/dbraw/zinc/71/80/50/894718050.db2.gz KRKUJLDPIGZCAM-YWZLYKJASA-N -1 3 416.543 4.065 20 0 HIADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000479494829 894814107 /nfs/dbraw/zinc/81/41/07/894814107.db2.gz DMIDAWLUXKXBLB-UHFFFAOYSA-N -1 3 408.278 4.349 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000479692315 894981850 /nfs/dbraw/zinc/98/18/50/894981850.db2.gz WAGNPVGNMCFJJF-UHFFFAOYSA-N -1 3 418.266 4.043 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](c4cc(C)ccc4C)OC[C@H]3C)nc2)n1 ZINC000480070050 895420301 /nfs/dbraw/zinc/42/03/01/895420301.db2.gz HIHXMPOWEWURFK-DYESRHJHSA-N -1 3 404.514 4.390 20 0 HIADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1csc(-c2ccccc2F)n1 ZINC000480146201 895527636 /nfs/dbraw/zinc/52/76/36/895527636.db2.gz WFZMQRPUTDZVPL-UHFFFAOYSA-N -1 3 413.865 4.495 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@H](C)[C@@H]3C)ccc2C)cc1 ZINC000480165569 895553920 /nfs/dbraw/zinc/55/39/20/895553920.db2.gz GCMHPESYBJRRMT-RDJZCZTQSA-N -1 3 416.543 4.065 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@@H](C)[C@H]3C)ccc2C)cc1 ZINC000480165566 895554238 /nfs/dbraw/zinc/55/42/38/895554238.db2.gz GCMHPESYBJRRMT-NVXWUHKLSA-N -1 3 416.543 4.065 20 0 HIADHM Cc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(OCc2ccccc2)c1 ZINC000480276359 895682328 /nfs/dbraw/zinc/68/23/28/895682328.db2.gz VCKVOLIVRALRCR-UHFFFAOYSA-N -1 3 405.380 4.033 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc4c(c3)CCCC4)c2)n1 ZINC000480505247 895874326 /nfs/dbraw/zinc/87/43/26/895874326.db2.gz LHKVXIAKBPVPFP-UHFFFAOYSA-N -1 3 403.482 4.308 20 0 HIADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000480607318 895972951 /nfs/dbraw/zinc/97/29/51/895972951.db2.gz BACJLCZNYCEFCN-OAHLLOKOSA-N -1 3 402.343 4.310 20 0 HIADHM O=c1[n-]c(CSc2nnc(-c3ccncc3)n2C2CC2)nc2c3ccccc3oc21 ZINC000480782077 896148472 /nfs/dbraw/zinc/14/84/72/896148472.db2.gz SYKVGVKAGBMLLS-UHFFFAOYSA-N -1 3 416.466 4.362 20 0 HIADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)C1 ZINC000480813209 896184269 /nfs/dbraw/zinc/18/42/69/896184269.db2.gz PFIDIMRFTWORKK-DOMZBBRYSA-N -1 3 411.428 4.241 20 0 HIADHM 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405.380 4.176 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(F)cc1OC(F)F ZINC000483235377 898879862 /nfs/dbraw/zinc/87/98/62/898879862.db2.gz SXISMQRUBZHSAX-UHFFFAOYSA-N -1 3 405.170 4.217 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000483282332 898918400 /nfs/dbraw/zinc/91/84/00/898918400.db2.gz VFOUKWGTVYVSBQ-JTQLQIEISA-N -1 3 424.314 4.051 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483578394 899232002 /nfs/dbraw/zinc/23/20/02/899232002.db2.gz WBFQKWUCLCGQDJ-LBPRGKRZSA-N -1 3 421.345 4.279 20 0 HIADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1 ZINC000484070975 899704378 /nfs/dbraw/zinc/70/43/78/899704378.db2.gz HRZMAZPRDUVZIN-UHFFFAOYSA-N -1 3 420.494 4.264 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)C3CCCCC3)c2)n1 ZINC000484097165 899726656 /nfs/dbraw/zinc/72/66/56/899726656.db2.gz QYBQGNXYJBRZMX-HZPDHXFCSA-N -1 3 424.545 4.071 20 0 HIADHM 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900805998 /nfs/dbraw/zinc/80/59/98/900805998.db2.gz BPRYIFWSGCQPEI-UHFFFAOYSA-N -1 3 406.486 4.365 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(NC(=O)NC(C)C)c3)c2)n1 ZINC000485782306 901037971 /nfs/dbraw/zinc/03/79/71/901037971.db2.gz DEZYFJSWOISBMK-UHFFFAOYSA-N -1 3 419.485 4.194 20 0 HIADHM Cc1cccc(NC2CCN(C(=O)NCc3ccc([O-])c(Br)c3)CC2)c1 ZINC000486423362 901580583 /nfs/dbraw/zinc/58/05/83/901580583.db2.gz GQZMZAHOWYGWQY-UHFFFAOYSA-N -1 3 418.335 4.249 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000486628427 901761501 /nfs/dbraw/zinc/76/15/01/901761501.db2.gz PONFQKAFIVWBGN-OAHLLOKOSA-N -1 3 407.283 4.068 20 0 HIADHM Cc1ccc(C)n1C1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000486626848 901761881 /nfs/dbraw/zinc/76/18/81/901761881.db2.gz MIKBGUAILHGKPP-UHFFFAOYSA-N -1 3 406.324 4.120 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000486648357 901773239 /nfs/dbraw/zinc/77/32/39/901773239.db2.gz XTUWCFDCATYQBI-MRXNPFEDSA-N -1 3 407.283 4.211 20 0 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HIADHM Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c(F)cc1Br ZINC000490050889 903744002 /nfs/dbraw/zinc/74/40/02/903744002.db2.gz AIRASEMVQIOMIG-UHFFFAOYSA-N -1 3 407.214 4.438 20 0 HIADHM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cc(C(F)(F)F)on1 ZINC000490465350 904025057 /nfs/dbraw/zinc/02/50/57/904025057.db2.gz TYDVYUVNHGGTSU-UHFFFAOYSA-N -1 3 403.209 4.214 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2OCCc3sccc32)c1Cl ZINC000490533070 904081505 /nfs/dbraw/zinc/08/15/05/904081505.db2.gz CGKATMLJHAQENR-BONVTDFDSA-N -1 3 406.356 4.344 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1OC ZINC000490559154 904100119 /nfs/dbraw/zinc/10/01/19/904100119.db2.gz ALAHIKGWJVPFSL-UHFFFAOYSA-N -1 3 420.506 4.046 20 0 HIADHM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Br)cc2[nH]ncc21 ZINC000491585200 904662028 /nfs/dbraw/zinc/66/20/28/904662028.db2.gz BCOVFYVUEJHTAW-UHFFFAOYSA-N -1 3 400.685 4.088 20 0 HIADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1cccc(Cl)c1Br ZINC000493909375 905262033 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HIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)N3CCCC3)cc2)cc1CC ZINC000535231403 933030591 /nfs/dbraw/zinc/03/05/91/933030591.db2.gz ZGFDVUOZVZERHQ-UHFFFAOYSA-N -1 3 414.571 4.167 20 0 HIADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F ZINC000535420529 933127875 /nfs/dbraw/zinc/12/78/75/933127875.db2.gz TUNRNKYDBBVOPH-DPMMWBKBSA-N -1 3 418.415 4.222 20 0 HIADHM CCOc1ccc(F)c([N-]C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)c1F ZINC000535483418 933174447 /nfs/dbraw/zinc/17/44/47/933174447.db2.gz DQOISGFMFWIWGK-UHFFFAOYSA-N -1 3 412.318 4.215 20 0 HIADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nc(-c2ccccc2)no1 ZINC000535521242 933211937 /nfs/dbraw/zinc/21/19/37/933211937.db2.gz WPXOQWCASTYUAS-NSHDSACASA-N -1 3 412.298 4.125 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc([S@@](C)=O)cc2)c1Cl ZINC000535900709 933478606 /nfs/dbraw/zinc/47/86/06/933478606.db2.gz PWULNKAQLZSUIZ-QVQLBTGDSA-N -1 3 406.356 4.079 20 0 HIADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1nc(-c3ccc(C)cc3)cs1)c2=O 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XJCDUYBMKZQDTP-YOEHRIQHSA-N -1 3 400.327 4.358 20 0 HIADHM O=S(=O)([N-]c1ccc(SCc2cccnc2)cc1)c1ccc2c(c1)CCCO2 ZINC000537874162 938396482 /nfs/dbraw/zinc/39/64/82/938396482.db2.gz YVXVSZYBERNAID-UHFFFAOYSA-N -1 3 412.536 4.500 20 0 HIADHM CCOc1ccccc1-c1cccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000537935289 938421971 /nfs/dbraw/zinc/42/19/71/938421971.db2.gz GNFNNJIKUSKHLP-UHFFFAOYSA-N -1 3 410.495 4.376 20 0 HIADHM COCCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1Cl ZINC000538015667 938462424 /nfs/dbraw/zinc/46/24/24/938462424.db2.gz QILMPNMHNLEGSZ-UHFFFAOYSA-N -1 3 408.278 4.267 20 0 HIADHM CCOC(=O)c1ccc(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c([O-])c1 ZINC000538289551 938584018 /nfs/dbraw/zinc/58/40/18/938584018.db2.gz CQHJQUUTWAWRIF-UHFFFAOYSA-N -1 3 417.311 4.024 20 0 HIADHM CSc1ccccc1CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000538624806 938665160 /nfs/dbraw/zinc/66/51/60/938665160.db2.gz MSAGLQWGNKDYNI-UHFFFAOYSA-N -1 3 418.946 4.187 20 0 HIADHM COc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000538746313 938699892 /nfs/dbraw/zinc/69/98/92/938699892.db2.gz NLVAEGBKGDHLMM-UHFFFAOYSA-N -1 3 412.877 4.291 20 0 HIADHM O=S(=O)([N-]c1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cccc(F)c1 ZINC000538755415 938703162 /nfs/dbraw/zinc/70/31/62/938703162.db2.gz SINKJPXAZVAUGJ-UHFFFAOYSA-N -1 3 409.311 4.157 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)c1 ZINC000538777081 938707889 /nfs/dbraw/zinc/70/78/89/938707889.db2.gz YPQZANZDIUKMQE-UHFFFAOYSA-N -1 3 410.451 4.038 20 0 HIADHM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000538851341 938724959 /nfs/dbraw/zinc/72/49/59/938724959.db2.gz HZKYJZXKTSCVHV-UHFFFAOYSA-N -1 3 408.810 4.475 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3CCC(Cc4cccnc4)CC3)cc2)cc(=O)[n-]1 ZINC000538850261 938725111 /nfs/dbraw/zinc/72/51/11/938725111.db2.gz WFHNTWHOCNSPBA-UHFFFAOYSA-N -1 3 403.486 4.039 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@H](C)c3c(F)cccc3F)nc(=O)c2c1C ZINC000539228210 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20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCOC3)cc2)cc(=O)[n-]1 ZINC000540039627 939046078 /nfs/dbraw/zinc/04/60/78/939046078.db2.gz XNNFTDMFONQTGD-AVRDEDQJSA-N -1 3 404.470 4.057 20 0 HIADHM O=S(=O)([N-]c1cc(F)c(F)cc1Br)c1ccccc1OC(F)F ZINC000540040052 939046671 /nfs/dbraw/zinc/04/66/71/939046671.db2.gz HEZJVOIFSCCFHH-UHFFFAOYSA-N -1 3 414.174 4.130 20 0 HIADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl ZINC000540484488 939270603 /nfs/dbraw/zinc/27/06/03/939270603.db2.gz MIMVIFMSXAECDC-HOCLYGCPSA-N -1 3 408.253 4.080 20 0 HIADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c1[O-] ZINC000563693949 945252618 /nfs/dbraw/zinc/25/26/18/945252618.db2.gz UAGVLIKOVKIBRQ-GOSISDBHSA-N -1 3 416.477 4.239 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000541134977 939472919 /nfs/dbraw/zinc/47/29/19/939472919.db2.gz ZJDLJNNEWQQHSQ-UHFFFAOYSA-N -1 3 423.542 4.216 20 0 HIADHM Cc1nscc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000541234878 939486885 /nfs/dbraw/zinc/48/68/85/939486885.db2.gz BYDHIFDVRYFNDN-UHFFFAOYSA-N -1 3 401.513 4.121 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1-c1ncco1 ZINC000541304289 939490221 /nfs/dbraw/zinc/49/02/21/939490221.db2.gz WVMBFVCYSTWLAH-UHFFFAOYSA-N -1 3 413.430 4.386 20 0 HIADHM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2)C(F)(F)F ZINC000541824631 939643337 /nfs/dbraw/zinc/64/33/37/939643337.db2.gz BSBFUYARSRQIFY-CQSZACIVSA-N -1 3 400.422 4.051 20 0 HIADHM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000541941817 939659106 /nfs/dbraw/zinc/65/91/06/939659106.db2.gz JPSVTGCGDDPIQX-UHFFFAOYSA-N -1 3 415.240 4.389 20 0 HIADHM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000541941817 939659110 /nfs/dbraw/zinc/65/91/10/939659110.db2.gz JPSVTGCGDDPIQX-UHFFFAOYSA-N -1 3 415.240 4.389 20 0 HIADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000542235674 939769712 /nfs/dbraw/zinc/76/97/12/939769712.db2.gz JRZIMLQFKMLVKA-UHFFFAOYSA-N -1 3 400.342 4.028 20 0 HIADHM Cc1csc(C2([N-]S(=O)(=O)c3cccc(Br)c3F)CCCC2)n1 ZINC000542323289 939800401 /nfs/dbraw/zinc/80/04/01/939800401.db2.gz QVYJNXUWGAHTLM-UHFFFAOYSA-N -1 3 419.341 4.101 20 0 HIADHM Cc1ncc(CNC(=O)c2sc3cccc(F)c3c2COc2ccccc2)c(=O)[n-]1 ZINC000542388240 939812208 /nfs/dbraw/zinc/81/22/08/939812208.db2.gz ZOYSOFNRLNKKQW-UHFFFAOYSA-N -1 3 423.469 4.353 20 0 HIADHM CC(C)Sc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001263627977 939828659 /nfs/dbraw/zinc/82/86/59/939828659.db2.gz DONULVBPOFECIN-HSZRJFAPSA-N -1 3 412.555 4.036 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000542571405 939845149 /nfs/dbraw/zinc/84/51/49/939845149.db2.gz FQBANBJRTJVXFJ-LJQANCHMSA-N -1 3 409.417 4.057 20 0 HIADHM CCc1cccc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)c1[O-] ZINC000542783333 939860627 /nfs/dbraw/zinc/86/06/27/939860627.db2.gz ROIHNOSGMJHRSB-NRFANRHFSA-N -1 3 423.488 4.110 20 0 HIADHM COc1ccc(C2(CNC(=O)NCc3ccc([O-])c(Br)c3)CCC2)cc1 ZINC000543235375 940003576 /nfs/dbraw/zinc/00/35/76/940003576.db2.gz YGLAGNWGODLWNV-UHFFFAOYSA-N -1 3 419.319 4.084 20 0 HIADHM Cc1ccc([O-])c(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)n1 ZINC000543392139 940049547 /nfs/dbraw/zinc/04/95/47/940049547.db2.gz JSQMTEFWWPSYEM-UHFFFAOYSA-N -1 3 419.525 4.181 20 0 HIADHM CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000543537916 940098392 /nfs/dbraw/zinc/09/83/92/940098392.db2.gz ZEBGDAVMONINAY-KRWDZBQOSA-N -1 3 406.448 4.012 20 0 HIADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Cl)cc1Sc1ccc(Cl)cc1 ZINC000543585199 940119502 /nfs/dbraw/zinc/11/95/02/940119502.db2.gz AZMDKNMVGBWRPM-HNNXBMFYSA-N -1 3 422.337 4.386 20 0 HIADHM O=S(=O)([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)c1cccc2cnccc21 ZINC000544100592 940327022 /nfs/dbraw/zinc/32/70/22/940327022.db2.gz AHGQZFUQSZVKIQ-INIZCTEOSA-N -1 3 402.344 4.095 20 0 HIADHM COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000544242277 940365431 /nfs/dbraw/zinc/36/54/31/940365431.db2.gz 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HIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000436601173 861865090 /nfs/dbraw/zinc/86/50/90/861865090.db2.gz ICQGZBVJVCLKFN-CQSZACIVSA-N -1 3 421.522 4.399 20 0 HIADHM CC1CCN(C(=O)C2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)CC1 ZINC000436616170 861871153 /nfs/dbraw/zinc/87/11/53/861871153.db2.gz IPKCSRDESOQRIP-UHFFFAOYSA-N -1 3 420.553 4.094 20 0 HIADHM CCCCOc1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)c([O-])c1 ZINC000436604154 861866837 /nfs/dbraw/zinc/86/68/37/861866837.db2.gz MWCLSQNJBFCFPG-JXFKEZNVSA-N -1 3 403.906 4.073 20 0 HIADHM CSc1nc(=O)[nH]c(C)c1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436608688 861868525 /nfs/dbraw/zinc/86/85/25/861868525.db2.gz VEULJDIIBLTZMR-UHFFFAOYSA-N -1 3 424.507 4.447 20 0 HIADHM O=C(NCC1CCC(c2ccccc2)CC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436616899 861871037 /nfs/dbraw/zinc/87/10/37/861871037.db2.gz IXEQPPJOEHNJJI-ZOGYUUGASA-N -1 3 406.526 4.087 20 0 HIADHM CC(C)(NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccs1 ZINC000436618981 861872518 /nfs/dbraw/zinc/87/25/18/861872518.db2.gz NHEFJQOYBZSIFY-LJQANCHMSA-N -1 3 408.523 4.366 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c(Br)c1 ZINC000037575784 848174330 /nfs/dbraw/zinc/17/43/30/848174330.db2.gz JEJAUIPRKOFFQX-UHFFFAOYSA-N -1 3 423.101 4.460 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC=C(c2ccccc2)C1 ZINC000436631316 861875711 /nfs/dbraw/zinc/87/57/11/861875711.db2.gz ROCHGDFOKZHPID-DEOSSOPVSA-N -1 3 412.489 4.179 20 0 HIADHM C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c2ccccc2O1 ZINC000436631226 861876101 /nfs/dbraw/zinc/87/61/01/861876101.db2.gz SWPOBYKSLNNZRM-UTKZUKDTSA-N -1 3 416.477 4.068 20 0 HIADHM Cc1cc([C@H](C)[N-]S(=O)(=O)c2cc(Br)cnc2Cl)c(C)s1 ZINC000041066529 848200163 /nfs/dbraw/zinc/20/01/63/848200163.db2.gz GJHUTQSELIXILB-QMMMGPOBSA-N -1 3 409.758 4.215 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)CCc3ccccc3)cs2)c1 ZINC000436633454 861877063 /nfs/dbraw/zinc/87/70/63/861877063.db2.gz BMGDUPVKCXYAJY-MRXNPFEDSA-N -1 3 423.538 4.089 20 0 HIADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c([O-])c1 ZINC000436640586 861879095 /nfs/dbraw/zinc/87/90/95/861879095.db2.gz XTZALZQBRFHGHA-UHFFFAOYSA-N -1 3 414.465 4.003 20 0 HIADHM O=C(c1c([O-])cccc1O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000436649395 861882173 /nfs/dbraw/zinc/88/21/73/861882173.db2.gz RSBOIVMZBBLSEG-QHCPKHFHSA-N -1 3 422.912 4.299 20 0 HIADHM Cc1cc(CC(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3[O-])c(Cl)c2)n[nH]1 ZINC000436659023 861884824 /nfs/dbraw/zinc/88/48/24/861884824.db2.gz NMOILLMPPAIBEB-UHFFFAOYSA-N -1 3 419.268 4.164 20 0 HIADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])o1 ZINC000436669435 861888979 /nfs/dbraw/zinc/88/89/79/861888979.db2.gz LJLKVOCKQIVWMU-ORAYPTAESA-N -1 3 423.469 4.456 20 0 HIADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccc(F)cc1F ZINC000436669765 861889180 /nfs/dbraw/zinc/88/91/80/861889180.db2.gz NNQSJLQEYXZPGP-GOSISDBHSA-N -1 3 415.396 4.100 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)c1 ZINC000436672692 861890086 /nfs/dbraw/zinc/89/00/86/861890086.db2.gz ZNKITDSAAFYJDZ-ASSNKEHSSA-N -1 3 423.444 4.303 20 0 HIADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccc(Cl)cc1 ZINC000436674937 861890593 /nfs/dbraw/zinc/89/05/93/861890593.db2.gz RTMXLJWUTXQRFO-GOSISDBHSA-N -1 3 413.861 4.475 20 0 HIADHM COc1ccccc1-c1csc(C2CCN(C(=O)c3c([O-])cccc3O)CC2)n1 ZINC000436676124 861891888 /nfs/dbraw/zinc/89/18/88/861891888.db2.gz NEPGOOBPLMZMOT-UHFFFAOYSA-N -1 3 410.495 4.250 20 0 HIADHM Cc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1NC(=O)c1ccncc1 ZINC000436680500 861892330 /nfs/dbraw/zinc/89/23/30/861892330.db2.gz JZQPDWWSWPKGLE-UHFFFAOYSA-N -1 3 417.465 4.314 20 0 HIADHM COc1cc(-c2nc(-c3ccc(OCc4ccccc4)nc3)no2)cc(OC)c1[O-] ZINC000436692234 861895049 /nfs/dbraw/zinc/89/50/49/861895049.db2.gz WDWSCGTVMPHJQK-UHFFFAOYSA-N -1 3 405.410 4.100 20 0 HIADHM COc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c([O-])c1 ZINC000436698985 861896587 /nfs/dbraw/zinc/89/65/87/861896587.db2.gz RRPXQDVKRLFYHE-UHFFFAOYSA-N -1 3 409.313 4.102 20 0 HIADHM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436715998 861902456 /nfs/dbraw/zinc/90/24/56/861902456.db2.gz NLWHHMQNVMBPBA-SEJPIABJSA-N -1 3 401.510 4.267 20 0 HIADHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436719594 861905636 /nfs/dbraw/zinc/90/56/36/861905636.db2.gz ALSCQSMFIODMLA-QGZVFWFLSA-N -1 3 416.525 4.449 20 0 HIADHM CC(C)c1ccc(-c2nc(C(=O)OCC(=O)[N-]C(=O)c3cccs3)cs2)cc1 ZINC000044151749 848523076 /nfs/dbraw/zinc/52/30/76/848523076.db2.gz UXVANILNFMUIDF-UHFFFAOYSA-N -1 3 414.508 4.108 20 0 HIADHM Cn1ccnc1SCc1ccc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)o1 ZINC000044647950 848588268 /nfs/dbraw/zinc/58/82/68/848588268.db2.gz WBXQJCRCTJABJU-UHFFFAOYSA-N -1 3 411.512 4.000 20 0 HIADHM COc1cc(CN(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)ccc1OC(F)F ZINC000045469363 848682623 /nfs/dbraw/zinc/68/26/23/848682623.db2.gz OJOPAHABQXCLSS-UHFFFAOYSA-N -1 3 415.396 4.324 20 0 HIADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[N-]C(=O)c2ccccc2Br)c1 ZINC000045583889 848694958 /nfs/dbraw/zinc/69/49/58/848694958.db2.gz LUHRQLQYLFRMIW-CQSZACIVSA-N -1 3 419.319 4.109 20 0 HIADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)c2ccccc21 ZINC000436749719 861932199 /nfs/dbraw/zinc/93/21/99/861932199.db2.gz KVFKVHVSNDKAMJ-QVKFZJNVSA-N -1 3 406.457 4.167 20 0 HIADHM C[C@H](Oc1ccccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436750097 861934375 /nfs/dbraw/zinc/93/43/75/861934375.db2.gz MORZDTJYLCKMHJ-KRWDZBQOSA-N -1 3 419.481 4.084 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Oc3cc(C)ccc3Cl)c2)n1 ZINC000046067140 848780896 /nfs/dbraw/zinc/78/08/96/848780896.db2.gz DAKCNSWZLRJXLO-CQSZACIVSA-N -1 3 411.889 4.367 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3csc(Cc4ccccc4)n3)c2)n1 ZINC000046066806 848780916 /nfs/dbraw/zinc/78/09/16/848780916.db2.gz YTUBRTLMAXKYDP-UHFFFAOYSA-N -1 3 416.506 4.299 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(=O)OC(C)(C)C)c2)cc1C ZINC000046698323 848913029 /nfs/dbraw/zinc/91/30/29/848913029.db2.gz HFFUOKYANCDSPK-UHFFFAOYSA-N -1 3 422.503 4.160 20 0 HIADHM CCCCn1c(=O)c2ccccc2nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436778628 861970004 /nfs/dbraw/zinc/97/00/04/861970004.db2.gz RZVPZUCVAFCYEE-UHFFFAOYSA-N -1 3 408.483 4.245 20 0 HIADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCCCCCC3)c2)c1 ZINC000047526596 849063764 /nfs/dbraw/zinc/06/37/64/849063764.db2.gz IPCWQARBEFGPBA-UHFFFAOYSA-N -1 3 412.486 4.068 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)c1 ZINC000436784354 861975452 /nfs/dbraw/zinc/97/54/52/861975452.db2.gz PKMZRLSADQLLGC-YJBOKZPZSA-N -1 3 419.481 4.349 20 0 HIADHM COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc(NC(C)=O)ccc2[O-])C1 ZINC000436785686 861979841 /nfs/dbraw/zinc/97/98/41/861979841.db2.gz FXUMVJWEIRTBFD-OAHLLOKOSA-N -1 3 416.905 4.108 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)c1 ZINC000436788092 861981533 /nfs/dbraw/zinc/98/15/33/861981533.db2.gz SVAPXFZHPWAKRT-LLVKDONJSA-N -1 3 423.332 4.024 20 0 HIADHM CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436788079 861981828 /nfs/dbraw/zinc/98/18/28/861981828.db2.gz AWOYXJDFRDHWJI-OAQYLSRUSA-N -1 3 409.526 4.371 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c1 ZINC000436790053 861982109 /nfs/dbraw/zinc/98/21/09/861982109.db2.gz MXHCLKGMJXWGGI-QGZVFWFLSA-N -1 3 420.513 4.301 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cc(Br)ccc2F)C(C)C)c1 ZINC000436788322 861982563 /nfs/dbraw/zinc/98/25/63/861982563.db2.gz XEARXDHBDMAGGG-UHFFFAOYSA-N -1 3 423.282 4.303 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)c1 ZINC000436788093 861982732 /nfs/dbraw/zinc/98/27/32/861982732.db2.gz SVAPXFZHPWAKRT-NSHDSACASA-N -1 3 423.332 4.024 20 0 HIADHM C/C(=C\c1ccccc1)CN(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436805518 861994183 /nfs/dbraw/zinc/99/41/83/861994183.db2.gz FDOVCOFVGIXZRV-RVDMUPIBSA-N -1 3 405.454 4.116 20 0 HIADHM COc1ccc([C@H](Cc2ccccc2)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436808102 861996315 /nfs/dbraw/zinc/99/63/15/861996315.db2.gz KPTYJFNFEFYFSF-QFIPXVFZSA-N -1 3 404.466 4.073 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OCC(F)(F)F)cc3)c2)n1 ZINC000049303248 849302483 /nfs/dbraw/zinc/30/24/83/849302483.db2.gz NTAJSDYLOAPTCL-UHFFFAOYSA-N -1 3 417.387 4.193 20 0 HIADHM O=C(Cc1ccc2c(c1)NC(=O)C2)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436824359 862006092 /nfs/dbraw/zinc/00/60/92/862006092.db2.gz GXZZSPIEMKFSLO-UHFFFAOYSA-N -1 3 415.474 4.345 20 0 HIADHM Cc1c(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cccc1N1CCNC1=O ZINC000436823271 862006483 /nfs/dbraw/zinc/00/64/83/862006483.db2.gz UCXFISLPZIUGIP-UHFFFAOYSA-N -1 3 403.438 4.275 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)c1 ZINC000436833553 862012341 /nfs/dbraw/zinc/01/23/41/862012341.db2.gz JXSORISOJKJZRC-NSHDSACASA-N -1 3 411.285 4.197 20 0 HIADHM CCc1ccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c([O-])c1 ZINC000436839851 862017552 /nfs/dbraw/zinc/01/75/52/862017552.db2.gz NMBHJCAHQRQWOJ-UHFFFAOYSA-N -1 3 404.304 4.401 20 0 HIADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)cc1 ZINC000052025229 849542500 /nfs/dbraw/zinc/54/25/00/849542500.db2.gz ZLMCBBRJWLKSLV-UHFFFAOYSA-N -1 3 409.573 4.009 20 0 HIADHM Cc1ccc([C@@H](C)N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000052512361 849590574 /nfs/dbraw/zinc/59/05/74/849590574.db2.gz WQSUWLOVUJNRSM-OAHLLOKOSA-N -1 3 415.490 4.096 20 0 HIADHM Cc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])sc1-c1ccccc1 ZINC000052591500 849600581 /nfs/dbraw/zinc/60/05/81/849600581.db2.gz JXYWSOSLBYYTGV-QGZVFWFLSA-N -1 3 407.495 4.067 20 0 HIADHM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1-c1ccncc1 ZINC000436861813 862041283 /nfs/dbraw/zinc/04/12/83/862041283.db2.gz WAXGEWCHRBXQRT-OAQYLSRUSA-N -1 3 401.466 4.006 20 0 HIADHM Cc1ccc(OCc2ccc(C(=O)[N-]c3cc(S(C)(=O)=O)ccc3F)o2)c(C)c1 ZINC000052978891 849651171 /nfs/dbraw/zinc/65/11/71/849651171.db2.gz PQZIXZUGIBBQTN-UHFFFAOYSA-N -1 3 417.458 4.270 20 0 HIADHM CCOc1ccc([C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C(C)C)cc1OCC ZINC000053178406 849676050 /nfs/dbraw/zinc/67/60/50/849676050.db2.gz MRMJTEKHZLKMNT-HSZRJFAPSA-N -1 3 408.498 4.453 20 0 HIADHM Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1F ZINC000053414612 849705726 /nfs/dbraw/zinc/70/57/26/849705726.db2.gz NQVHCQOTRYLRKZ-UHFFFAOYSA-N -1 3 412.505 4.132 20 0 HIADHM CCn1c(C)cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1C ZINC000053753637 849755156 /nfs/dbraw/zinc/75/51/56/849755156.db2.gz FPWWFXAJGXKAGU-UHFFFAOYSA-N -1 3 411.527 4.486 20 0 HIADHM Cc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)s1 ZINC000053775861 849756788 /nfs/dbraw/zinc/75/67/88/849756788.db2.gz QMETWBWEXWBWGZ-UHFFFAOYSA-N -1 3 418.515 4.235 20 0 HIADHM COc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc(Br)c1O ZINC000436884820 862062594 /nfs/dbraw/zinc/06/25/94/862062594.db2.gz DOJZGZCHSZCIAE-XNTDXEJSSA-N -1 3 413.271 4.030 20 0 HIADHM COc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c(Br)cc1O ZINC000436889811 862066314 /nfs/dbraw/zinc/06/63/14/862066314.db2.gz YDJWGSJYNWMQFR-GDNBJRDFSA-N -1 3 413.271 4.030 20 0 HIADHM COCC(=O)Nc1ccc(-c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)cc1 ZINC000436891726 862068227 /nfs/dbraw/zinc/06/82/27/862068227.db2.gz YMUSFYOWUGGEPX-UHFFFAOYSA-N -1 3 415.449 4.285 20 0 HIADHM Cn1ccc2cccc(NC(=O)C[C@@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)c21 ZINC000436897550 862074216 /nfs/dbraw/zinc/07/42/16/862074216.db2.gz ZYPNBXPDTZBALB-JOCHJYFZSA-N -1 3 413.477 4.384 20 0 HIADHM O=C(N[C@H](CC(=O)N1CC[C@H](CC(F)(F)F)C1)c1ccccc1)c1ccc([O-])cc1 ZINC000436903023 862077743 /nfs/dbraw/zinc/07/77/43/862077743.db2.gz VJVIFFCCHAWXKG-DNVCBOLYSA-N -1 3 420.431 4.054 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cccc(Cl)c1 ZINC000436900895 862077877 /nfs/dbraw/zinc/07/78/77/862077877.db2.gz FDPKPSUJLBEJBY-JOCHJYFZSA-N -1 3 422.912 4.266 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2c1c(F)ccc2F ZINC000436902993 862079008 /nfs/dbraw/zinc/07/90/08/862079008.db2.gz LNDVYQGKKVWGRM-NRFANRHFSA-N -1 3 422.431 4.121 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCc2ccccc21 ZINC000436912222 862088974 /nfs/dbraw/zinc/08/89/74/862088974.db2.gz HALGLYOILYNYCT-JOCHJYFZSA-N -1 3 400.478 4.233 20 0 HIADHM C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c2ccccc21 ZINC000436905939 862082730 /nfs/dbraw/zinc/08/27/30/862082730.db2.gz BPYUDPOHNSMJLP-VGOFRKELSA-N -1 3 400.478 4.404 20 0 HIADHM COc1cc(C)ccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436907953 862084677 /nfs/dbraw/zinc/08/46/77/862084677.db2.gz HLUJPRVSAPJVHW-OAQYLSRUSA-N -1 3 404.466 4.209 20 0 HIADHM CCc1nc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)sc1C ZINC000436908330 862085505 /nfs/dbraw/zinc/08/55/05/862085505.db2.gz IEVQTNKDTKGWOC-IBGZPJMESA-N -1 3 409.511 4.219 20 0 HIADHM Cc1nc2ccc(NC(=O)C[C@@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)cc2o1 ZINC000436910028 862085913 /nfs/dbraw/zinc/08/59/13/862085913.db2.gz BQBADQGUWOMXCK-OAQYLSRUSA-N -1 3 415.449 4.342 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)ccc1OC(C)C ZINC000055581477 850062104 /nfs/dbraw/zinc/06/21/04/850062104.db2.gz RIZIJGZZRGIRDH-UHFFFAOYSA-N -1 3 405.520 4.113 20 0 HIADHM Cc1nc2cc(NC(=O)C[C@@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)ccc2o1 ZINC000436911704 862089417 /nfs/dbraw/zinc/08/94/17/862089417.db2.gz FXVAVFVISGSFNQ-HXUWFJFHSA-N -1 3 415.449 4.342 20 0 HIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC000055633935 850085345 /nfs/dbraw/zinc/08/53/45/850085345.db2.gz OLCSQJPFDMTMAM-UHFFFAOYSA-N -1 3 416.449 4.255 20 0 HIADHM COc1cccc([C@@H](C)NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436913333 862091311 /nfs/dbraw/zinc/09/13/11/862091311.db2.gz JCNZYQPYFMVJPD-UZUQRXQVSA-N -1 3 418.493 4.139 20 0 HIADHM CCCCc1nnc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436914912 862093379 /nfs/dbraw/zinc/09/33/79/862093379.db2.gz NTMDKTGQZHQUNQ-GOSISDBHSA-N -1 3 424.526 4.086 20 0 HIADHM CCCCc1nnc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436914913 862093694 /nfs/dbraw/zinc/09/36/94/862093694.db2.gz NTMDKTGQZHQUNQ-SFHVURJKSA-N -1 3 424.526 4.086 20 0 HIADHM C[C@H](CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(F)cc1 ZINC000436916315 862096516 /nfs/dbraw/zinc/09/65/16/862096516.db2.gz VYEVLOZQHKSOBL-UZUQRXQVSA-N -1 3 420.484 4.312 20 0 HIADHM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000436915106 862096739 /nfs/dbraw/zinc/09/67/39/862096739.db2.gz OVWMEDMMYJKPRL-UHFFFAOYSA-N -1 3 415.240 4.127 20 0 HIADHM C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1c(F)cccc1F ZINC000436917095 862099322 /nfs/dbraw/zinc/09/93/22/862099322.db2.gz YRRAAHJYLHKZBS-QVKFZJNVSA-N -1 3 424.447 4.409 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000436918778 862100446 /nfs/dbraw/zinc/10/04/46/862100446.db2.gz KBKJWAODSGQPCE-VABKMULXSA-N -1 3 418.468 4.065 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000436918780 862101292 /nfs/dbraw/zinc/10/12/92/862101292.db2.gz KBKJWAODSGQPCE-XPWALMASSA-N -1 3 418.468 4.065 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1(c2ccccc2)CC1 ZINC000436926982 862106278 /nfs/dbraw/zinc/10/62/78/862106278.db2.gz PUDRJNOSZQLTRF-QFIPXVFZSA-N -1 3 400.478 4.059 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCc2ccccc21 ZINC000436926195 862106292 /nfs/dbraw/zinc/10/62/92/862106292.db2.gz LALUQFJFSJZCGC-XUZZJYLKSA-N -1 3 414.505 4.100 20 0 HIADHM COc1cc(C)c(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1F ZINC000436935187 862112373 /nfs/dbraw/zinc/11/23/73/862112373.db2.gz NWMLZEDPIYHMJR-OAQYLSRUSA-N -1 3 422.456 4.348 20 0 HIADHM O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1cc(=O)c2ccccc2[n-]1 ZINC000056095147 850242349 /nfs/dbraw/zinc/24/23/49/850242349.db2.gz VIGXLERQXSYEDA-UHFFFAOYSA-N -1 3 407.433 4.233 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@H](c2ccccc2)C1 ZINC000436930058 862107664 /nfs/dbraw/zinc/10/76/64/862107664.db2.gz FAAGNMAKPIUHHC-UPVQGACJSA-N -1 3 414.505 4.270 20 0 HIADHM Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c2n[nH]cc21 ZINC000436929685 862108301 /nfs/dbraw/zinc/10/83/01/862108301.db2.gz DABBPOLELDRQSI-NRFANRHFSA-N -1 3 414.465 4.077 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC(F)(F)c1ccccc1 ZINC000436934669 862112688 /nfs/dbraw/zinc/11/26/88/862112688.db2.gz YIMGWZIECSOQMK-OAQYLSRUSA-N -1 3 424.447 4.162 20 0 HIADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc([C@H]3CCCS3)no2)c1[O-] ZINC000436936213 862115038 /nfs/dbraw/zinc/11/50/38/862115038.db2.gz MVRHWRPEALDCND-QGZVFWFLSA-N -1 3 421.478 4.115 20 0 HIADHM Cc1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc(C)c1O ZINC000436938296 862116591 /nfs/dbraw/zinc/11/65/91/862116591.db2.gz UEOZIKCFTSSYQL-NRFANRHFSA-N -1 3 404.466 4.215 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1Oc1ccccc1 ZINC000436946209 862121970 /nfs/dbraw/zinc/12/19/70/862121970.db2.gz RAEFIWVLYJJZSJ-UHFFFAOYSA-N -1 3 416.477 4.219 20 0 HIADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436951553 862128080 /nfs/dbraw/zinc/12/80/80/862128080.db2.gz FXOBPKQDUXQMDB-MSOLQXFVSA-N -1 3 410.514 4.342 20 0 HIADHM COc1cc2c(cc1OC)CN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])CC2 ZINC000436952566 862130262 /nfs/dbraw/zinc/13/02/62/862130262.db2.gz JQINPBBFTWGTAG-UHFFFAOYSA-N -1 3 405.450 4.400 20 0 HIADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436955597 862135514 /nfs/dbraw/zinc/13/55/14/862135514.db2.gz LSAKNPNBAACXBF-FGZHOGPDSA-N -1 3 406.526 4.040 20 0 HIADHM O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc2c(c1[O-])CCCC2 ZINC000436961119 862140689 /nfs/dbraw/zinc/14/06/89/862140689.db2.gz FXOIJGNSKCDRTQ-UHFFFAOYSA-N -1 3 413.477 4.121 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000057125127 850554141 /nfs/dbraw/zinc/55/41/41/850554141.db2.gz AFZGBMAYCSWWGC-UHFFFAOYSA-N -1 3 417.462 4.299 20 0 HIADHM CC(C)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c([O-])c1 ZINC000057262743 850593521 /nfs/dbraw/zinc/59/35/21/850593521.db2.gz FCSQUNCFXSEVBL-HNNXBMFYSA-N -1 3 401.894 4.055 20 0 HIADHM CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436972045 862151432 /nfs/dbraw/zinc/15/14/32/862151432.db2.gz RBHYDGXUMQBDNC-INIZCTEOSA-N -1 3 419.319 4.206 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)C[C@@H](C)c3ccccc3)cs2)c1 ZINC000436975992 862153193 /nfs/dbraw/zinc/15/31/93/862153193.db2.gz BDGCPWITZDAALA-MRXNPFEDSA-N -1 3 423.538 4.214 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C(C)C)C3CCCC3)cs2)c1 ZINC000436982663 862162066 /nfs/dbraw/zinc/16/20/66/862162066.db2.gz YEFANLWJXOVLFN-UHFFFAOYSA-N -1 3 401.532 4.132 20 0 HIADHM O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436996694 862169908 /nfs/dbraw/zinc/16/99/08/862169908.db2.gz DTCBUQHHFLGQLV-UHFFFAOYSA-N -1 3 424.504 4.364 20 0 HIADHM Cc1ccc2c(c1)CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C2 ZINC000436998309 862171773 /nfs/dbraw/zinc/17/17/73/862171773.db2.gz YMZBFMHTWQQIGQ-XMMPIXPASA-N -1 3 414.505 4.147 20 0 HIADHM O=C(Nc1cccc(COCCOc2ccccc2)c1)c1c[n-]c2ccccc2c1=O ZINC000058479406 850835589 /nfs/dbraw/zinc/83/55/89/850835589.db2.gz UWNDGDRPFWHFHL-UHFFFAOYSA-N -1 3 414.461 4.376 20 0 HIADHM CS(=O)(=O)Nc1cccc(-c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)c1 ZINC000436999857 862175412 /nfs/dbraw/zinc/17/54/12/862175412.db2.gz SBMMVHWLVRIWSF-UHFFFAOYSA-N -1 3 421.478 4.072 20 0 HIADHM CCSc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000437006352 862179349 /nfs/dbraw/zinc/17/93/49/862179349.db2.gz VCORJZAHDHBULD-UHFFFAOYSA-N -1 3 419.934 4.148 20 0 HIADHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)[N-]NC(=O)Nc1ccccc1C ZINC000058861833 850946659 /nfs/dbraw/zinc/94/66/59/850946659.db2.gz XGMCLVDAJIEAHI-UHFFFAOYSA-N -1 3 408.405 4.398 20 0 HIADHM O=C(c1ccccc1[O-])N1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000059386889 851003436 /nfs/dbraw/zinc/00/34/36/851003436.db2.gz UBKPHKBZKQZXPS-UHFFFAOYSA-N -1 3 416.506 4.026 20 0 HIADHM CC[C@@H]1CCc2c(sc3[n-]c(CS(=O)(=O)c4ccc(Cl)cc4)nc(=O)c23)C1 ZINC000060486246 851116447 /nfs/dbraw/zinc/11/64/47/851116447.db2.gz XQZJLULABKXXGM-LLVKDONJSA-N -1 3 422.959 4.127 20 0 HIADHM CC1(C)CC[C@@H](NC(=O)N[N-]C(=O)c2ccccc2Br)c2ccccc21 ZINC000060574533 851151981 /nfs/dbraw/zinc/15/19/81/851151981.db2.gz DOWJNDSLTZDBIT-QGZVFWFLSA-N -1 3 416.319 4.206 20 0 HIADHM O=c1[n-]c(CSc2ncnc3sc4c(c32)CCC4)nc2c3ccccc3oc21 ZINC000061126674 851298286 /nfs/dbraw/zinc/29/82/86/851298286.db2.gz USQDJZOWDCQQNP-UHFFFAOYSA-N -1 3 406.492 4.455 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)CC3)ccc2C)cc1 ZINC000063275317 851648984 /nfs/dbraw/zinc/64/89/84/851648984.db2.gz FVIVRCPLZGRROJ-INIZCTEOSA-N -1 3 416.543 4.067 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H]3C(C)C)c2)cc1 ZINC000063815010 851770655 /nfs/dbraw/zinc/77/06/55/851770655.db2.gz UYDLWNYYXVPLSG-NRFANRHFSA-N -1 3 416.543 4.065 20 0 HIADHM CCCCc1ccc(NC(=S)N[N-]C(=O)c2ccc(CN(CC)CC)o2)cc1 ZINC000063875372 851783218 /nfs/dbraw/zinc/78/32/18/851783218.db2.gz NLJLUNBVGRXFDW-UHFFFAOYSA-N -1 3 402.564 4.095 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C4SCCS4)cc3)cc2)n1 ZINC000064359194 851878530 /nfs/dbraw/zinc/87/85/30/851878530.db2.gz PMLAXNDNFDXVFR-UHFFFAOYSA-N -1 3 409.536 4.476 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)n1 ZINC000064446802 851900333 /nfs/dbraw/zinc/90/03/33/851900333.db2.gz MJZPUDBCMGBSPW-UHFFFAOYSA-N -1 3 424.460 4.250 20 0 HIADHM CC(C)(C)c1ncc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)s1 ZINC000064456982 851901099 /nfs/dbraw/zinc/90/10/99/851901099.db2.gz UTNBJNUPUQONJF-UHFFFAOYSA-N -1 3 420.336 4.095 20 0 HIADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc2ccccc2c1 ZINC000064963653 852032770 /nfs/dbraw/zinc/03/27/70/852032770.db2.gz HFRAATOTISQBNA-UHFFFAOYSA-N -1 3 412.486 4.086 20 0 HIADHM CC(=O)Nc1ccc(OC(=O)c2n[n-]c(-c3ccccc3)c2Br)cc1 ZINC000065105629 852064494 /nfs/dbraw/zinc/06/44/94/852064494.db2.gz DEQNYGBAGVLNQD-UHFFFAOYSA-N -1 3 400.232 4.017 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCC1CCC(C)CC1 ZINC000065691095 852220381 /nfs/dbraw/zinc/22/03/81/852220381.db2.gz RUOVVCDJOUTCFJ-UHFFFAOYSA-N -1 3 418.534 4.491 20 0 HIADHM CCCCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(C)c1 ZINC000065729692 852237737 /nfs/dbraw/zinc/23/77/37/852237737.db2.gz YEJRQJMCVLWNAY-UHFFFAOYSA-N -1 3 422.522 4.252 20 0 HIADHM Cc1c(C(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)nnn1-c1cccc(C)c1 ZINC000065813573 852265303 /nfs/dbraw/zinc/26/53/03/852265303.db2.gz ZCWKTRZTKNYEJA-UHFFFAOYSA-N -1 3 410.890 4.308 20 0 HIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc2ccccc2n1Cc1ccccc1F ZINC000071949419 852442730 /nfs/dbraw/zinc/44/27/30/852442730.db2.gz LLIAPBXDIIPIFK-UHFFFAOYSA-N -1 3 403.339 4.218 20 0 HIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc2ccccc2n1Cc1ccccc1F ZINC000071949419 852442734 /nfs/dbraw/zinc/44/27/34/852442734.db2.gz LLIAPBXDIIPIFK-UHFFFAOYSA-N -1 3 403.339 4.218 20 0 HIADHM CC/C=C(\C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000072035456 852478237 /nfs/dbraw/zinc/47/82/37/852478237.db2.gz QRQCWNIVFWEQNK-FRKPEAEDSA-N -1 3 402.516 4.489 20 0 HIADHM Cc1cccc(NC(=O)c2c[n-]c3ccc(I)cc3c2=O)c1C ZINC000089688755 852544971 /nfs/dbraw/zinc/54/49/71/852544971.db2.gz DOGUZEJMNKOWCT-UHFFFAOYSA-N -1 3 418.234 4.002 20 0 HIADHM Cc1nn(C)c2sc(C(=O)[N-]c3nnc(SCc4cccs4)s3)cc12 ZINC000097012442 852574282 /nfs/dbraw/zinc/57/42/82/852574282.db2.gz WQQGVYKEGXVURK-UHFFFAOYSA-N -1 3 407.571 4.401 20 0 HIADHM O=c1[n-]c(CSc2nnc(C3CC3)n2-c2ccccc2)nc2c3ccccc3oc21 ZINC000104926267 852683391 /nfs/dbraw/zinc/68/33/91/852683391.db2.gz AQDFFEMCIFQRKM-UHFFFAOYSA-N -1 3 415.478 4.420 20 0 HIADHM O=C(c1cc(F)ccc1F)C1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000108143413 852825007 /nfs/dbraw/zinc/82/50/07/852825007.db2.gz NRPFQMYLFVXIKQ-UHFFFAOYSA-N -1 3 423.419 4.042 20 0 HIADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c([O-])c1 ZINC000108146786 852825768 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CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)nc2)n1 ZINC000302502649 854576903 /nfs/dbraw/zinc/57/69/03/854576903.db2.gz PFNZNSBDVWZKRV-SJORKVTESA-N -1 3 413.522 4.054 20 0 HIADHM Cc1ccc(-c2nc(N3CCc4nc[n-]c(=O)c4C3)nc3sc4c(c32)CCC4)cc1 ZINC000302668567 854600932 /nfs/dbraw/zinc/60/09/32/854600932.db2.gz CTHAZYMGJGCYJF-UHFFFAOYSA-N -1 3 415.522 4.214 20 0 HIADHM CCCCO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000302998915 854716270 /nfs/dbraw/zinc/71/62/70/854716270.db2.gz HTHRIELLBIPPIU-QGZVFWFLSA-N -1 3 404.532 4.248 20 0 HIADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1coc(Br)c1 ZINC000303065100 854745513 /nfs/dbraw/zinc/74/55/13/854745513.db2.gz YMKOBEVLSUNEKE-UHFFFAOYSA-N -1 3 402.320 4.500 20 0 HIADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000303123098 854771546 /nfs/dbraw/zinc/77/15/46/854771546.db2.gz MTQIZMNNYREMFF-KRWDZBQOSA-N -1 3 416.477 4.431 20 0 HIADHM CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000303530655 855017604 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Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000409999823 855771442 /nfs/dbraw/zinc/77/14/42/855771442.db2.gz JGUWDAFJYZHPHD-UHFFFAOYSA-N -1 3 407.518 4.162 20 0 HIADHM Cc1nc2cc(F)cc(C(=O)[N-]c3nnc(Cc4cccc(F)c4)s3)c2nc1C ZINC000410046172 855797598 /nfs/dbraw/zinc/79/75/98/855797598.db2.gz JOSZMBOYIBNIQU-UHFFFAOYSA-N -1 3 411.437 4.219 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NC[C@H](c3ccccc3)C(C)(C)CO)cc2)cc(=O)[n-]1 ZINC000437394604 862732605 /nfs/dbraw/zinc/73/26/05/862732605.db2.gz MJVYUJSAQNPRMG-HXUWFJFHSA-N -1 3 420.513 4.081 20 0 HIADHM CCCc1nc(C)c(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)o1 ZINC000426603696 856369751 /nfs/dbraw/zinc/36/97/51/856369751.db2.gz DFWMYHMXCBSFEN-UHFFFAOYSA-N -1 3 415.251 4.200 20 0 HIADHM COc1cc(Cl)c(CNC2CCN(c3ccc(C(=O)[O-])cc3)CC2)cc1Cl ZINC000426665285 856402077 /nfs/dbraw/zinc/40/20/77/856402077.db2.gz VTWWUUDWFWYKSV-UHFFFAOYSA-N -1 3 409.313 4.459 20 0 HIADHM Cc1ccc(C[C@@H](CNCc2csc(COc3ccc(C)cc3)n2)C(=O)[O-])cc1 ZINC000426673084 856405913 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CCOc1c(Br)cc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1OC ZINC000426760728 856462307 /nfs/dbraw/zinc/46/23/07/856462307.db2.gz UGAKADVZMLVVCZ-ACJLOTCBSA-N -1 3 422.319 4.408 20 0 HIADHM O=C([O-])[C@@H](NCc1csc(COc2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000426767885 856466050 /nfs/dbraw/zinc/46/60/50/856466050.db2.gz RNTJZXLQAHNJRD-YYAZDPENSA-N -1 3 412.555 4.481 20 0 HIADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc(Br)c1O ZINC000426798977 856485465 /nfs/dbraw/zinc/48/54/65/856485465.db2.gz GUVUVFPPXXUFGZ-HNNXBMFYSA-N -1 3 414.683 4.041 20 0 HIADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OCc3csc(C)n3)cc2)c1 ZINC000426802939 856486592 /nfs/dbraw/zinc/48/65/92/856486592.db2.gz YXSWBVOMGJTOTA-NRFANRHFSA-N -1 3 412.511 4.345 20 0 HIADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(CC)cc2)cc(Br)c1OC ZINC000426816532 856494298 /nfs/dbraw/zinc/49/42/98/856494298.db2.gz LFGTYPPNUBYBTP-GOSISDBHSA-N -1 3 422.319 4.334 20 0 HIADHM O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)NCc1ncc(-c2ccccc2)s1 ZINC000426821169 856497351 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421.769 4.225 20 0 HIADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1nc(C)cs1 ZINC000429836246 857902955 /nfs/dbraw/zinc/90/29/55/857902955.db2.gz HFDNSWRPNRFDPY-CQSZACIVSA-N -1 3 423.785 4.471 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)[C@H]3OCCc4sccc43)c2)n1 ZINC000429837721 857904618 /nfs/dbraw/zinc/90/46/18/857904618.db2.gz MJFIYHBQLSKGAU-ZUOKHONESA-N -1 3 409.511 4.362 20 0 HIADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccn1 ZINC000429859738 857915248 /nfs/dbraw/zinc/91/52/48/857915248.db2.gz JXEPHGCUKCGJQT-IBGZPJMESA-N -1 3 423.321 4.465 20 0 HIADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC(C)(C)C1 ZINC000430564264 858220558 /nfs/dbraw/zinc/22/05/58/858220558.db2.gz LCWZYEKGXSULHT-JTQLQIEISA-N -1 3 411.727 4.452 20 0 HIADHM CC[C@@H](CSC)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430578791 858224728 /nfs/dbraw/zinc/22/47/28/858224728.db2.gz BKTSIUZUUXBRAL-JTQLQIEISA-N -1 3 417.756 4.158 20 0 HIADHM O=C(NCC12CCC(CC1)C2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430592675 858229924 /nfs/dbraw/zinc/22/99/24/858229924.db2.gz QZHWPMDALCFEHM-UHFFFAOYSA-N -1 3 409.711 4.254 20 0 HIADHM C[C@H]1CCC[C@H](C)C1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430604464 858234339 /nfs/dbraw/zinc/23/43/39/858234339.db2.gz QHTLSYPHPXKOAP-UWVGGRQHSA-N -1 3 411.727 4.499 20 0 HIADHM CSCC[C@@H](C)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430605632 858234631 /nfs/dbraw/zinc/23/46/31/858234631.db2.gz SZXAIROHDWHTAV-SECBINFHSA-N -1 3 417.756 4.158 20 0 HIADHM CC(C)Cn1ccnc1NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430639438 858244825 /nfs/dbraw/zinc/24/48/25/858244825.db2.gz FMSBJDORJJJFDH-UHFFFAOYSA-N -1 3 402.454 4.425 20 0 HIADHM O=C(Nc1ccc2c(c1)CC(=O)N2)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430658993 858253586 /nfs/dbraw/zinc/25/35/86/858253586.db2.gz KQOZKRQSPIXWQQ-UHFFFAOYSA-N -1 3 411.417 4.067 20 0 HIADHM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000430893772 858357497 /nfs/dbraw/zinc/35/74/97/858357497.db2.gz HMQOPRWZUHTIOK-LJQANCHMSA-N -1 3 407.283 4.167 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](C[C@@H](C)O)c1ccccc1 ZINC000431285680 858547038 /nfs/dbraw/zinc/54/70/38/858547038.db2.gz ZXECELNSJKKKFZ-CJNGLKHVSA-N -1 3 407.919 4.228 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CC(C)(C)c3ccccc32)cc1OC ZINC000431376603 858584879 /nfs/dbraw/zinc/58/48/79/858584879.db2.gz MZIBICZFWAKHJH-GOSISDBHSA-N -1 3 417.531 4.001 20 0 HIADHM Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)cc2)c1 ZINC000432191144 859038523 /nfs/dbraw/zinc/03/85/23/859038523.db2.gz HRANLBQMHNINEU-UHFFFAOYSA-N -1 3 406.463 4.430 20 0 HIADHM O=S(=O)([N-][C@H](c1ccccc1)C1(CO)CCC1)c1c(Cl)cccc1Cl ZINC000432289117 859086908 /nfs/dbraw/zinc/08/69/08/859086908.db2.gz LNFHCTZKVJAORU-QGZVFWFLSA-N -1 3 400.327 4.176 20 0 HIADHM O=C(NC1(c2ccc(Br)cc2)CCOCC1)c1cc([O-])ccc1Cl ZINC000432413939 859153042 /nfs/dbraw/zinc/15/30/42/859153042.db2.gz PBRIIZJXNUXDPJ-UHFFFAOYSA-N -1 3 410.695 4.244 20 0 HIADHM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000432590933 859243392 /nfs/dbraw/zinc/24/33/92/859243392.db2.gz CVLBUJUPQJKUSD-HNNXBMFYSA-N -1 3 402.491 4.031 20 0 HIADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1C ZINC000432629866 859262480 /nfs/dbraw/zinc/26/24/80/859262480.db2.gz BNJSPCLDFFKOOZ-UHFFFAOYSA-N -1 3 405.520 4.033 20 0 HIADHM COCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1Cl ZINC000432762880 859341292 /nfs/dbraw/zinc/34/12/92/859341292.db2.gz LBYFQTKZMWZIBU-UHFFFAOYSA-N -1 3 420.314 4.136 20 0 HIADHM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432780922 859356795 /nfs/dbraw/zinc/35/67/95/859356795.db2.gz LUYHZGQXICIDJY-UHFFFAOYSA-N -1 3 409.511 4.114 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NCc3cc(F)c(Cl)cc3F)cc2)cc(=O)[n-]1 ZINC000432954666 859446283 /nfs/dbraw/zinc/44/62/83/859446283.db2.gz OOUDRWPKIRGBEI-UHFFFAOYSA-N -1 3 404.804 4.411 20 0 HIADHM O=S(=O)([N-][C@H](c1cc(F)ccc1F)C(F)F)c1ccccc1Br ZINC000432964039 859452090 /nfs/dbraw/zinc/45/20/90/859452090.db2.gz CLOLBRSRASGQFX-CYBMUJFWSA-N -1 3 412.202 4.012 20 0 HIADHM COc1ccc(Br)cc1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000433149945 859541835 /nfs/dbraw/zinc/54/18/35/859541835.db2.gz KKYQTGVZOXFAPS-UHFFFAOYSA-N -1 3 408.676 4.359 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(F)cc3OCC(F)(F)F)c[n-]c12 ZINC000433357030 859658229 /nfs/dbraw/zinc/65/82/29/859658229.db2.gz UMHRZEVYNQAVBT-UHFFFAOYSA-N -1 3 412.314 4.308 20 0 HIADHM CCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)C2 ZINC000433661194 859828264 /nfs/dbraw/zinc/82/82/64/859828264.db2.gz UKDIYNDZEBDOEU-UHFFFAOYSA-N -1 3 404.470 4.147 20 0 HIADHM CC1(C)Cc2nc([N-]C(=O)c3cc(-c4ccc5c(c4)CCO5)no3)sc2C(=O)C1 ZINC000433830695 859918429 /nfs/dbraw/zinc/91/84/29/859918429.db2.gz YHUBGBPTPPBMIX-UHFFFAOYSA-N -1 3 409.467 4.140 20 0 HIADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c(C)o1 ZINC000434084002 860091691 /nfs/dbraw/zinc/09/16/91/860091691.db2.gz GHBQDSBTAUNBJT-UHFFFAOYSA-N -1 3 420.874 4.194 20 0 HIADHM O=S(=O)([N-][C@@H]1CCSc2ccc(F)cc21)c1cc(F)ccc1Br ZINC000434960868 860575297 /nfs/dbraw/zinc/57/52/97/860575297.db2.gz ZAAINUQXNBRRQQ-CYBMUJFWSA-N -1 3 420.300 4.243 20 0 HIADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)s1 ZINC000467763229 881582039 /nfs/dbraw/zinc/58/20/39/881582039.db2.gz HMDYJZAWEPSZQF-UHFFFAOYSA-N -1 3 410.590 4.047 20 0 HIADHM Cc1c(NC(=O)NCc2ccc([O-])c(Br)c2)cnn1-c1ccccc1F ZINC000435541965 860856136 /nfs/dbraw/zinc/85/61/36/860856136.db2.gz MIOGFKDNCPKAHN-UHFFFAOYSA-N -1 3 419.254 4.110 20 0 HIADHM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000467769771 881588309 /nfs/dbraw/zinc/58/83/09/881588309.db2.gz KHPVSYQRDPHFJG-LJQANCHMSA-N -1 3 409.486 4.268 20 0 HIADHM CCCOc1ccc2c(c1)CCN(C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000435779397 861055177 /nfs/dbraw/zinc/05/51/77/861055177.db2.gz XBLDHNQTRNVKQT-UHFFFAOYSA-N -1 3 419.319 4.211 20 0 HIADHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000467790517 881613733 /nfs/dbraw/zinc/61/37/33/881613733.db2.gz UYCAAASZKVRNJH-BBRMVZONSA-N -1 3 416.362 4.018 20 0 HIADHM Cc1ccc(C(=O)N2CCC=C(C)C2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000437963206 863335207 /nfs/dbraw/zinc/33/52/07/863335207.db2.gz ZWXSSFBWKGMKCW-UHFFFAOYSA-N -1 3 422.909 4.381 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3[C@H](C)CC[C@H]3C)ccc2C)cc1 ZINC000467832930 881666872 /nfs/dbraw/zinc/66/68/72/881666872.db2.gz FEXGGDJQSAUAKW-IAGOWNOFSA-N -1 3 416.543 4.208 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sc(Cc4ccc(F)cc4)nc3C)nc21 ZINC000438358005 863823306 /nfs/dbraw/zinc/82/33/06/863823306.db2.gz MZMDZLKWEHIULG-UHFFFAOYSA-N -1 3 424.457 4.097 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Br)ccc3Cl)nc21 ZINC000438364998 863827283 /nfs/dbraw/zinc/82/72/83/863827283.db2.gz LQWFDBZKCHNGOI-UHFFFAOYSA-N -1 3 408.639 4.018 20 0 HIADHM CC1CCN(S(=O)(=O)c2ccc(C(=O)[N-]c3ccsc3Cl)s2)CC1 ZINC000438570731 864003412 /nfs/dbraw/zinc/00/34/12/864003412.db2.gz WTRUGTSHGGTZCK-UHFFFAOYSA-N -1 3 404.966 4.136 20 0 HIADHM CC(C)(C)c1ccc(C(C)(C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000438829580 864323577 /nfs/dbraw/zinc/32/35/77/864323577.db2.gz QWQBBZHPKIKSRN-UHFFFAOYSA-N -1 3 422.569 4.388 20 0 HIADHM O=C(Nc1ccc(OC2CCCCC2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439059813 864509135 /nfs/dbraw/zinc/50/91/35/864509135.db2.gz OGERXJJSJBVUDI-NRFANRHFSA-N -1 3 408.498 4.347 20 0 HIADHM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000439058633 864509634 /nfs/dbraw/zinc/50/96/34/864509634.db2.gz MCZBKMLCONHABD-MRXNPFEDSA-N -1 3 404.466 4.209 20 0 HIADHM O=C(Nc1nc(/C=C\c2ccccc2)cs1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439061970 864511598 /nfs/dbraw/zinc/51/15/98/864511598.db2.gz WSNJBRNMGYPCMH-SYGIOELKSA-N -1 3 419.506 4.262 20 0 HIADHM CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC[C@@H]1c1ccccc1 ZINC000439061547 864512186 /nfs/dbraw/zinc/51/21/86/864512186.db2.gz UBKVKBXBTPWFBL-KAGYGMCKSA-N -1 3 406.526 4.039 20 0 HIADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1F ZINC000467941966 881812651 /nfs/dbraw/zinc/81/26/51/881812651.db2.gz NBUSJSOJMYIENI-UHFFFAOYSA-N -1 3 401.740 4.446 20 0 HIADHM CSc1ccc(-c2nsc([N-]C(=O)c3nnn(-c4cccc(C)c4)c3C)n2)cc1 ZINC000440463030 865767609 /nfs/dbraw/zinc/76/76/09/865767609.db2.gz DGIRLIQTOVADEL-UHFFFAOYSA-N -1 3 422.539 4.377 20 0 HIADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442740834 867658286 /nfs/dbraw/zinc/65/82/86/867658286.db2.gz MEGIJFIQLHHMQI-JTQLQIEISA-N -1 3 412.355 4.029 20 0 HIADHM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1ccc(F)cc1Cl ZINC000442838885 867693635 /nfs/dbraw/zinc/69/36/35/867693635.db2.gz UHZSSBSFWIOBMX-UHFFFAOYSA-N -1 3 400.603 4.321 20 0 HIADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443235492 867883285 /nfs/dbraw/zinc/88/32/85/867883285.db2.gz UZPRJEHROGFPQH-QGZVFWFLSA-N -1 3 422.959 4.256 20 0 HIADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000443253860 867885777 /nfs/dbraw/zinc/88/57/77/867885777.db2.gz TVZUXEDUQIEWHO-CYBMUJFWSA-N -1 3 416.952 4.039 20 0 HIADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000443586801 868141920 /nfs/dbraw/zinc/14/19/20/868141920.db2.gz YJFGXYKFJJWJAO-HNNXBMFYSA-N -1 3 411.889 4.220 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)c1nc(-c2ccccc2)cs1 ZINC000444067574 868601283 /nfs/dbraw/zinc/60/12/83/868601283.db2.gz DIHTZODTSFVBLF-OAHLLOKOSA-N -1 3 422.535 4.307 20 0 HIADHM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000444374274 868797895 /nfs/dbraw/zinc/79/78/95/868797895.db2.gz YOCQMNYLCDMREG-WBMJQRKESA-N -1 3 417.387 4.045 20 0 HIADHM CC(F)(F)c1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000444430882 868826460 /nfs/dbraw/zinc/82/64/60/868826460.db2.gz FXWNULSBULIMCJ-UHFFFAOYSA-N -1 3 423.416 4.319 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444610379 868905331 /nfs/dbraw/zinc/90/53/31/868905331.db2.gz ODKHJMCMJIUTBS-UHFFFAOYSA-N -1 3 415.533 4.440 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3ccc(F)c(C)c3)nc(=O)c2c1C ZINC000444729325 868980258 /nfs/dbraw/zinc/98/02/58/868980258.db2.gz FVXVKZSQXLOLLN-CYBMUJFWSA-N -1 3 417.506 4.110 20 0 HIADHM CCOC(=O)c1nc(C2CCN(C(=O)c3sccc3-c3ccc(C)cc3)CC2)n[n-]1 ZINC000444758324 868987907 /nfs/dbraw/zinc/98/79/07/868987907.db2.gz XXFJPGKDYUDZCN-UHFFFAOYSA-N -1 3 424.526 4.038 20 0 HIADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3sccc3-c3ccc(C)cc3)CC2)[n-]1 ZINC000444758324 868987918 /nfs/dbraw/zinc/98/79/18/868987918.db2.gz XXFJPGKDYUDZCN-UHFFFAOYSA-N -1 3 424.526 4.038 20 0 HIADHM COc1cc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc(OC)c1[O-] ZINC000444757944 868988538 /nfs/dbraw/zinc/98/85/38/868988538.db2.gz GRCDBBGDUYRHCG-OAHLLOKOSA-N -1 3 407.747 4.235 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000468343116 882278751 /nfs/dbraw/zinc/27/87/51/882278751.db2.gz XUZZIVUFAGRCLD-UHFFFAOYSA-N -1 3 410.411 4.222 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3nc(-c4ccoc4)no3)cc2)cc1 ZINC000445454943 869532504 /nfs/dbraw/zinc/53/25/04/869532504.db2.gz 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CCSCCCc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000445769001 869812648 /nfs/dbraw/zinc/81/26/48/869812648.db2.gz YAUPLVRGRJDSNY-UHFFFAOYSA-N -1 3 421.519 4.362 20 0 HIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000446890325 870809776 /nfs/dbraw/zinc/80/97/76/870809776.db2.gz JHVJCIJHSHCYRX-QFIPXVFZSA-N -1 3 420.488 4.282 20 0 HIADHM COc1cc(Oc2ccccc2)ccc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000446898137 870815659 /nfs/dbraw/zinc/81/56/59/870815659.db2.gz JOSUPYBTKZMDQY-UHFFFAOYSA-N -1 3 403.394 4.015 20 0 HIADHM CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000447074175 870955804 /nfs/dbraw/zinc/95/58/04/870955804.db2.gz CUKDCAQGTRCTNQ-CQSZACIVSA-N -1 3 420.303 4.149 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1C(=O)N(C)C(C)C ZINC000447255184 871132851 /nfs/dbraw/zinc/13/28/51/871132851.db2.gz FKBCDZXTXCDQDS-UHFFFAOYSA-N -1 3 418.559 4.372 20 0 HIADHM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(-c4ccco4)cc3F)ccc2N1 ZINC000447275178 871164258 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ZINC000474336971 889210259 /nfs/dbraw/zinc/21/02/59/889210259.db2.gz KICFUKZAINDONY-UHFFFAOYSA-N -1 3 405.483 4.088 20 0 HIADHM CC(C)c1nc(Cn2cc(C(=O)Nc3cc(Cl)ccc3[O-])ccc2=O)cs1 ZINC000474535967 889410351 /nfs/dbraw/zinc/41/03/51/889410351.db2.gz RXFMTHJRLYKAMJ-UHFFFAOYSA-N -1 3 403.891 4.088 20 0 HIADHM Cc1sc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)nc1-c1c(F)cc(F)cc1F ZINC000504743968 913481428 /nfs/dbraw/zinc/48/14/28/913481428.db2.gz ZIZIGBQKTHLFDT-UHFFFAOYSA-N -1 3 422.432 4.220 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c(Br)c1 ZINC000475822894 890756916 /nfs/dbraw/zinc/75/69/16/890756916.db2.gz XXSAJVRIPSKTOF-UHFFFAOYSA-N -1 3 418.284 4.185 20 0 HIADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)c1 ZINC000475835037 890768578 /nfs/dbraw/zinc/76/85/78/890768578.db2.gz RINNQZXVQKIWPA-UHFFFAOYSA-N -1 3 416.282 4.174 20 0 HIADHM COc1cc(OC)c(OC)c2[nH]c(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cc21 ZINC000476167211 891095557 /nfs/dbraw/zinc/09/55/57/891095557.db2.gz RLGZSHLVANWXNX-UHFFFAOYSA-N 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Cc1nc(C[N-]S(=O)(=O)c2ccc3ncsc3c2)oc1-c1ccc(Cl)cc1 ZINC000476349075 891253130 /nfs/dbraw/zinc/25/31/30/891253130.db2.gz NJYMUFLJFYLQQF-UHFFFAOYSA-N -1 3 419.915 4.392 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)COC(c3ccccc3)c3ccccc3)nc21 ZINC000477846498 892905082 /nfs/dbraw/zinc/90/50/82/892905082.db2.gz HYKKZFQLDOZCKT-UHFFFAOYSA-N -1 3 415.449 4.094 20 0 HIADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000478182477 893345426 /nfs/dbraw/zinc/34/54/26/893345426.db2.gz OGPCWNKUZKCSQQ-CYBMUJFWSA-N -1 3 415.262 4.059 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)C[C@H](C)CC)c2)cc1 ZINC000478206088 893366955 /nfs/dbraw/zinc/36/69/55/893366955.db2.gz HMGZGVILENWIEJ-OAHLLOKOSA-N -1 3 420.531 4.269 20 0 HIADHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3cccc(Cl)c3F)[n-]c(=O)c21 ZINC000479208483 894472624 /nfs/dbraw/zinc/47/26/24/894472624.db2.gz SMLHSYIVBHYACL-SECBINFHSA-N -1 3 407.854 4.471 20 0 HIADHM COc1cc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1[O-] ZINC000479279717 894556828 /nfs/dbraw/zinc/55/68/28/894556828.db2.gz XKCRXMNAPSIJCL-HNNXBMFYSA-N -1 3 420.465 4.153 20 0 HIADHM CCc1noc2ncc(S(=O)(=O)[N-]c3cc4sc(C)nc4cc3Cl)cc12 ZINC000479287820 894568682 /nfs/dbraw/zinc/56/86/82/894568682.db2.gz SEQPNZLSAVIWHH-UHFFFAOYSA-N -1 3 408.892 4.158 20 0 HIADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)cc1C ZINC000479289875 894570568 /nfs/dbraw/zinc/57/05/68/894570568.db2.gz VSUGUQDRKCNDAN-UHFFFAOYSA-N -1 3 410.904 4.154 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](C)C(F)(F)F)c2)cc1 ZINC000479377322 894679196 /nfs/dbraw/zinc/67/91/96/894679196.db2.gz KQSJWKHCAVMJQE-CQSZACIVSA-N -1 3 414.449 4.032 20 0 HIADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CN(C)C(=O)N2 ZINC000479535319 894839696 /nfs/dbraw/zinc/83/96/96/894839696.db2.gz GYAVGHNXNOXOOZ-UHFFFAOYSA-N -1 3 401.532 4.379 20 0 HIADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(Cl)c1)c1ccc(CC(F)(F)F)cc1 ZINC000479622440 894890979 /nfs/dbraw/zinc/89/09/79/894890979.db2.gz UVXXLDRMBBNQSV-UHFFFAOYSA-N -1 3 415.824 4.431 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)s1 ZINC000479945289 895299664 /nfs/dbraw/zinc/29/96/64/895299664.db2.gz AFVRAABDXUBMFN-ZDUSSCGKSA-N -1 3 420.325 4.150 20 0 HIADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(C)o1 ZINC000479992811 895344923 /nfs/dbraw/zinc/34/49/23/895344923.db2.gz VTKMRRSKVOCMLL-ZDUSSCGKSA-N -1 3 411.829 4.316 20 0 HIADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1csc(-c2ccc(F)cc2)n1 ZINC000480131642 895508453 /nfs/dbraw/zinc/50/84/53/895508453.db2.gz DDPVHGXWAGKWEE-UHFFFAOYSA-N -1 3 413.865 4.495 20 0 HIADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cnc(-c2ccsc2)s1 ZINC000480147747 895530417 /nfs/dbraw/zinc/53/04/17/895530417.db2.gz WVMAKFDZWQMPID-UHFFFAOYSA-N -1 3 401.904 4.417 20 0 HIADHM Cc1csc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1Cl ZINC000480163835 895550997 /nfs/dbraw/zinc/55/09/97/895550997.db2.gz MXJWAEGIMCEGLA-UHFFFAOYSA-N -1 3 412.842 4.353 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@H](C)[C@H]3C)ccc2C)cc1 ZINC000480165564 895553567 /nfs/dbraw/zinc/55/35/67/895553567.db2.gz GCMHPESYBJRRMT-DOTOQJQBSA-N -1 3 416.543 4.065 20 0 HIADHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000480607316 895973012 /nfs/dbraw/zinc/97/30/12/895973012.db2.gz BACJLCZNYCEFCN-HNNXBMFYSA-N -1 3 402.343 4.310 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc1OC ZINC000480821505 896195457 /nfs/dbraw/zinc/19/54/57/896195457.db2.gz MJQVORKAAWDYQV-PBHICJAKSA-N -1 3 421.519 4.055 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000480858520 896224347 /nfs/dbraw/zinc/22/43/47/896224347.db2.gz SLCBYEZUJJPTOY-HNNXBMFYSA-N -1 3 407.923 4.008 20 0 HIADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1nc(C(F)(F)F)cs1 ZINC000481020424 896349120 /nfs/dbraw/zinc/34/91/20/896349120.db2.gz QGFFAKFCWMUNBY-QMMMGPOBSA-N -1 3 419.372 4.005 20 0 HIADHM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000481096423 896419130 /nfs/dbraw/zinc/41/91/30/896419130.db2.gz WQXMDDAQICOKGN-CQSZACIVSA-N -1 3 402.516 4.104 20 0 HIADHM Cc1nc(C)c(CCC(=O)N[C@](C)(c2ccc(Br)cc2)C(C)C)c(=O)[n-]1 ZINC000481312437 896660308 /nfs/dbraw/zinc/66/03/08/896660308.db2.gz IRQPUBGTGJCHDE-FQEVSTJZSA-N -1 3 420.351 4.182 20 0 HIADHM O=C(NCc1ccc([O-])c(F)c1)NCc1ccc(Br)cc1C(F)(F)F ZINC000481573360 896952115 /nfs/dbraw/zinc/95/21/15/896952115.db2.gz TZPFHBFSKJMMDQ-UHFFFAOYSA-N -1 3 421.188 4.312 20 0 HIADHM Cc1nc(C)c(CC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)c(=O)[n-]1 ZINC000505458478 914128140 /nfs/dbraw/zinc/12/81/40/914128140.db2.gz AWCGRPIFLCRSGZ-QPPBQGQZSA-N -1 3 401.510 4.319 20 0 HIADHM Cc1nc(C)c(CC(=O)N[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)c(=O)[n-]1 ZINC000505458479 914128643 /nfs/dbraw/zinc/12/86/43/914128643.db2.gz AWCGRPIFLCRSGZ-URXFXBBRSA-N -1 3 401.510 4.319 20 0 HIADHM Cc1cc(Cl)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000481802622 897179318 /nfs/dbraw/zinc/17/93/18/897179318.db2.gz SOPZXWUUOORPOF-UHFFFAOYSA-N -1 3 406.813 4.291 20 0 HIADHM O=C(NCc1ccc(C(F)(F)F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000482080907 897519568 /nfs/dbraw/zinc/51/95/68/897519568.db2.gz WNQZQBWMHZCIMW-UHFFFAOYSA-N -1 3 403.198 4.173 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccccc1OC(F)(F)F ZINC000482086139 897526109 /nfs/dbraw/zinc/52/61/09/897526109.db2.gz CZEDCXGSXDMSNV-UHFFFAOYSA-N -1 3 419.197 4.053 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2C)C(C)C)cc1Cl ZINC000482086373 897526622 /nfs/dbraw/zinc/52/66/22/897526622.db2.gz XSOMGADFOFGBPS-IBGZPJMESA-N -1 3 412.914 4.422 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000482241239 897722168 /nfs/dbraw/zinc/72/21/68/897722168.db2.gz HUDHPOSNGZBRAL-UHFFFAOYSA-N -1 3 419.388 4.137 20 0 HIADHM CC(C)COc1ccccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482277827 897767780 /nfs/dbraw/zinc/76/77/80/897767780.db2.gz VUYGTHBXDCLUAT-UHFFFAOYSA-N -1 3 407.308 4.189 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000482351581 897864715 /nfs/dbraw/zinc/86/47/15/897864715.db2.gz QAEXDJPXQWHCAT-HNNXBMFYSA-N -1 3 409.255 4.007 20 0 HIADHM COc1ccc(-c2nc([N-]C(=O)c3ccc(Oc4ccccc4)o3)n[nH]2)c(OC)c1 ZINC000482532106 898119445 /nfs/dbraw/zinc/11/94/45/898119445.db2.gz KIONAEAMZKDIDI-UHFFFAOYSA-N -1 3 406.398 4.127 20 0 HIADHM Cc1cc(N2CCCC2)ccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482681110 898281702 /nfs/dbraw/zinc/28/17/02/898281702.db2.gz HHJREJXFTNBVHW-UHFFFAOYSA-N -1 3 404.308 4.385 20 0 HIADHM O=C(CCc1ccc(F)cc1F)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000505549028 914249162 /nfs/dbraw/zinc/24/91/62/914249162.db2.gz IBOOGOGCGJJQCZ-UHFFFAOYSA-N -1 3 422.859 4.134 20 0 HIADHM CCc1cccc(CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000505550997 914253359 /nfs/dbraw/zinc/25/33/59/914253359.db2.gz QJAKESRVQZIQEO-UHFFFAOYSA-N -1 3 400.906 4.028 20 0 HIADHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccccc2)cc1 ZINC000482930548 898551573 /nfs/dbraw/zinc/55/15/73/898551573.db2.gz UJGMMPFDMJFNDU-LBPRGKRZSA-N -1 3 405.380 4.176 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(OCC(F)(F)F)c1 ZINC000482931772 898553379 /nfs/dbraw/zinc/55/33/79/898553379.db2.gz UCRSUXYIUXZMBV-UHFFFAOYSA-N -1 3 419.197 4.418 20 0 HIADHM COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483089581 898775923 /nfs/dbraw/zinc/77/59/23/898775923.db2.gz OFQMIPVEGHZCOH-GFCCVEGCSA-N -1 3 419.835 4.072 20 0 HIADHM COc1cc(C(=O)N[C@@H](C)c2ccc(OCCC(C)C)c(OC)c2)cc(OC)c1[O-] ZINC000483159824 898831360 /nfs/dbraw/zinc/83/13/60/898831360.db2.gz RUUBKLKGVBQAPS-HNNXBMFYSA-N -1 3 417.502 4.334 20 0 HIADHM COc1cc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc(OC)c1[O-] ZINC000483245049 898888137 /nfs/dbraw/zinc/88/81/37/898888137.db2.gz KOSQNRSRMZCIIR-OAHLLOKOSA-N -1 3 406.276 4.149 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000483282333 898918915 /nfs/dbraw/zinc/91/89/15/898918915.db2.gz VFOUKWGTVYVSBQ-SNVBAGLBSA-N -1 3 424.314 4.051 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCC(F)(F)C2)cc1 ZINC000483348595 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416.919 4.276 20 0 HIADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(S(=O)(=O)N[C@H](C)CC)cc1 ZINC000484931452 900304191 /nfs/dbraw/zinc/30/41/91/900304191.db2.gz CZEUUEQONJKPSA-CYBMUJFWSA-N -1 3 410.536 4.267 20 0 HIADHM Cc1noc2nc(C3CC3)cc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)c12 ZINC000485087407 900401105 /nfs/dbraw/zinc/40/11/05/900401105.db2.gz BDOODYCFYZFKSX-UHFFFAOYSA-N -1 3 400.398 4.192 20 0 HIADHM COc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)ccc1OC(F)F ZINC000485096894 900408084 /nfs/dbraw/zinc/40/80/84/900408084.db2.gz QHIZJNMILJAYFG-UHFFFAOYSA-N -1 3 400.341 4.080 20 0 HIADHM COc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)ccc1OC(F)F ZINC000485096894 900408092 /nfs/dbraw/zinc/40/80/92/900408092.db2.gz QHIZJNMILJAYFG-UHFFFAOYSA-N -1 3 400.341 4.080 20 0 HIADHM CC(=O)c1ccc(OCCCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485106801 900414048 /nfs/dbraw/zinc/41/40/48/900414048.db2.gz PHQVSTCVNMRTLV-UHFFFAOYSA-N -1 3 404.426 4.218 20 0 HIADHM COc1ccc(C[C@@H](C)C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1OC 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20 0 HIADHM Cc1cc(CS(=O)(=O)[N-][C@H](c2ccccc2Cl)c2cc(F)ccc2F)on1 ZINC000485907908 901135431 /nfs/dbraw/zinc/13/54/31/901135431.db2.gz QHLQCKMPQVTUKM-GOSISDBHSA-N -1 3 412.845 4.124 20 0 HIADHM O=c1c(Cl)c(/C=C/c2c(F)ccc([O-])c2F)nc2ccc(Br)cn12 ZINC000486025798 901231861 /nfs/dbraw/zinc/23/18/61/901231861.db2.gz CQDYULSMAKSMAW-DUXPYHPUSA-N -1 3 413.605 4.265 20 0 HIADHM O=c1c(Cl)c(/C=C\c2c(F)ccc([O-])c2F)nc2ccc(Br)cn12 ZINC000486025804 901231920 /nfs/dbraw/zinc/23/19/20/901231920.db2.gz CQDYULSMAKSMAW-RQOWECAXSA-N -1 3 413.605 4.265 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Br)c(C)cc2C)cc1OC ZINC000486130685 901317743 /nfs/dbraw/zinc/31/77/43/901317743.db2.gz TWOMENOJPJWTFW-UHFFFAOYSA-N -1 3 414.321 4.192 20 0 HIADHM CC(C)Cn1ncnc1CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000486170978 901357442 /nfs/dbraw/zinc/35/74/42/901357442.db2.gz DTUUCBBXVXTDQM-UHFFFAOYSA-N -1 3 401.517 4.338 20 0 HIADHM CCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@@H](C)c1cccc(OC)c1 ZINC000486421082 901579153 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HIADHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccccc3F)c2)c(F)cc1F ZINC000486859025 901904045 /nfs/dbraw/zinc/90/40/45/901904045.db2.gz VRFPFZZBHRZWLY-UHFFFAOYSA-N -1 3 408.401 4.078 20 0 HIADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)n1 ZINC000487739204 902330781 /nfs/dbraw/zinc/33/07/81/902330781.db2.gz NLIAZODRPRIKCD-CYBMUJFWSA-N -1 3 408.458 4.182 20 0 HIADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000488233903 902709639 /nfs/dbraw/zinc/70/96/39/902709639.db2.gz QHJMODDUZCDWFU-UHFFFAOYSA-N -1 3 410.776 4.257 20 0 HIADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488670162 902930230 /nfs/dbraw/zinc/93/02/30/902930230.db2.gz GDTGIIONGFUPIP-LBPRGKRZSA-N -1 3 417.307 4.109 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(OCc2ccccn2)cc1 ZINC000488675643 902937168 /nfs/dbraw/zinc/93/71/68/902937168.db2.gz JHGIDLVNSBESSZ-UHFFFAOYSA-N -1 3 413.271 4.059 20 0 HIADHM Cc1oc(-c2ccsc2)nc1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000488682583 902942548 /nfs/dbraw/zinc/94/25/48/902942548.db2.gz GJCHTFFQEWMTPA-UHFFFAOYSA-N -1 3 407.289 4.039 20 0 HIADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)s1 ZINC000488708522 902956957 /nfs/dbraw/zinc/95/69/57/902956957.db2.gz HWXNJBPIIOAILH-SECBINFHSA-N -1 3 411.409 4.215 20 0 HIADHM COc1ccc([C@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)C(F)(F)F)cc1 ZINC000506010234 914684184 /nfs/dbraw/zinc/68/41/84/914684184.db2.gz XXSFKHQWCNHBIB-SFHVURJKSA-N -1 3 403.360 4.483 20 0 HIADHM O=S(=O)([N-]C1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(F)ccc1Cl ZINC000488943849 903091205 /nfs/dbraw/zinc/09/12/05/903091205.db2.gz NGLZBIUPPFPEJZ-UHFFFAOYSA-N -1 3 417.333 4.075 20 0 HIADHM COc1ccc(Br)cc1CS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000490446876 904016657 /nfs/dbraw/zinc/01/66/57/904016657.db2.gz QZLKQVVUPATNAZ-UHFFFAOYSA-N -1 3 421.316 4.130 20 0 HIADHM COc1ccc(Br)cc1CS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000490446876 904016670 /nfs/dbraw/zinc/01/66/70/904016670.db2.gz QZLKQVVUPATNAZ-UHFFFAOYSA-N -1 3 421.316 4.130 20 0 HIADHM Cc1cc(C)n(-c2ccc(CS(=O)(=O)c3nc(-c4ccccc4)c(C)[n-]3)cc2)n1 ZINC000490452484 904019654 /nfs/dbraw/zinc/01/96/54/904019654.db2.gz HBONNFVEPWTQQD-UHFFFAOYSA-N -1 3 406.511 4.162 20 0 HIADHM Cc1cc(C)n(-c2ccc(CS(=O)(=O)c3nc(C)c(-c4ccccc4)[n-]3)cc2)n1 ZINC000490452484 904019666 /nfs/dbraw/zinc/01/96/66/904019666.db2.gz HBONNFVEPWTQQD-UHFFFAOYSA-N -1 3 406.511 4.162 20 0 HIADHM COc1cc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc(OC)c1[O-] ZINC000490586326 904118545 /nfs/dbraw/zinc/11/85/45/904118545.db2.gz MFHSIXRTGUBGOW-CYBMUJFWSA-N -1 3 412.269 4.010 20 0 HIADHM CC[C@@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(F)cn1 ZINC000493058267 905006617 /nfs/dbraw/zinc/00/66/17/905006617.db2.gz NGKPCEDJHINEEJ-HXUWFJFHSA-N -1 3 417.481 4.402 20 0 HIADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493937281 905289762 /nfs/dbraw/zinc/28/97/62/905289762.db2.gz OUQLNHFLLYAIHK-SECBINFHSA-N -1 3 422.753 4.104 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(-c4ccc(C)cc4)c3C(C)C)nc21 ZINC000494128213 905470734 /nfs/dbraw/zinc/47/07/34/905470734.db2.gz VRIRKFCAZHYORG-UHFFFAOYSA-N -1 3 417.469 4.219 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c[nH]nc3-c3c(F)cccc3F)c2)n1 ZINC000494465411 905748628 /nfs/dbraw/zinc/74/86/28/905748628.db2.gz BGPPFDODBXIDOL-UHFFFAOYSA-N -1 3 421.407 4.332 20 0 HIADHM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000494644865 905879513 /nfs/dbraw/zinc/87/95/13/905879513.db2.gz ACHMHCMJFAPKLX-UHFFFAOYSA-N -1 3 403.422 4.354 20 0 HIADHM CN(Cc1ccc([S@](C)=O)cc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000494953035 906125634 /nfs/dbraw/zinc/12/56/34/906125634.db2.gz PXXYCXNFOAVVQO-NDEPHWFRSA-N -1 3 413.524 4.026 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c(F)ccc(C)c3Br)cc2)n1 ZINC000495098010 906237940 /nfs/dbraw/zinc/23/79/40/906237940.db2.gz LVSARMYIIUESAZ-UHFFFAOYSA-N -1 3 416.250 4.208 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c[nH]nc3-c3ccc(Cl)s3)cc2)n1 ZINC000495112468 906246953 /nfs/dbraw/zinc/24/69/53/906246953.db2.gz 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DXEMMYMCDWQXFN-WIYYLYMNSA-N -1 3 416.518 4.325 20 0 HIADHM CCCOc1ccc(-c2nc(C(=O)[N-]c3sccc3S(C)(=O)=O)cs2)cc1 ZINC000525150011 930065818 /nfs/dbraw/zinc/06/58/18/930065818.db2.gz YDPHZXAPBCQFQK-UHFFFAOYSA-N -1 3 422.553 4.316 20 0 HIADHM COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000525492072 930278555 /nfs/dbraw/zinc/27/85/55/930278555.db2.gz ITEZRMUAQZQURJ-HNNXBMFYSA-N -1 3 410.901 4.285 20 0 HIADHM Cc1nc(C)c(CC(=O)N[C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)c(=O)[n-]1 ZINC000525601518 930356354 /nfs/dbraw/zinc/35/63/54/930356354.db2.gz JOSDJAOGYFJQQW-OAQYLSRUSA-N -1 3 413.880 4.348 20 0 HIADHM O=C([N-]c1c(F)cc(Br)cc1F)c1cn(-c2cccc(Cl)c2)nn1 ZINC000525834777 930459979 /nfs/dbraw/zinc/45/99/79/930459979.db2.gz HMVYTLGYFKDHQN-UHFFFAOYSA-N -1 3 413.609 4.214 20 0 HIADHM O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cc([O-])c2ccccc2c1 ZINC000525941893 930490116 /nfs/dbraw/zinc/49/01/16/930490116.db2.gz WPKLWQHCGRHQFP-UHFFFAOYSA-N -1 3 424.254 4.288 20 0 HIADHM 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Oc1cccc(C=Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000436521410 861833157 /nfs/dbraw/zinc/83/31/57/861833157.db2.gz DOMNKFDDGQDCSH-BQYQJAHWSA-N -1 3 410.231 4.160 20 0 HIADHM C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000436525716 861834756 /nfs/dbraw/zinc/83/47/56/861834756.db2.gz HEKOELQMOSBAQV-MQVPCNEGSA-N -1 3 414.505 4.473 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@@H]1Cc1ccccc1 ZINC000436524814 861834812 /nfs/dbraw/zinc/83/48/12/861834812.db2.gz BSRVILBZZGBZHT-VWNXMTODSA-N -1 3 414.505 4.097 20 0 HIADHM CCCCc1ccc([C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)c2cccs2)cc1 ZINC000031220688 847847191 /nfs/dbraw/zinc/84/71/91/847847191.db2.gz RIHKZUOJDLLKDJ-QFIPXVFZSA-N -1 3 409.555 4.239 20 0 HIADHM O=C(Nc1ccccc1-c1cccs1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436534642 861839065 /nfs/dbraw/zinc/83/90/65/861839065.db2.gz LGIGJMKOBKDDOO-UHFFFAOYSA-N -1 3 407.495 4.111 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC2(C1)CCCCC2 ZINC000436533075 861839113 /nfs/dbraw/zinc/83/91/13/861839113.db2.gz ZGDXWRLINDXCDM-JOCHJYFZSA-N -1 3 406.526 4.436 20 0 HIADHM O=C([N-]OCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000031616665 847918194 /nfs/dbraw/zinc/91/81/94/847918194.db2.gz HMOFAQQQNWCXSU-INIZCTEOSA-N -1 3 407.297 4.094 20 0 HIADHM Cc1c(C[S@](C)=O)cccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436544266 861844461 /nfs/dbraw/zinc/84/44/61/861844461.db2.gz BVCJGYWFEUAICZ-LJAQVGFWSA-N -1 3 409.507 4.410 20 0 HIADHM CC(C)c1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(O)c(C(C)C)c1 ZINC000436546256 861845686 /nfs/dbraw/zinc/84/56/86/861845686.db2.gz UNOOOQJQZUJJKA-UHFFFAOYSA-N -1 3 424.541 4.379 20 0 HIADHM Cc1cccc(C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)c1[O-] ZINC000436546898 861845904 /nfs/dbraw/zinc/84/59/04/861845904.db2.gz PEIUZYWHGWAEOX-UHFFFAOYSA-N -1 3 417.252 4.302 20 0 HIADHM CCc1nc(CN2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)cs1 ZINC000436549475 861846821 /nfs/dbraw/zinc/84/68/21/861846821.db2.gz FTAHYOOCCUHHPB-UHFFFAOYSA-N -1 3 423.538 4.161 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(CN2CCCCC2=O)CC1 ZINC000436552438 861848360 /nfs/dbraw/zinc/84/83/60/861848360.db2.gz WPQTUNJWEQMHKZ-UHFFFAOYSA-N -1 3 420.553 4.042 20 0 HIADHM CCCOc1ccccc1Oc1ncccc1CNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436567068 861855153 /nfs/dbraw/zinc/85/51/53/861855153.db2.gz WQUTWGSKKLYRNP-UHFFFAOYSA-N -1 3 422.437 4.027 20 0 HIADHM Cc1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)s1 ZINC000031970824 847974129 /nfs/dbraw/zinc/97/41/29/847974129.db2.gz UYFBBEWBMLHYAI-UHFFFAOYSA-N -1 3 419.503 4.261 20 0 HIADHM CCCc1cnc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436561470 861852768 /nfs/dbraw/zinc/85/27/68/861852768.db2.gz JEPJIKDSVCDTII-IBGZPJMESA-N -1 3 409.511 4.301 20 0 HIADHM O=C(Nc1ccc(C2=NNC(=O)CC2)cc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436573635 861856534 /nfs/dbraw/zinc/85/65/34/861856534.db2.gz JTBGFQCGYLYULN-UHFFFAOYSA-N -1 3 413.477 4.044 20 0 HIADHM O=S(=O)([N-]Cc1cccnc1Oc1cccc(F)c1)c1cccc(Cl)c1F ZINC000032437859 848026189 /nfs/dbraw/zinc/02/61/89/848026189.db2.gz CPLVEHIQKPZLNC-UHFFFAOYSA-N -1 3 410.829 4.284 20 0 HIADHM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436573466 861856970 /nfs/dbraw/zinc/85/69/70/861856970.db2.gz HXMXDEYCKWTKHE-GDLZYMKVSA-N -1 3 407.535 4.187 20 0 HIADHM Cc1ccc(C(=O)Nc2ccccc2CN(C)C(=O)c2ccc(C)cc2O)c([O-])c1 ZINC000436582936 861859373 /nfs/dbraw/zinc/85/93/73/861859373.db2.gz MIMOKGZFBVVVHT-UHFFFAOYSA-N -1 3 404.466 4.239 20 0 HIADHM COc1cc(N(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])cc(OC)c1OC ZINC000436581951 861859407 /nfs/dbraw/zinc/85/94/07/861859407.db2.gz HECFMWNZMCTMLI-UHFFFAOYSA-N -1 3 407.466 4.285 20 0 HIADHM COc1cc(N(C)C(=O)c2cc(OCc3ccccc3)ccc2[O-])cc(OC)c1OC ZINC000436587397 861860335 /nfs/dbraw/zinc/86/03/35/861860335.db2.gz DXKVCNZWWFENOG-UHFFFAOYSA-N -1 3 423.465 4.274 20 0 HIADHM CC(C)c1ccc(C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c([O-])c1 ZINC000436585595 861860475 /nfs/dbraw/zinc/86/04/75/861860475.db2.gz KENZNMBLJOVLTL-SFHVURJKSA-N -1 3 406.482 4.296 20 0 HIADHM CC[C@H](C)n1ncc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1C ZINC000436593086 861862556 /nfs/dbraw/zinc/86/25/56/861862556.db2.gz CIEINTDHTSUOMD-HRAATJIYSA-N -1 3 420.513 4.368 20 0 HIADHM Cc1cccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1[O-] ZINC000436596083 861863505 /nfs/dbraw/zinc/86/35/05/861863505.db2.gz PDXVBTOPRCLPHC-UHFFFAOYSA-N -1 3 400.232 4.298 20 0 HIADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436616348 861871092 /nfs/dbraw/zinc/87/10/92/861871092.db2.gz IYZAVMVBEVAGOB-SFHVURJKSA-N -1 3 421.324 4.352 20 0 HIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000436601170 861865267 /nfs/dbraw/zinc/86/52/67/861865267.db2.gz ICQGZBVJVCLKFN-AWEZNQCLSA-N -1 3 421.522 4.399 20 0 HIADHM O=C(Nc1ccc2c(c1)NC(=O)CS2)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436602606 861865921 /nfs/dbraw/zinc/86/59/21/861865921.db2.gz KOUDZQYUAQJNLE-UHFFFAOYSA-N -1 3 404.491 4.474 20 0 HIADHM Cc1cc2nnc(S[C@@H](C)c3nc(=O)c4c(-c5ccco5)csc4[n-]3)n2c(C)n1 ZINC000033031423 848101871 /nfs/dbraw/zinc/10/18/71/848101871.db2.gz AXACSQIQZSHTJZ-JTQLQIEISA-N -1 3 424.511 4.152 20 0 HIADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000436616283 861871210 /nfs/dbraw/zinc/87/12/10/861871210.db2.gz DLYSXSZQNILSLD-MRXNPFEDSA-N -1 3 400.478 4.359 20 0 HIADHM C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436605154 861866786 /nfs/dbraw/zinc/86/67/86/861866786.db2.gz KRAKUTXYKNONQR-CYBMUJFWSA-N -1 3 409.511 4.302 20 0 HIADHM Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436614371 861870312 /nfs/dbraw/zinc/87/03/12/861870312.db2.gz WUXDFFIOVHYRRZ-UHFFFAOYSA-N -1 3 402.494 4.380 20 0 HIADHM O=C([N-]NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1Sc1ccccc1 ZINC000036661075 848153048 /nfs/dbraw/zinc/15/30/48/848153048.db2.gz ZZSKNQWBWVJWRV-UHFFFAOYSA-N -1 3 407.539 4.210 20 0 HIADHM C[C@@H]1Cc2ccccc2N1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436626284 861874041 /nfs/dbraw/zinc/87/40/41/861874041.db2.gz QZWXMQTVKBKPFB-VGOFRKELSA-N -1 3 400.478 4.231 20 0 HIADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436625064 861874121 /nfs/dbraw/zinc/87/41/21/861874121.db2.gz NSVPFTAUGLVGMP-SIKLNZKXSA-N -1 3 422.569 4.334 20 0 HIADHM Cc1csc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2)n1 ZINC000436628817 861875088 /nfs/dbraw/zinc/87/50/88/861875088.db2.gz HPKDISSCGOLTGR-SFHVURJKSA-N -1 3 407.495 4.067 20 0 HIADHM CN(CCc1nc(-c2ccccc2)no1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436635037 861876798 /nfs/dbraw/zinc/87/67/98/861876798.db2.gz MCAFSTZWXCVBJN-UHFFFAOYSA-N -1 3 413.477 4.348 20 0 HIADHM CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1c([O-])cccc1O ZINC000436636732 861877663 /nfs/dbraw/zinc/87/76/63/861877663.db2.gz SFJSPZUNRQIUSL-UHFFFAOYSA-N -1 3 405.479 4.284 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)C1(c2cccc(F)c2)CCCCC1 ZINC000436643392 861880338 /nfs/dbraw/zinc/88/03/38/861880338.db2.gz XHOOMSLYPXUDJP-UHFFFAOYSA-N -1 3 424.516 4.154 20 0 HIADHM COc1ccc(NC(=O)c2c([O-])cccc2O)cc1OCc1ccc2ccccc2n1 ZINC000436646140 861881158 /nfs/dbraw/zinc/88/11/58/861881158.db2.gz FIIHYPYWDDUIBN-UHFFFAOYSA-N -1 3 416.433 4.486 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000042743063 848350713 /nfs/dbraw/zinc/35/07/13/848350713.db2.gz DYTGCTKIOBDOJX-UHFFFAOYSA-N -1 3 418.906 4.008 20 0 HIADHM C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1c(Cl)cccc1Cl ZINC000436699177 861897000 /nfs/dbraw/zinc/89/70/00/861897000.db2.gz QLWDCOPNPLIRDM-CXAGYDPISA-N -1 3 421.324 4.224 20 0 HIADHM CC(C)([C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000436701538 861898078 /nfs/dbraw/zinc/89/80/78/861898078.db2.gz AZJKKELAJRGWHB-LJQANCHMSA-N -1 3 410.411 4.294 20 0 HIADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ncc(Br)cn1 ZINC000436709514 861899083 /nfs/dbraw/zinc/89/90/83/861899083.db2.gz NYVGOBHHUSCTAI-ZDUSSCGKSA-N -1 3 412.287 4.027 20 0 HIADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000044259951 848538628 /nfs/dbraw/zinc/53/86/28/848538628.db2.gz LQEHICOVWCNANF-UHFFFAOYSA-N -1 3 410.776 4.257 20 0 HIADHM COc1ccc(-c2nc3c(s2)[C@H](NC(=O)c2ccc(OC)cc2[O-])CCC3)cc1 ZINC000436736147 861919556 /nfs/dbraw/zinc/91/95/56/861919556.db2.gz IKZOYBVJTLZLIE-QGZVFWFLSA-N -1 3 410.495 4.340 20 0 HIADHM Cc1ccc(-c2nc(CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)co2)cc1 ZINC000045101774 848633945 /nfs/dbraw/zinc/63/39/45/848633945.db2.gz PBEWYMYOBPJKFD-UHFFFAOYSA-N -1 3 415.478 4.365 20 0 HIADHM CCCc1ccc([C@H](NC(=O)NNC(=O)c2ccccc2[O-])c2cccs2)cc1 ZINC000045124251 848635792 /nfs/dbraw/zinc/63/57/92/848635792.db2.gz KSMBCGVYHGBUIR-FQEVSTJZSA-N -1 3 409.511 4.140 20 0 HIADHM Cc1nc2sc(-c3ccccc3)cc2c(NCCNC(=O)c2ccc([O-])cc2)n1 ZINC000436745830 861927413 /nfs/dbraw/zinc/92/74/13/861927413.db2.gz DOLCJXSOBUZUER-UHFFFAOYSA-N -1 3 404.495 4.214 20 0 HIADHM CCCCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C)C1CC1 ZINC000045369214 848671495 /nfs/dbraw/zinc/67/14/95/848671495.db2.gz NTDCIPMSCMCUEN-UHFFFAOYSA-N -1 3 416.543 4.209 20 0 HIADHM CC(=O)Nc1cccc([C@@H](C)NC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)c1 ZINC000045720207 848716915 /nfs/dbraw/zinc/71/69/15/848716915.db2.gz DGWFDILQHHMMRI-MRVPVSSYSA-N -1 3 416.696 4.388 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(C(F)(F)F)cc3)c2)n1 ZINC000046067090 848781316 /nfs/dbraw/zinc/78/13/16/848781316.db2.gz PMALDTCTMOSSPW-UHFFFAOYSA-N -1 3 417.387 4.036 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)c2)n1 ZINC000046067345 848781351 /nfs/dbraw/zinc/78/13/51/848781351.db2.gz LHXSDDBPNDLHDV-UHFFFAOYSA-N -1 3 419.872 4.091 20 0 HIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1F ZINC000046120729 848786889 /nfs/dbraw/zinc/78/68/89/848786889.db2.gz CNMLXSIPCIQCRL-UHFFFAOYSA-N -1 3 405.278 4.072 20 0 HIADHM O=C(c1ccccc1)N1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436759275 861949367 /nfs/dbraw/zinc/94/93/67/861949367.db2.gz VZJITKXMSUCUCA-UHFFFAOYSA-N -1 3 416.477 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408.420 4.101 20 0 HIADHM C[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)N(C)CC(F)(F)F ZINC000436982191 862159918 /nfs/dbraw/zinc/15/99/18/862159918.db2.gz TXDHMRXXUQRNTE-LLVKDONJSA-N -1 3 409.433 4.490 20 0 HIADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2cccs2)c2ccc(CC(C)C)cc2)c(=O)[n-]1 ZINC000057814910 850723095 /nfs/dbraw/zinc/72/30/95/850723095.db2.gz GERGPALFVQJFSE-HSZRJFAPSA-N -1 3 423.582 4.485 20 0 HIADHM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436984663 862161493 /nfs/dbraw/zinc/16/14/93/862161493.db2.gz ZECZEOXKFQJNMT-UHFFFAOYSA-N -1 3 402.450 4.116 20 0 HIADHM Cc1cc(NC(=O)c2ccc([O-])c(Cl)c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000436983353 862161888 /nfs/dbraw/zinc/16/18/88/862161888.db2.gz WVCNBIMSJXNGPF-GOSISDBHSA-N -1 3 410.905 4.250 20 0 HIADHM CCCNc1ccccc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436983173 862162235 /nfs/dbraw/zinc/16/22/35/862162235.db2.gz JFFRLKRVRQYKQX-UHFFFAOYSA-N -1 3 424.526 4.413 20 0 HIADHM 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IICFPZWRBSIANS-UHFFFAOYSA-N -1 3 415.519 4.592 20 0 HIADHM CC(C)c1nn(C)c2sc(C(=O)[N-]c3nnc(CC4CCCCC4)s3)cc12 ZINC000463867395 876987201 /nfs/dbraw/zinc/98/72/01/876987201.db2.gz TVGUYYWUQVEXPL-UHFFFAOYSA-N -1 3 403.577 4.985 20 0 HIADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000463945231 877066769 /nfs/dbraw/zinc/06/67/69/877066769.db2.gz AOGHNPWJQNIZQP-UHFFFAOYSA-N -1 3 404.360 4.203 20 0 HIADHM O=S(=O)([N-]Cc1cccc(-c2cccnc2)c1)c1ccc(F)cc1C(F)(F)F ZINC000464188198 877358287 /nfs/dbraw/zinc/35/82/87/877358287.db2.gz UTOPLRKNCHEZCA-UHFFFAOYSA-N -1 3 410.392 4.385 20 0 HIADHM CC(C)OC(=O)C[C@@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000464494506 877713228 /nfs/dbraw/zinc/71/32/28/877713228.db2.gz PNFZRMNCPSYLGJ-AWEZNQCLSA-N -1 3 415.515 4.211 20 0 HIADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000464635058 877853108 /nfs/dbraw/zinc/85/31/08/877853108.db2.gz BTCYNPICAYMFGZ-UHFFFAOYSA-N -1 3 422.750 4.794 20 0 HIADHM 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CO[C@@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccc(Cl)cc1 ZINC000466103207 879819653 /nfs/dbraw/zinc/81/96/53/879819653.db2.gz XBQIXYCKYGKRKI-IBGZPJMESA-N -1 3 412.877 4.320 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc(=O)[n-]1 ZINC000466371792 880131307 /nfs/dbraw/zinc/13/13/07/880131307.db2.gz CCEUQMABVDQDOX-CYBMUJFWSA-N -1 3 412.877 4.400 20 0 HIADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCc3nc(C)no3)cc2)cc1 ZINC000467084360 880853497 /nfs/dbraw/zinc/85/34/97/880853497.db2.gz JMHBHKBMGYQUNW-UHFFFAOYSA-N -1 3 415.515 4.445 20 0 HIADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1C ZINC000467087217 880855067 /nfs/dbraw/zinc/85/50/67/880855067.db2.gz WSEBYPOUHILQQX-UHFFFAOYSA-N -1 3 421.559 4.445 20 0 HIADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cc1 ZINC000467429161 881222777 /nfs/dbraw/zinc/22/27/77/881222777.db2.gz KSJQBBGUVSHKPN-UHFFFAOYSA-N -1 3 415.515 4.047 20 0 HIADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000467517418 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O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC(C2CCCC2)C1 ZINC000481982285 897376234 /nfs/dbraw/zinc/37/62/34/897376234.db2.gz PQDRLGABCWJHRB-UHFFFAOYSA-N -1 3 409.711 4.206 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000482233955 897714616 /nfs/dbraw/zinc/71/46/16/897714616.db2.gz IPOZMQGCHTZWCO-OAHLLOKOSA-N -1 3 410.396 4.112 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000482355176 897870078 /nfs/dbraw/zinc/87/00/78/897870078.db2.gz FCZPYVVEWGXPBF-AWEZNQCLSA-N -1 3 411.683 4.131 20 0 HIADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccc(N2CCCC2)c1 ZINC000482597626 898200261 /nfs/dbraw/zinc/20/02/61/898200261.db2.gz LEPCJULBYVMOEL-CQSZACIVSA-N -1 3 418.335 4.315 20 0 HIADHM CC(C)C(=O)Nc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482657829 898261333 /nfs/dbraw/zinc/26/13/33/898261333.db2.gz PHADTWJUKSKHHK-UHFFFAOYSA-N -1 3 406.280 4.071 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(OC(F)(F)F)c1 ZINC000482693074 898293310 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404.308 4.377 20 0 HIADHM C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c2ccccc21 ZINC000486722355 901814220 /nfs/dbraw/zinc/81/42/20/901814220.db2.gz GRNBHZMZSCEQRZ-AWEZNQCLSA-N -1 3 413.474 4.109 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3c[nH]c4cccc(OC)c34)c2)n1 ZINC000486858053 901903457 /nfs/dbraw/zinc/90/34/57/901903457.db2.gz AFFUQUDYPHYSES-UHFFFAOYSA-N -1 3 402.454 4.083 20 0 HIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)cc1OCC ZINC000486861937 901907008 /nfs/dbraw/zinc/90/70/08/901907008.db2.gz MAJSYOKPBKGLSY-UHFFFAOYSA-N -1 3 418.559 4.256 20 0 HIADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1csc(-c2ccccc2C)n1 ZINC000487023358 902022938 /nfs/dbraw/zinc/02/29/38/902022938.db2.gz YCLUNHAAJBGAHM-UHFFFAOYSA-N -1 3 413.524 4.421 20 0 HIADHM COC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)c1ccc(Cl)cc1 ZINC000487381755 902172876 /nfs/dbraw/zinc/17/28/76/902172876.db2.gz UQZHBPZMKOGDTG-ZDUSSCGKSA-N -1 3 424.769 4.138 20 0 HIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000487439518 902210908 /nfs/dbraw/zinc/21/09/08/902210908.db2.gz OOOQHTNSAAXVPI-UHFFFAOYSA-N -1 3 412.309 4.015 20 0 HIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccccc2)n1 ZINC000487731529 902325858 /nfs/dbraw/zinc/32/58/58/902325858.db2.gz QCEZDXLRMRFEBD-HNNXBMFYSA-N -1 3 404.495 4.102 20 0 HIADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2Br)c1cc(F)ccc1Cl ZINC000488640413 902913773 /nfs/dbraw/zinc/91/37/73/902913773.db2.gz ATTIGMUOGRHOOG-CQSZACIVSA-N -1 3 404.688 4.207 20 0 HIADHM Cc1ccc(-c2cnc(CCC(=O)NCc3ccc([O-])c(Br)c3)o2)cc1 ZINC000488675979 902936911 /nfs/dbraw/zinc/93/69/11/902936911.db2.gz OIENUEZNYVLZPR-UHFFFAOYSA-N -1 3 415.287 4.367 20 0 HIADHM Cc1c(C(=O)NCc2ccc([O-])c(Br)c2)cnn1-c1cccc(Cl)c1 ZINC000488678339 902940184 /nfs/dbraw/zinc/94/01/84/902940184.db2.gz UPBDPVNZCVMJCP-UHFFFAOYSA-N -1 3 420.694 4.232 20 0 HIADHM O=C(CCc1cc(Br)cs1)NCc1ccc([O-])c(Br)c1 ZINC000488682008 902942311 /nfs/dbraw/zinc/94/23/11/902942311.db2.gz WNENONSMBRQVST-UHFFFAOYSA-N -1 3 419.138 4.228 20 0 HIADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(F)cc1C(F)(F)F ZINC000488826166 903026716 /nfs/dbraw/zinc/02/67/16/903026716.db2.gz SKUOFTOWULYAJM-NVXWUHKLSA-N -1 3 421.387 4.182 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(C(C)(C)C)c3-c3ccccc3)nc21 ZINC000489033422 903138770 /nfs/dbraw/zinc/13/87/70/903138770.db2.gz AEPJQRIHZAXUMV-UHFFFAOYSA-N -1 3 417.469 4.220 20 0 HIADHM O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc([O-])ccc1Cl ZINC000506015969 914694198 /nfs/dbraw/zinc/69/41/98/914694198.db2.gz AWYFZMXODPBKLS-HNNXBMFYSA-N -1 3 413.688 4.278 20 0 HIADHM COC(=O)CCCN(Cc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000490032362 903733438 /nfs/dbraw/zinc/73/34/38/903733438.db2.gz NEEUNNDHKCNKGZ-UHFFFAOYSA-N -1 3 405.454 4.037 20 0 HIADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000490284083 903873903 /nfs/dbraw/zinc/87/39/03/903873903.db2.gz GGFLILIYRPJCPY-GQCTYLIASA-N -1 3 424.463 4.406 20 0 HIADHM O=C(Nc1n[n-]c(SCCO)n1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000490538301 904085129 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Cc1c2cc(Br)cc(C)c2oc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000494891074 906066602 /nfs/dbraw/zinc/06/66/02/906066602.db2.gz GXQMEZOKXJGBDA-UHFFFAOYSA-N -1 3 412.247 4.245 20 0 HIADHM Cc1c2cc(Br)cc(C)c2oc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000494891074 906066614 /nfs/dbraw/zinc/06/66/14/906066614.db2.gz GXQMEZOKXJGBDA-UHFFFAOYSA-N -1 3 412.247 4.245 20 0 HIADHM O=C(NCc1ncccc1[O-])Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000496898341 906777569 /nfs/dbraw/zinc/77/75/69/906777569.db2.gz MPMQOTYWXINETO-UHFFFAOYSA-N -1 3 409.298 4.463 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccn(C(C)C)n2)cc1 ZINC000497809079 907293983 /nfs/dbraw/zinc/29/39/83/907293983.db2.gz SODIBLKKUOXNTG-UHFFFAOYSA-N -1 3 412.515 4.134 20 0 HIADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)c(C)c1C ZINC000497905975 907379471 /nfs/dbraw/zinc/37/94/71/907379471.db2.gz VRMCYRLXEFSLOA-UHFFFAOYSA-N -1 3 423.600 4.353 20 0 HIADHM Cc1c(C(=O)[N-]c2nc(-c3cccs3)ns2)nnn1-c1ccccc1Cl ZINC000497976529 907450066 /nfs/dbraw/zinc/45/00/66/907450066.db2.gz NBVPKXWPAUUQES-UHFFFAOYSA-N -1 3 402.892 4.061 20 0 HIADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCCc2ccccc2C1 ZINC000498198755 907731071 /nfs/dbraw/zinc/73/10/71/907731071.db2.gz UKFCNWFPDTVLLX-UHFFFAOYSA-N -1 3 424.497 4.215 20 0 HIADHM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000498462306 907927462 /nfs/dbraw/zinc/92/74/62/907927462.db2.gz BCUAASRPFDUNJV-UHFFFAOYSA-N -1 3 415.240 4.389 20 0 HIADHM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000498462306 907927478 /nfs/dbraw/zinc/92/74/78/907927478.db2.gz BCUAASRPFDUNJV-UHFFFAOYSA-N -1 3 415.240 4.389 20 0 HIADHM Brc1cccc(-c2ccc(CNC3(c4nn[n-]n4)CCCC3)s2)c1 ZINC000499216051 908571140 /nfs/dbraw/zinc/57/11/40/908571140.db2.gz RJGMCWIXMPHKOF-UHFFFAOYSA-N -1 3 404.337 4.250 20 0 HIADHM Brc1cccc(-c2ccc(CNC3(c4nnn[n-]4)CCCC3)s2)c1 ZINC000499216051 908571155 /nfs/dbraw/zinc/57/11/55/908571155.db2.gz RJGMCWIXMPHKOF-UHFFFAOYSA-N -1 3 404.337 4.250 20 0 HIADHM O=C(c1cc([O-])ccc1Cl)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000499665043 908869475 /nfs/dbraw/zinc/86/94/75/908869475.db2.gz ZVBUVKYFEHGNCK-UHFFFAOYSA-N -1 3 410.695 4.492 20 0 HIADHM O=S(=O)([N-]Cc1csc(Br)c1)c1csc(-c2ccccc2)n1 ZINC000500416345 909845352 /nfs/dbraw/zinc/84/53/52/909845352.db2.gz NOTVSYHHTVIVEQ-UHFFFAOYSA-N -1 3 415.359 4.113 20 0 HIADHM C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000501002245 910226060 /nfs/dbraw/zinc/22/60/60/910226060.db2.gz MDVSYPPCLWKFPG-ZDUSSCGKSA-N -1 3 407.861 4.003 20 0 HIADHM C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000501002245 910226076 /nfs/dbraw/zinc/22/60/76/910226076.db2.gz MDVSYPPCLWKFPG-ZDUSSCGKSA-N -1 3 407.861 4.003 20 0 HIADHM Cc1c2cc(Br)ccc2sc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000501259747 910420449 /nfs/dbraw/zinc/42/04/49/910420449.db2.gz ULFUVBKPVANEIE-UHFFFAOYSA-N -1 3 419.226 4.039 20 0 HIADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000501465986 910586148 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CCC[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000502835495 911848333 /nfs/dbraw/zinc/84/83/33/911848333.db2.gz BDHNHCMONWEHFS-MRXNPFEDSA-N -1 3 416.330 4.031 20 0 HIADHM CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000502959937 911940599 /nfs/dbraw/zinc/94/05/99/911940599.db2.gz AHWJNNWBNNECME-UHFFFAOYSA-N -1 3 422.872 4.282 20 0 HIADHM Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000502973491 911953882 /nfs/dbraw/zinc/95/38/82/911953882.db2.gz ZBFOYHBITHRJOZ-UHFFFAOYSA-N -1 3 418.407 4.351 20 0 HIADHM CCSc1nnc([N-]C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)s1 ZINC000503094541 912065742 /nfs/dbraw/zinc/06/57/42/912065742.db2.gz BTPJOJIILFCFPU-UHFFFAOYSA-N -1 3 416.866 4.074 20 0 HIADHM COc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc(C(F)F)s3)s2)c(F)c1 ZINC000503138193 912098679 /nfs/dbraw/zinc/09/86/79/912098679.db2.gz FTUBYXJNVZKZBZ-UHFFFAOYSA-N -1 3 400.407 4.308 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC3(C(F)F)CC3)ccc2C)c(C)c1 ZINC000506582340 915233867 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4.037 20 0 HIADHM CCC(C)(C)c1ccc(CS(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000507874286 916712278 /nfs/dbraw/zinc/71/22/78/916712278.db2.gz CANYPLQMQQNXSW-UHFFFAOYSA-N -1 3 402.438 4.004 20 0 HIADHM O=C(NCc1ccc(Cl)cc1I)c1cc([O-])ccc1Cl ZINC000508213299 917030372 /nfs/dbraw/zinc/03/03/72/917030372.db2.gz DMBIAVRNYCCBSW-UHFFFAOYSA-N -1 3 422.049 4.234 20 0 HIADHM C[C@H]1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000508248560 917066269 /nfs/dbraw/zinc/06/62/69/917066269.db2.gz MTMANHLCFTVQCM-HOTGVXAUSA-N -1 3 404.507 4.183 20 0 HIADHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(F)c1)c1c(Cl)cccc1Br ZINC000509249055 917944086 /nfs/dbraw/zinc/94/40/86/917944086.db2.gz PPEXYTFFCXZVCB-RISCZKNCSA-N -1 3 404.688 4.076 20 0 HIADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)N2CCCC2)o1 ZINC000509701289 918333014 /nfs/dbraw/zinc/33/30/14/918333014.db2.gz UCQBTWGDFCQCPW-AWEZNQCLSA-N -1 3 403.331 4.010 20 0 HIADHM CCN(CCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1cccc(C)c1 ZINC000509884752 918486052 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CC1CCC(N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000018147680 846303111 /nfs/dbraw/zinc/30/31/11/846303111.db2.gz MHFVVKLNAYVGJO-UHFFFAOYSA-N -1 3 404.507 4.277 20 0 HIADHM Cc1ccccc1CCNC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000018244920 846315534 /nfs/dbraw/zinc/31/55/34/846315534.db2.gz OWUJHJICAGKTFP-UHFFFAOYSA-N -1 3 402.520 4.180 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)CC[C@@H]3C)ccc2C)cc1 ZINC000436354411 861678928 /nfs/dbraw/zinc/67/89/28/861678928.db2.gz VSFGXAKETUKHMW-WBVHZDCISA-N -1 3 416.543 4.065 20 0 HIADHM COc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)cc1 ZINC000021873545 846505382 /nfs/dbraw/zinc/50/53/82/846505382.db2.gz FLYPQFPFATZLIC-UHFFFAOYSA-N -1 3 424.522 4.043 20 0 HIADHM Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)c1 ZINC000023118058 846661182 /nfs/dbraw/zinc/66/11/82/846661182.db2.gz DPSQTIQVMYXWIB-UHFFFAOYSA-N -1 3 413.326 4.303 20 0 HIADHM O=C(OCc1nnc(-c2ccc(Br)cc2)o1)c1cc2ccsc2[n-]1 ZINC000023345990 846688051 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20 0 HIADHM CCC(=O)c1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436555054 861849455 /nfs/dbraw/zinc/84/94/55/861849455.db2.gz IECSXDHJTKMYQW-QFIPXVFZSA-N -1 3 416.477 4.485 20 0 HIADHM C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436554686 861850013 /nfs/dbraw/zinc/85/00/13/861850013.db2.gz LEGAVFXSKBJMDF-SFHVURJKSA-N -1 3 403.482 4.099 20 0 HIADHM CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccc(C)cc3[O-])sc2C)s1 ZINC000436557045 861850742 /nfs/dbraw/zinc/85/07/42/861850742.db2.gz UXYHTNAIYWWCNR-UHFFFAOYSA-N -1 3 401.513 4.082 20 0 HIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(-c2ncccc2-n2cccn2)no1 ZINC000436580670 861858852 /nfs/dbraw/zinc/85/88/52/861858852.db2.gz HBULHOGNGWRCHM-UHFFFAOYSA-N -1 3 411.421 4.269 20 0 HIADHM O=C(Nc1ccccc1O[C@H]1CCOC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436582737 861859500 /nfs/dbraw/zinc/85/95/00/861859500.db2.gz JDSYTKAQHLAOBN-IBGZPJMESA-N -1 3 405.450 4.391 20 0 HIADHM CC(=O)N1CCc2cc(NC(=O)c3cc(CCc4ccccc4)ccc3[O-])ccc21 ZINC000436590776 861861324 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C=Cc1ccc(CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436639775 861878551 /nfs/dbraw/zinc/87/85/51/861878551.db2.gz MODNAGDJSRBECD-XMMPIXPASA-N -1 3 414.505 4.255 20 0 HIADHM Cc1csc(Nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2)n1 ZINC000436630971 861874986 /nfs/dbraw/zinc/87/49/86/861874986.db2.gz RFHVJVCGJJOVIB-SFHVURJKSA-N -1 3 422.510 4.144 20 0 HIADHM Cc1csc(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2)n1 ZINC000436628812 861875243 /nfs/dbraw/zinc/87/52/43/861875243.db2.gz HPKDISSCGOLTGR-GOSISDBHSA-N -1 3 407.495 4.067 20 0 HIADHM C[C@@H](C1CC1)n1nccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436631439 861876149 /nfs/dbraw/zinc/87/61/49/861876149.db2.gz VAAXNVVJHAHIFF-HRAATJIYSA-N -1 3 418.497 4.060 20 0 HIADHM CC(C)c1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c2ccccc2n1 ZINC000436634616 861877048 /nfs/dbraw/zinc/87/70/48/861877048.db2.gz QAZCBOTZQJSHDG-UHFFFAOYSA-N -1 3 417.509 4.098 20 0 HIADHM O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1cc2c(cc1[O-])OCO2 ZINC000436639033 861878375 /nfs/dbraw/zinc/87/83/75/861878375.db2.gz BJQHOJDKHOYKBA-UHFFFAOYSA-N -1 3 421.887 4.170 20 0 HIADHM CC(C)c1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2s1 ZINC000436652931 861883070 /nfs/dbraw/zinc/88/30/70/861883070.db2.gz RLNYWDJIWLGKLW-QGZVFWFLSA-N -1 3 409.511 4.369 20 0 HIADHM Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436662997 861886431 /nfs/dbraw/zinc/88/64/31/861886431.db2.gz HTGXWSHPYDLGMC-UHFFFAOYSA-N -1 3 422.338 4.144 20 0 HIADHM O=C(Nc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1)c1ccc(Cl)cc1 ZINC000436666397 861887513 /nfs/dbraw/zinc/88/75/13/861887513.db2.gz SZLYEYYZVKIQFZ-UHFFFAOYSA-N -1 3 410.813 4.279 20 0 HIADHM O=C(N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1cc2ccccc2cc1[O-] ZINC000436663761 861887566 /nfs/dbraw/zinc/88/75/66/861887566.db2.gz HHWXBMAMFKOARZ-SFHVURJKSA-N -1 3 412.371 4.202 20 0 HIADHM COc1ccc([C@H](CNC(=O)c2c([O-])cccc2O)c2c[nH]c3ccccc32)cc1 ZINC000436670501 861889053 /nfs/dbraw/zinc/88/90/53/861889053.db2.gz GKXHYYXDNQRESU-SFHVURJKSA-N -1 3 402.450 4.150 20 0 HIADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])o1 ZINC000436669433 861889252 /nfs/dbraw/zinc/88/92/52/861889252.db2.gz LJLKVOCKQIVWMU-BFUOFWGJSA-N -1 3 423.469 4.456 20 0 HIADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])o1 ZINC000436669434 861889400 /nfs/dbraw/zinc/88/94/00/861889400.db2.gz LJLKVOCKQIVWMU-DJJJIMSYSA-N -1 3 423.469 4.456 20 0 HIADHM CC(C)(C)Cc1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc2o1 ZINC000436676237 861891687 /nfs/dbraw/zinc/89/16/87/861891687.db2.gz YIMOYXPKNVBNRO-GOSISDBHSA-N -1 3 421.497 4.365 20 0 HIADHM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436677116 861891851 /nfs/dbraw/zinc/89/18/51/861891851.db2.gz BBQPWXSZPHAUFA-JTQLQIEISA-N -1 3 400.431 4.183 20 0 HIADHM O=C(C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1)c1ccc([O-])cc1 ZINC000436688614 861893962 /nfs/dbraw/zinc/89/39/62/861893962.db2.gz OXEWPRBDKMGZFQ-UHFFFAOYSA-N -1 3 421.324 4.006 20 0 HIADHM CCOc1ccc(Br)cc1-c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000436691522 861894897 /nfs/dbraw/zinc/89/48/97/861894897.db2.gz SXKDNSCSFCZIGC-UHFFFAOYSA-N -1 3 421.247 4.288 20 0 HIADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000436701045 861896620 /nfs/dbraw/zinc/89/66/20/861896620.db2.gz YRNOLROGPHKGJU-HSZRJFAPSA-N -1 3 412.489 4.206 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC(C1CCC1)C1CCC1 ZINC000436699249 861896778 /nfs/dbraw/zinc/89/67/78/861896778.db2.gz SVNKSHOOQCBVEW-JOCHJYFZSA-N -1 3 406.526 4.338 20 0 HIADHM Cc1cc(C)[n-]c(=NNC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000043078908 848381763 /nfs/dbraw/zinc/38/17/63/848381763.db2.gz QVICUQHHZTXNGI-IBGZPJMESA-N -1 3 400.486 4.033 20 0 HIADHM COc1ccccc1-c1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436699270 861897096 /nfs/dbraw/zinc/89/70/96/861897096.db2.gz TUBQXDLBELNLML-UHFFFAOYSA-N -1 3 402.494 4.026 20 0 HIADHM Cc1ccc(-c2ccc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)s2)o1 ZINC000436709085 861898991 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ZINC000046462334 848854389 /nfs/dbraw/zinc/85/43/89/848854389.db2.gz USZCHYUWAZEOSS-UHFFFAOYSA-N -1 3 401.875 4.097 20 0 HIADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000436763875 861953747 /nfs/dbraw/zinc/95/37/47/861953747.db2.gz MPSSVEFZIOKCGY-UHFFFAOYSA-N -1 3 409.360 4.039 20 0 HIADHM [O-]c1ccccc1-c1nc(CSc2nnc(COc3ccc(Cl)cc3)o2)no1 ZINC000436775498 861966371 /nfs/dbraw/zinc/96/63/71/861966371.db2.gz PZXPQEIHKFPYQG-UHFFFAOYSA-N -1 3 416.846 4.350 20 0 HIADHM Cn1cc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)c(C(F)(F)F)n1 ZINC000436773731 861966635 /nfs/dbraw/zinc/96/66/35/861966635.db2.gz KMKJGVPKIOLLBR-UHFFFAOYSA-N -1 3 416.359 4.441 20 0 HIADHM COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436780722 861972863 /nfs/dbraw/zinc/97/28/63/861972863.db2.gz GAOVCBZWZTVLKT-UHFFFAOYSA-N -1 3 410.495 4.263 20 0 HIADHM COc1ccc(CN(Cc2ccccc2)C(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436784675 861976962 /nfs/dbraw/zinc/97/69/62/861976962.db2.gz AZTZTAVUTMARRG-UHFFFAOYSA-N -1 3 404.466 4.202 20 0 HIADHM CSc1ccc([C@@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436784128 861977162 /nfs/dbraw/zinc/97/71/62/861977162.db2.gz VXPOPZNJKISFJW-GFCCVEGCSA-N -1 3 411.483 4.154 20 0 HIADHM COc1cc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])ccc1NC(C)=O ZINC000436793946 861986083 /nfs/dbraw/zinc/98/60/83/861986083.db2.gz UAGQYASZYZRJQJ-UHFFFAOYSA-N -1 3 404.466 4.397 20 0 HIADHM CC[C@@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)Oc1cccc(C(F)(F)F)c1 ZINC000436804321 861994364 /nfs/dbraw/zinc/99/43/64/861994364.db2.gz AEWODFWGBGOWOK-AWEZNQCLSA-N -1 3 413.392 4.016 20 0 HIADHM COc1cc2c(cc1NC(=O)c1cc(Cc3ccccc3)ccc1[O-])NC(=O)CC2 ZINC000436816440 862001031 /nfs/dbraw/zinc/00/10/31/862001031.db2.gz DMMVFFNJIVGSHO-UHFFFAOYSA-N -1 3 402.450 4.129 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4csc(C)n4)c[nH]3)c2)n1 ZINC000049302499 849302119 /nfs/dbraw/zinc/30/21/19/849302119.db2.gz VYEUZVXBENEUQV-UHFFFAOYSA-N -1 3 405.483 4.012 20 0 HIADHM CCc1cccc(C)c1NC(=S)N[N-]C(=O)c1cnn(-c2ccccc2Cl)c1 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ZINC000069649755 852399789 /nfs/dbraw/zinc/39/97/89/852399789.db2.gz IUDHNMWELQOKTC-UHFFFAOYSA-N -1 3 404.532 4.115 20 0 HIADHM COc1ccc(OCCCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000071844653 852416782 /nfs/dbraw/zinc/41/67/82/852416782.db2.gz NRVDMNSYEJMHKV-UHFFFAOYSA-N -1 3 408.483 4.091 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2sccc2-c2ccccc2)cc1OC ZINC000072005575 852461062 /nfs/dbraw/zinc/46/10/62/852461062.db2.gz PBGLJDOLTGCJJI-UHFFFAOYSA-N -1 3 416.524 4.438 20 0 HIADHM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(C(F)(F)F)cc1 ZINC000072035776 852478011 /nfs/dbraw/zinc/47/80/11/852478011.db2.gz ODVMWWNGKNFLDQ-MRXNPFEDSA-N -1 3 411.405 4.234 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncc(Br)cn3)cc2)cc1 ZINC000078721727 852528453 /nfs/dbraw/zinc/52/84/53/852528453.db2.gz SEPUUSAGRIBYQQ-UHFFFAOYSA-N -1 3 420.288 4.141 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)cc1 ZINC000104729620 852675489 /nfs/dbraw/zinc/67/54/89/852675489.db2.gz NZVMGVZSGZZQBP-UHFFFAOYSA-N 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ZINC000111221578 853226521 /nfs/dbraw/zinc/22/65/21/853226521.db2.gz AZHLTUOKQADDPY-UHFFFAOYSA-N -1 3 418.541 4.252 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(-c4csc(C)n4)cc3)nc2)n1 ZINC000111221419 853226940 /nfs/dbraw/zinc/22/69/40/853226940.db2.gz OZRPDSFXGJSMGT-UHFFFAOYSA-N -1 3 417.538 4.481 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(Oc4cccc(F)c4)nc3)nc2)n1 ZINC000111227661 853228960 /nfs/dbraw/zinc/22/89/60/853228960.db2.gz JQUSGTDRILBYEQ-UHFFFAOYSA-N -1 3 417.444 4.333 20 0 HIADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)Nc1ccccc1C(F)(F)F ZINC000112676813 853239108 /nfs/dbraw/zinc/23/91/08/853239108.db2.gz KZJUATBKJUKUIP-AWEZNQCLSA-N -1 3 416.399 4.476 20 0 HIADHM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000116614660 853319837 /nfs/dbraw/zinc/31/98/37/853319837.db2.gz YDSXUTKVIQRJET-RXVVDRJESA-N -1 3 408.542 4.140 20 0 HIADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000139717038 853419559 /nfs/dbraw/zinc/41/95/59/853419559.db2.gz VGPSAMOOZJBMPP-KRWDZBQOSA-N -1 3 411.870 4.196 20 0 HIADHM CC[C@@H](Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000145062460 853545018 /nfs/dbraw/zinc/54/50/18/853545018.db2.gz ACUIJPNNIGUKNJ-CQSZACIVSA-N -1 3 403.891 4.310 20 0 HIADHM CCOc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc(Cl)c1[O-] ZINC000216150168 853845299 /nfs/dbraw/zinc/84/52/99/853845299.db2.gz JCRMWYCJOLMBQV-UHFFFAOYSA-N -1 3 423.340 4.492 20 0 HIADHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000219397325 853868796 /nfs/dbraw/zinc/86/87/96/853868796.db2.gz YDUQHTPUAUJQII-UHFFFAOYSA-N -1 3 412.274 4.330 20 0 HIADHM O=S(=O)([N-]c1ccncc1Br)c1ccc(Cl)c(F)c1Cl ZINC000231729262 853896938 /nfs/dbraw/zinc/89/69/38/853896938.db2.gz OFTSCSPYNYFKPN-UHFFFAOYSA-N -1 3 400.056 4.091 20 0 HIADHM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(Cl)c(Br)c1 ZINC000236268879 853898865 /nfs/dbraw/zinc/89/88/65/853898865.db2.gz FRAGGWLNNYNYMW-UHFFFAOYSA-N -1 3 400.603 4.321 20 0 HIADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@H]1C ZINC000248067220 854176697 /nfs/dbraw/zinc/17/66/97/854176697.db2.gz FHFBXVZEJIYOOI-VCBZYWHSSA-N -1 3 404.507 4.181 20 0 HIADHM Fc1ccccc1[N-]c1nnc(Sc2cc(C(F)(F)F)nc3ncnn32)s1 ZINC000301099022 854296104 /nfs/dbraw/zinc/29/61/04/854296104.db2.gz OFFJIVVEJJJHKC-UHFFFAOYSA-N -1 3 413.385 4.029 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOc3ccc(Br)cc3)nc2)n1 ZINC000301157153 854314667 /nfs/dbraw/zinc/31/46/67/854314667.db2.gz CDMNWMGXSNDJKF-UHFFFAOYSA-N -1 3 415.291 4.060 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCC(=O)Nc3ccc(Cl)cc3)nc2)n1 ZINC000301170139 854318810 /nfs/dbraw/zinc/31/88/10/854318810.db2.gz JRBQFYRPGFNXAR-UHFFFAOYSA-N -1 3 411.893 4.291 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)nc2)n1 ZINC000301210458 854329504 /nfs/dbraw/zinc/32/95/04/854329504.db2.gz USQAMVRZOBIAFS-JOCHJYFZSA-N -1 3 424.932 4.410 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](O)c3ccc(Cl)cc3Cl)nc2)n1 ZINC000301228427 854334233 /nfs/dbraw/zinc/33/42/33/854334233.db2.gz DAOHJSVDYBAPAX-INIZCTEOSA-N -1 3 405.285 4.259 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3cc(OC)ccc3OC)nc2)n1 ZINC000301513379 854410468 /nfs/dbraw/zinc/41/04/68/854410468.db2.gz JCEKRQQEJDPGCJ-LJQANCHMSA-N -1 3 406.486 4.165 20 0 HIADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000437310360 862574582 /nfs/dbraw/zinc/57/45/82/862574582.db2.gz ZAYQZPFXSIYZAH-QMMMGPOBSA-N -1 3 414.858 4.001 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@H](c4ccc(F)cc4Cl)C3)nc2)n1 ZINC000302454667 854572313 /nfs/dbraw/zinc/57/23/13/854572313.db2.gz UFEWRGLMTYUCCN-SFHVURJKSA-N -1 3 414.868 4.177 20 0 HIADHM O=S(=O)([N-]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1F ZINC000302806834 854640882 /nfs/dbraw/zinc/64/08/82/854640882.db2.gz CRRXHKCPZUXWBN-UHFFFAOYSA-N -1 3 417.333 4.075 20 0 HIADHM CCOc1cc([N-]C(=O)c2nc(Cl)ccc2Cl)c([N+](=O)[O-])cc1OCC ZINC000302889247 854667211 /nfs/dbraw/zinc/66/72/11/854667211.db2.gz BWQFUUBNJNTECN-UHFFFAOYSA-N -1 3 400.218 4.346 20 0 HIADHM CCc1cc2c(CN3Cc4ccccc4C[C@@H]3c3nnc(C)o3)cc(=O)oc2cc1[O-] ZINC000302927028 854683327 /nfs/dbraw/zinc/68/33/27/854683327.db2.gz AZXWYLFDZNQRBM-HXUWFJFHSA-N -1 3 417.465 4.052 20 0 HIADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Br)s1 ZINC000437336392 862608045 /nfs/dbraw/zinc/60/80/45/862608045.db2.gz KBQLGBDULPZNRM-RKDXNWHRSA-N -1 3 406.289 4.158 20 0 HIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000303439549 854939776 /nfs/dbraw/zinc/93/97/76/854939776.db2.gz HGLLWVHZRMIQAU-UHFFFAOYSA-N -1 3 418.421 4.381 20 0 HIADHM O=C(CCC1CCCCC1)[N-]OCc1nc(-c2ccc(Br)s2)no1 ZINC000303544107 855029811 /nfs/dbraw/zinc/02/98/11/855029811.db2.gz INKAXPUMNJNBGY-UHFFFAOYSA-N -1 3 414.325 4.469 20 0 HIADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)c2cccc(C(C)C)c2)cc1 ZINC000303729367 855155665 /nfs/dbraw/zinc/15/56/65/855155665.db2.gz DDRPPKVGFWUNTB-UHFFFAOYSA-N -1 3 424.588 4.177 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1Cc1ccccc1 ZINC000303749879 855171952 /nfs/dbraw/zinc/17/19/52/855171952.db2.gz HLBXNHLPIKBMSC-UHFFFAOYSA-N -1 3 424.522 4.354 20 0 HIADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000303818945 855221042 /nfs/dbraw/zinc/22/10/42/855221042.db2.gz XBLIFNVDKZXPKC-OTYXRUKQSA-N -1 3 424.769 4.219 20 0 HIADHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC000321802097 855391609 /nfs/dbraw/zinc/39/16/09/855391609.db2.gz XIQQZUATENGPKD-UHFFFAOYSA-N -1 3 415.378 4.216 20 0 HIADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1ccccc1 ZINC000386028293 855441991 /nfs/dbraw/zinc/44/19/91/855441991.db2.gz UYKMDHRIOZJOIS-AWEZNQCLSA-N -1 3 403.729 4.173 20 0 HIADHM O=S(=O)([N-]c1ccc2c(c1)CNC2)c1c(Cl)cc(Br)cc1Cl ZINC000386566480 855444088 /nfs/dbraw/zinc/44/40/88/855444088.db2.gz PSZIUYYPHLIZFA-UHFFFAOYSA-N -1 3 422.131 4.160 20 0 HIADHM O=S(=O)([N-][C@H]1CCSc2ccc(F)cc21)c1ccc(Br)cc1F ZINC000391496028 855459830 /nfs/dbraw/zinc/45/98/30/855459830.db2.gz HVBFZTAKIGVIJD-ZDUSSCGKSA-N -1 3 420.300 4.243 20 0 HIADHM Cc1cc(Br)c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1Cl ZINC000391387823 855460003 /nfs/dbraw/zinc/46/00/03/855460003.db2.gz DQNWFTNAESQWLT-UHFFFAOYSA-N -1 3 417.712 4.035 20 0 HIADHM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1cnc(Cl)c(F)c1 ZINC000394249386 855469974 /nfs/dbraw/zinc/46/99/74/855469974.db2.gz UVZUGUDVDFEYDR-UHFFFAOYSA-N -1 3 400.056 4.091 20 0 HIADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2sc(-c3ccccc3)nc2C)c1 ZINC000409487096 855504755 /nfs/dbraw/zinc/50/47/55/855504755.db2.gz RFJAOJKWSSPPLH-LBPRGKRZSA-N -1 3 422.553 4.006 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](c4ccccc4)O[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000409772139 855646031 /nfs/dbraw/zinc/64/60/31/855646031.db2.gz MJRBTZMRTAAVBD-BTYIYWSLSA-N -1 3 404.470 4.152 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1OC ZINC000410046634 855797178 /nfs/dbraw/zinc/79/71/78/855797178.db2.gz DEQUOYVGKMONSN-IBGZPJMESA-N -1 3 423.510 4.115 20 0 HIADHM O=C(NCC1(c2ccc(Br)cc2)CCC1)c1c[n-]c2ccccc2c1=O ZINC000410084851 855812378 /nfs/dbraw/zinc/81/23/78/855812378.db2.gz AADYVAOBIYRLLL-UHFFFAOYSA-N -1 3 411.299 4.142 20 0 HIADHM O=C1CCCc2cc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)ccc2N1 ZINC000410415727 855984266 /nfs/dbraw/zinc/98/42/66/855984266.db2.gz AUYVHFJGUIGPPU-UHFFFAOYSA-N -1 3 403.262 4.208 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)c(C)c1 ZINC000425985636 856032294 /nfs/dbraw/zinc/03/22/94/856032294.db2.gz SDRIILZEEFXHIF-UHFFFAOYSA-N -1 3 402.516 4.323 20 0 HIADHM C[C@@H]1CCCN1C(=O)c1ccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)cc1 ZINC000426123764 856122488 /nfs/dbraw/zinc/12/24/88/856122488.db2.gz PREDXOWFKAYTGO-GFCCVEGCSA-N -1 3 401.388 4.233 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(C[S@](=O)C(C)(C)C)c3)c[n-]c12 ZINC000426340145 856252778 /nfs/dbraw/zinc/25/27/78/856252778.db2.gz PAGFEDYKXDCIGV-LJAQVGFWSA-N -1 3 414.502 4.275 20 0 HIADHM COc1ccc(OCc2nc(CNC[C@@]3(CC(=O)[O-])CC[C@H](C)C3)cs2)cc1 ZINC000426638232 856387395 /nfs/dbraw/zinc/38/73/95/856387395.db2.gz PRLIMJKJIGHQCN-BTYIYWSLSA-N -1 3 404.532 4.101 20 0 HIADHM O=C([O-])[C@H](CNCc1ccc(-c2nc3ccccc3s2)o1)Oc1ccc(F)cc1 ZINC000426653184 856394389 /nfs/dbraw/zinc/39/43/89/856394389.db2.gz ZCEXWBJNNCXGMY-SFHVURJKSA-N -1 3 412.442 4.317 20 0 HIADHM CCCOc1c(Br)cc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1OC ZINC000426711593 856427291 /nfs/dbraw/zinc/42/72/91/856427291.db2.gz PMPNDPGSRLMOCQ-SFHVURJKSA-N -1 3 422.319 4.470 20 0 HIADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1cc(C(F)(F)F)ccc1F ZINC000426722899 856434493 /nfs/dbraw/zinc/43/44/93/856434493.db2.gz XIDFJSDKRYANGT-QGZVFWFLSA-N -1 3 401.425 4.363 20 0 HIADHM CC1([C@@H](NCc2ncc(Br)cc2Br)C(=O)[O-])CCCCC1 ZINC000426733682 856441643 /nfs/dbraw/zinc/44/16/43/856441643.db2.gz NUGCBMNXRVGRHH-ZDUSSCGKSA-N -1 3 420.145 4.120 20 0 HIADHM CCOc1c(Br)cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1OC ZINC000426734832 856441772 /nfs/dbraw/zinc/44/17/72/856441772.db2.gz RHOCQEHHMWFADN-GOSISDBHSA-N -1 3 422.319 4.389 20 0 HIADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc(-c2cccc(Br)c2)s1 ZINC000426748074 856452472 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20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000427065256 856618020 /nfs/dbraw/zinc/61/80/20/856618020.db2.gz RUUIALQJHYOLFX-UHFFFAOYSA-N -1 3 404.861 4.122 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1sc(C2CC2)nc1-c1ccccc1 ZINC000427067251 856618955 /nfs/dbraw/zinc/61/89/55/856618955.db2.gz MVPLDUDOUWCAPM-UHFFFAOYSA-N -1 3 402.483 4.044 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1sc(C2CC2)nc1-c1ccccc1 ZINC000427067251 856618960 /nfs/dbraw/zinc/61/89/60/856618960.db2.gz MVPLDUDOUWCAPM-UHFFFAOYSA-N -1 3 402.483 4.044 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1I ZINC000427115822 856647143 /nfs/dbraw/zinc/64/71/43/856647143.db2.gz TYQRMEXBBFGBEF-UHFFFAOYSA-N -1 3 401.269 4.017 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000427183374 856696895 /nfs/dbraw/zinc/69/68/95/856696895.db2.gz VWEOAIHURQCGON-IAGOWNOFSA-N -1 3 416.518 4.197 20 0 HIADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4nc([C@H]5CCCO5)[nH]c4c3)cc2s1 ZINC000427202725 856710706 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O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000469198940 883300051 /nfs/dbraw/zinc/30/00/51/883300051.db2.gz NRJYYRJYDLHOAS-SFHVURJKSA-N -1 3 424.472 4.021 20 0 HIADHM Cc1cc(-c2noc([C@H](C)NC(=O)CCCc3ccc([O-])c(F)c3)n2)ccc1F ZINC000469275115 883374708 /nfs/dbraw/zinc/37/47/08/883374708.db2.gz ZLVRYTJWDNQPAH-ZDUSSCGKSA-N -1 3 401.413 4.229 20 0 HIADHM Cc1cc(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)ccc1F ZINC000469444336 883637552 /nfs/dbraw/zinc/63/75/52/883637552.db2.gz JTUMORNBXZGHPV-UHFFFAOYSA-N -1 3 423.669 4.322 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000469450099 883651056 /nfs/dbraw/zinc/65/10/56/883651056.db2.gz KMJUAJNATSUBOL-LBPRGKRZSA-N -1 3 401.482 4.207 20 0 HIADHM CCc1ccccc1CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469707748 883881023 /nfs/dbraw/zinc/88/10/23/883881023.db2.gz OCLDEKFTDQQIQL-UHFFFAOYSA-N -1 3 419.706 4.436 20 0 HIADHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000469803995 883978379 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JEAKCZUOMLGWJW-UHFFFAOYSA-N -1 3 416.474 4.097 20 0 HIADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccccc3Cl)n2)cc1 ZINC000471873683 886653372 /nfs/dbraw/zinc/65/33/72/886653372.db2.gz ZWAHKIDYWRFFHN-CYBMUJFWSA-N -1 3 405.907 4.133 20 0 HIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000472102355 886894165 /nfs/dbraw/zinc/89/41/65/886894165.db2.gz QVOUVMOLQBBKRP-OXJNMPFZSA-N -1 3 403.475 4.327 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@H]3c3cc(OC)ccc3OC)c2)n1 ZINC000472125159 886914663 /nfs/dbraw/zinc/91/46/63/886914663.db2.gz ZSEWRSLBWPNOQQ-AZUAARDMSA-N -1 3 419.481 4.171 20 0 HIADHM CCCN(C(=O)c1cc([O-])c2ccccc2c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000472156357 886955567 /nfs/dbraw/zinc/95/55/67/886955567.db2.gz NQWBWNYCPZEMAT-UHFFFAOYSA-N -1 3 418.541 4.473 20 0 HIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1nc2ccccc2n1C(F)F ZINC000472324866 887159064 /nfs/dbraw/zinc/15/90/64/887159064.db2.gz HGEUXEBUIRCGCM-UHFFFAOYSA-N -1 3 423.416 4.146 20 0 HIADHM O=C([N-]c1c(F)cc(F)cc1F)c1cc(F)c(F)cc1I ZINC000472357514 887192282 /nfs/dbraw/zinc/19/22/82/887192282.db2.gz ARUQKDCCNFIFQP-UHFFFAOYSA-N -1 3 413.083 4.239 20 0 HIADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccccc2SC(C)C)cc1 ZINC000473070964 887890180 /nfs/dbraw/zinc/89/01/80/887890180.db2.gz QVBJXQMXVSHIGD-UHFFFAOYSA-N -1 3 422.572 4.355 20 0 HIADHM O=c1nc(CN2CCSC[C@H]2c2nccs2)[n-]c2scc(-c3ccco3)c21 ZINC000473451594 888176382 /nfs/dbraw/zinc/17/63/82/888176382.db2.gz WVTPPUKMYTUGGZ-LBPRGKRZSA-N -1 3 416.553 4.404 20 0 HIADHM Cc1ccsc1-c1nc(=NC(=O)NC[C@@H](c2cccs2)N2CCCC2)s[n-]1 ZINC000473823679 888654666 /nfs/dbraw/zinc/65/46/66/888654666.db2.gz MFNRCTQLAIMQMO-ZDUSSCGKSA-N -1 3 419.601 4.017 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000473940075 888817212 /nfs/dbraw/zinc/81/72/12/888817212.db2.gz KJGREDVYIRJXQR-SJORKVTESA-N -1 3 416.510 4.089 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000473940075 888817220 /nfs/dbraw/zinc/81/72/20/888817220.db2.gz KJGREDVYIRJXQR-SJORKVTESA-N -1 3 416.510 4.089 20 0 HIADHM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000474091280 888918512 /nfs/dbraw/zinc/91/85/12/888918512.db2.gz WIWOEVHGIUHGKD-YLJYHZDGSA-N -1 3 416.543 4.330 20 0 HIADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000504536491 913314781 /nfs/dbraw/zinc/31/47/81/913314781.db2.gz OJAQXLFVATXISO-UHFFFAOYSA-N -1 3 418.469 4.059 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000474354489 889233742 /nfs/dbraw/zinc/23/37/42/889233742.db2.gz QERQQWAMWCITFK-UHFFFAOYSA-N -1 3 407.518 4.409 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000474535147 889408909 /nfs/dbraw/zinc/40/89/09/889408909.db2.gz ACSDMXZFBUVCQO-UHFFFAOYSA-N -1 3 418.925 4.080 20 0 HIADHM COc1ccc(NC(=O)[C@@H]2C[C@H]2C(C)C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000475284494 890183762 /nfs/dbraw/zinc/18/37/62/890183762.db2.gz YACJHKLPIKJRBS-LSDHHAIUSA-N -1 3 422.934 4.380 20 0 HIADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)c(F)c1 ZINC000475988309 890905484 /nfs/dbraw/zinc/90/54/84/890905484.db2.gz HLKQKUQUZDPTSY-UHFFFAOYSA-N -1 3 403.460 4.008 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCn3c(C)nc4ccccc43)c2)n1 ZINC000476009665 890939180 /nfs/dbraw/zinc/93/91/80/890939180.db2.gz IFFHXGSXDPNPBO-UHFFFAOYSA-N -1 3 401.470 4.099 20 0 HIADHM Cc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nnn1-c1ccc(OC(C)C)cc1 ZINC000476130028 891052414 /nfs/dbraw/zinc/05/24/14/891052414.db2.gz BZNNJTSUJLGPJP-UHFFFAOYSA-N -1 3 420.391 4.340 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)C2=CCCCC2)cc1Cl ZINC000476226131 891150920 /nfs/dbraw/zinc/15/09/20/891150920.db2.gz VJGHNWSNERJGCQ-UHFFFAOYSA-N -1 3 402.919 4.242 20 0 HIADHM Cc1ccc(-c2cc(C(=O)[N-]c3ncc(F)cc3I)on2)cc1 ZINC000476225875 891151387 /nfs/dbraw/zinc/15/13/87/891151387.db2.gz UGRPROYTRXABGR-UHFFFAOYSA-N -1 3 423.185 4.041 20 0 HIADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000476256034 891178217 /nfs/dbraw/zinc/17/82/17/891178217.db2.gz GUKFFIRXOWWXON-UHFFFAOYSA-N -1 3 409.349 4.467 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2coc3cc(F)ccc32)CC1 ZINC000476339282 891243982 /nfs/dbraw/zinc/24/39/82/891243982.db2.gz SWVAOXDXRRMXAL-UHFFFAOYSA-N -1 3 416.836 4.422 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc1C ZINC000476414117 891328237 /nfs/dbraw/zinc/32/82/37/891328237.db2.gz MDBJNWSYQZSAFS-UHFFFAOYSA-N -1 3 416.474 4.226 20 0 HIADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc1C ZINC000476424268 891337502 /nfs/dbraw/zinc/33/75/02/891337502.db2.gz NXRWOLKFHATBLI-UHFFFAOYSA-N -1 3 416.474 4.226 20 0 HIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1 ZINC000476918191 891867644 /nfs/dbraw/zinc/86/76/44/891867644.db2.gz CXWXMMSVGZHFLE-UHFFFAOYSA-N -1 3 412.540 4.385 20 0 HIADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)cc1 ZINC000477450138 892404384 /nfs/dbraw/zinc/40/43/84/892404384.db2.gz HSPOCIBSAPRGSJ-UHFFFAOYSA-N -1 3 416.499 4.175 20 0 HIADHM CC(C)c1c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cnn1-c1ccccc1Cl ZINC000477838854 892898401 /nfs/dbraw/zinc/89/84/01/892898401.db2.gz UYHXCOAJVJRIIN-UHFFFAOYSA-N -1 3 421.892 4.005 20 0 HIADHM CC(C)c1c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cnn1-c1ccccc1Cl ZINC000477838854 892898405 /nfs/dbraw/zinc/89/84/05/892898405.db2.gz UYHXCOAJVJRIIN-UHFFFAOYSA-N -1 3 421.892 4.005 20 0 HIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(COc3ccccc3OC)o2)c1F ZINC000478093579 893258425 /nfs/dbraw/zinc/25/84/25/893258425.db2.gz UUUIOPPMRFIQOF-UHFFFAOYSA-N -1 3 417.364 4.184 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(-c4ccccc4C)c3C(C)C)nc21 ZINC000478329479 893562784 /nfs/dbraw/zinc/56/27/84/893562784.db2.gz SWGOSNUERPRIAC-UHFFFAOYSA-N -1 3 417.469 4.219 20 0 HIADHM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccccc3Cn3ccnc3)c2C1 ZINC000479130968 894400003 /nfs/dbraw/zinc/40/00/03/894400003.db2.gz FUEDPMLBRXLHCK-GOSISDBHSA-N -1 3 424.570 4.236 20 0 HIADHM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(F)c(NC(C)=O)c3)c2C1 ZINC000479148110 894417135 /nfs/dbraw/zinc/41/71/35/894417135.db2.gz OWIKKTHZHSGXKO-AWEZNQCLSA-N -1 3 419.522 4.089 20 0 HIADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)c1C ZINC000479239763 894503138 /nfs/dbraw/zinc/50/31/38/894503138.db2.gz FSMRJHFPSVWKMD-LJQANCHMSA-N -1 3 402.560 4.114 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3-c3nnc(C)o3)c2)n1 ZINC000479687724 894975043 /nfs/dbraw/zinc/97/50/43/894975043.db2.gz NODUXQMJLNXKPV-UHFFFAOYSA-N -1 3 401.426 4.022 20 0 HIADHM CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000479764824 895064661 /nfs/dbraw/zinc/06/46/61/895064661.db2.gz MXFQGSAJZLGIKS-OAHLLOKOSA-N -1 3 413.315 4.384 20 0 HIADHM c1nc2nc(=N[C@@H]3CSc4ccccc43)cc(N[C@@H]3CSc4ccccc43)n2[n-]1 ZINC000480011925 895362434 /nfs/dbraw/zinc/36/24/34/895362434.db2.gz BBXLIXWWLBOHMX-HZPDHXFCSA-N -1 3 418.551 4.064 20 0 HIADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CCc3ccccc3)C(F)(F)F)cc2)co1 ZINC000480050821 895398075 /nfs/dbraw/zinc/39/80/75/895398075.db2.gz ZIZPDLNQRHRXEP-IBGZPJMESA-N -1 3 424.444 4.492 20 0 HIADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccc(OCC(F)(F)F)cc1 ZINC000480147182 895529439 /nfs/dbraw/zinc/52/94/39/895529439.db2.gz AHILORMUOPWSTG-UHFFFAOYSA-N -1 3 401.193 4.130 20 0 HIADHM O=S(=O)([N-]CC1CCN(c2ccccc2)CC1)c1ccc(F)cc1C(F)(F)F ZINC000480451655 895838956 /nfs/dbraw/zinc/83/89/56/895838956.db2.gz XUPGJWCCLVDSDK-UHFFFAOYSA-N -1 3 416.440 4.039 20 0 HIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000480457497 895843873 /nfs/dbraw/zinc/84/38/73/895843873.db2.gz BFJSYIYNKUSYKO-RBUKOAKNSA-N -1 3 400.438 4.386 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)c2)n1 ZINC000480507332 895875612 /nfs/dbraw/zinc/87/56/12/895875612.db2.gz YEPVWSMEEDLBRY-UHFFFAOYSA-N -1 3 415.453 4.063 20 0 HIADHM O=S(=O)([N-]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000480673003 896036821 /nfs/dbraw/zinc/03/68/21/896036821.db2.gz PRKQPUHHTFRHHT-CXAGYDPISA-N -1 3 419.852 4.415 20 0 HIADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)C(F)(F)F)c1ccccc1-c1ccno1 ZINC000480773202 896136421 /nfs/dbraw/zinc/13/64/21/896136421.db2.gz RZCQYIJHYQLPQG-MRXNPFEDSA-N -1 3 400.353 4.063 20 0 HIADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(=O)[n-]1 ZINC000505374088 914038253 /nfs/dbraw/zinc/03/82/53/914038253.db2.gz ZDAMZQUZVOMNRW-HNNXBMFYSA-N -1 3 421.341 4.170 20 0 HIADHM Cc1csc(Sc2ccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2)n1 ZINC000480800645 896168612 /nfs/dbraw/zinc/16/86/12/896168612.db2.gz OEVLODMNFJEVCX-UHFFFAOYSA-N -1 3 414.438 4.061 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000480821248 896195593 /nfs/dbraw/zinc/19/55/93/896195593.db2.gz HNBVXWQHGMMHLW-UHFFFAOYSA-N -1 3 403.792 4.120 20 0 HIADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000481018495 896348893 /nfs/dbraw/zinc/34/88/93/896348893.db2.gz XNFDTUBOEABRHR-RBUKOAKNSA-N -1 3 422.547 4.031 20 0 HIADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)c(C)c1 ZINC000481095168 896416448 /nfs/dbraw/zinc/41/64/48/896416448.db2.gz SBBHIKJNPOEHLD-UHFFFAOYSA-N -1 3 404.532 4.488 20 0 HIADHM Cc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000481108432 896431723 /nfs/dbraw/zinc/43/17/23/896431723.db2.gz DFPNKKXSSKSLKS-UHFFFAOYSA-N -1 3 404.532 4.286 20 0 HIADHM O=C(c1ccc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)nc1)N1CCCC1 ZINC000481379612 896778435 /nfs/dbraw/zinc/77/84/35/896778435.db2.gz MAWLPXNMRQLBLO-UHFFFAOYSA-N -1 3 406.467 4.005 20 0 HIADHM O=S(=O)([N-]c1cc([C@H]2CCCOC2)n[nH]1)c1ccc(OCC2CCCCC2)cc1 ZINC000481849632 897216078 /nfs/dbraw/zinc/21/60/78/897216078.db2.gz XECPACATUWTVJX-KRWDZBQOSA-N -1 3 419.547 4.064 20 0 HIADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000481874699 897248126 /nfs/dbraw/zinc/24/81/26/897248126.db2.gz YAJCGJMTPPTKGW-UHFFFAOYSA-N -1 3 412.555 4.146 20 0 HIADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Br)c1cncc(Cl)c1 ZINC000481895487 897273095 /nfs/dbraw/zinc/27/30/95/897273095.db2.gz XGOMMHFHNWBTSK-UHFFFAOYSA-N -1 3 415.618 4.317 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)c2)n1 ZINC000482124882 897580633 /nfs/dbraw/zinc/58/06/33/897580633.db2.gz SZOUIKFCENMXKF-UHFFFAOYSA-N -1 3 412.449 4.223 20 0 HIADHM CCCOCc1ccccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482283341 897776573 /nfs/dbraw/zinc/77/65/73/897776573.db2.gz OWFVGSORBQYHPP-UHFFFAOYSA-N -1 3 407.308 4.081 20 0 HIADHM CCOc1ccc([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000482291069 897786402 /nfs/dbraw/zinc/78/64/02/897786402.db2.gz OFBGKOLZPROFHK-GFCCVEGCSA-N -1 3 423.307 4.122 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000482351582 897864619 /nfs/dbraw/zinc/86/46/19/897864619.db2.gz QAEXDJPXQWHCAT-OAHLLOKOSA-N -1 3 409.255 4.007 20 0 HIADHM COc1ccccc1CSc1ccccc1[N-]C(=O)c1cc(Cn2cccn2)on1 ZINC000482570891 898165910 /nfs/dbraw/zinc/16/59/10/898165910.db2.gz FCQFWGZTCNBUEE-UHFFFAOYSA-N -1 3 420.494 4.473 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000482829677 898438295 /nfs/dbraw/zinc/43/82/95/898438295.db2.gz KJAKTAZAMZMMCS-CYBMUJFWSA-N -1 3 415.828 4.127 20 0 HIADHM CCc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)ccc1C ZINC000482847724 898458211 /nfs/dbraw/zinc/45/82/11/898458211.db2.gz DSUNCDZQWWCKPY-UHFFFAOYSA-N -1 3 401.463 4.078 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000482915239 898533102 /nfs/dbraw/zinc/53/31/02/898533102.db2.gz KOTVHYGAOXRTRF-HNNXBMFYSA-N -1 3 423.826 4.260 20 0 HIADHM COc1cc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000482962711 898593197 /nfs/dbraw/zinc/59/31/97/898593197.db2.gz LTVZXNFBNRRCFQ-HNNXBMFYSA-N -1 3 406.276 4.149 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)cc2)n1 ZINC000483322525 898950376 /nfs/dbraw/zinc/95/03/76/898950376.db2.gz HVZGAOQRAZHXIT-KRWDZBQOSA-N -1 3 401.388 4.420 20 0 HIADHM COc1ccc(OC(C)C)c(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000483323952 898952523 /nfs/dbraw/zinc/95/25/23/898952523.db2.gz NSPAISFQTXXMHL-UHFFFAOYSA-N -1 3 409.280 4.272 20 0 HIADHM Cc1ccc(OC2CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)cc1C ZINC000483707340 899362584 /nfs/dbraw/zinc/36/25/84/899362584.db2.gz VUFWHVHDZHCUMN-UHFFFAOYSA-N -1 3 412.436 4.107 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NCc3cc(-c4ccccc4)no3)cc2)cc(=O)[n-]1 ZINC000505648975 914348111 /nfs/dbraw/zinc/34/81/11/914348111.db2.gz RCAXMKFJLZAVJO-UHFFFAOYSA-N -1 3 401.426 4.134 20 0 HIADHM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(CN(C)C)c1 ZINC000505653087 914349653 /nfs/dbraw/zinc/34/96/53/914349653.db2.gz BAAGXWVHLOMZRS-UHFFFAOYSA-N -1 3 423.538 4.110 20 0 HIADHM CCCOc1ccc(CN(Cc2ccccc2)C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000484341456 899891955 /nfs/dbraw/zinc/89/19/55/899891955.db2.gz OFLKARGXMSMVBB-UHFFFAOYSA-N -1 3 419.525 4.359 20 0 HIADHM Cc1nc(C)c(CCC(=O)N(Cc2ccccc2Br)CC(C)C)c(=O)[n-]1 ZINC000484839510 900240417 /nfs/dbraw/zinc/24/04/17/900240417.db2.gz FHNUSZKBPZXDSI-UHFFFAOYSA-N -1 3 420.351 4.179 20 0 HIADHM CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485119128 900424180 /nfs/dbraw/zinc/42/41/80/900424180.db2.gz LBOZDOVIBPOTNM-UHFFFAOYSA-N -1 3 424.848 4.217 20 0 HIADHM CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485119128 900424187 /nfs/dbraw/zinc/42/41/87/900424187.db2.gz LBOZDOVIBPOTNM-UHFFFAOYSA-N -1 3 424.848 4.217 20 0 HIADHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485128718 900432058 /nfs/dbraw/zinc/43/20/58/900432058.db2.gz XMXUXHAYBMONLS-WBMJQRKESA-N -1 3 401.426 4.065 20 0 HIADHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485128718 900432065 /nfs/dbraw/zinc/43/20/65/900432065.db2.gz XMXUXHAYBMONLS-WBMJQRKESA-N -1 3 401.426 4.065 20 0 HIADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n1 ZINC000485222068 900508373 /nfs/dbraw/zinc/50/83/73/900508373.db2.gz WKMGELYQLPFNGE-UHFFFAOYSA-N -1 3 405.863 4.154 20 0 HIADHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1cc(Cl)ccc1Br ZINC000485435306 900732196 /nfs/dbraw/zinc/73/21/96/900732196.db2.gz GWMFPXIBUSTVAQ-UHFFFAOYSA-N -1 3 417.737 4.191 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000485450095 900744427 /nfs/dbraw/zinc/74/44/27/900744427.db2.gz LGVYHCGEJOXRIC-IBGZPJMESA-N -1 3 412.287 4.139 20 0 HIADHM CCCCc1nc(NC(=O)c2cnc3onc(C(C)(C)C)c3c2)c(C(=O)OCC)[n-]1 ZINC000485669626 900919526 /nfs/dbraw/zinc/91/95/26/900919526.db2.gz OQINXCCXFKMCPF-UHFFFAOYSA-N -1 3 413.478 4.015 20 0 HIADHM CCCCc1nc(NC(=O)c2cc(C)nc3onc(C(C)C)c32)c(C(=O)OCC)[n-]1 ZINC000485671950 900923425 /nfs/dbraw/zinc/92/34/25/900923425.db2.gz YUTSDNBMVAWMMG-UHFFFAOYSA-N -1 3 413.478 4.149 20 0 HIADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)no1 ZINC000485947404 901167397 /nfs/dbraw/zinc/16/73/97/901167397.db2.gz QBUYKYUPJSJDTN-UHFFFAOYSA-N -1 3 414.936 4.336 20 0 HIADHM O=c1cc(C=Cc2ccc(OC(F)F)c(Br)c2)nc(-c2ccncc2)[n-]1 ZINC000486055540 901253046 /nfs/dbraw/zinc/25/30/46/901253046.db2.gz ZYNFUTGPMVOEAO-HNQUOIGGSA-N 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ZINC000488162729 902657506 /nfs/dbraw/zinc/65/75/06/902657506.db2.gz XMOAKXXIGQZJJB-GFCCVEGCSA-N -1 3 417.815 4.414 20 0 HIADHM CC[C@H](c1nnc([N-]C(=O)c2cc(C)nc(C(F)(F)F)n2)s1)c1ccccc1 ZINC000488333524 902769576 /nfs/dbraw/zinc/76/95/76/902769576.db2.gz NERWUTJLLYIJCM-LBPRGKRZSA-N -1 3 407.421 4.450 20 0 HIADHM O=S(=O)([N-][C@H](c1ccccc1)[C@H]1CCCO1)c1cc(C(F)(F)F)ccc1F ZINC000488672103 902933119 /nfs/dbraw/zinc/93/31/19/902933119.db2.gz MUWZUFMWJRETQD-NVXWUHKLSA-N -1 3 403.397 4.043 20 0 HIADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000488819240 903023996 /nfs/dbraw/zinc/02/39/96/903023996.db2.gz ASRAFEQYKIYKKO-UHFFFAOYSA-N -1 3 405.413 4.109 20 0 HIADHM O=S(=O)([N-]C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000488939798 903088444 /nfs/dbraw/zinc/08/84/44/903088444.db2.gz ICWICEUKMGJPDF-KDOFPFPSSA-N -1 3 417.424 4.291 20 0 HIADHM O=S(=O)([N-]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000488939797 903088683 /nfs/dbraw/zinc/08/86/83/903088683.db2.gz 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928676876 /nfs/dbraw/zinc/67/68/76/928676876.db2.gz ADVZBJIWHAPRIB-UHFFFAOYSA-N -1 3 405.479 4.252 20 0 HIADHM O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000520736477 928785647 /nfs/dbraw/zinc/78/56/47/928785647.db2.gz XCRAMSJEUQIJHH-UHFFFAOYSA-N -1 3 408.845 4.478 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1C(N)=O ZINC000520870056 928853413 /nfs/dbraw/zinc/85/34/13/928853413.db2.gz PKTFUHCELMLYFH-UHFFFAOYSA-N -1 3 416.886 4.340 20 0 HIADHM CC1CCC(N(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C2CC2)CC1 ZINC000520999404 928917345 /nfs/dbraw/zinc/91/73/45/928917345.db2.gz SPVGBPWBWCKKHG-UHFFFAOYSA-N -1 3 419.522 4.138 20 0 HIADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000521135654 929016885 /nfs/dbraw/zinc/01/68/85/929016885.db2.gz KQGOXJWNIJBJLM-UHFFFAOYSA-N -1 3 401.495 4.089 20 0 HIADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000521135654 929016897 /nfs/dbraw/zinc/01/68/97/929016897.db2.gz KQGOXJWNIJBJLM-UHFFFAOYSA-N -1 3 401.495 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929921894 /nfs/dbraw/zinc/92/18/94/929921894.db2.gz RBCQDVZAVVKNEP-UHFFFAOYSA-N -1 3 413.441 4.071 20 0 HIADHM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1NC(=O)Nc1ccccc1 ZINC000524958763 929921903 /nfs/dbraw/zinc/92/19/03/929921903.db2.gz RBCQDVZAVVKNEP-UHFFFAOYSA-N -1 3 413.441 4.071 20 0 HIADHM COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000525100000 930034894 /nfs/dbraw/zinc/03/48/94/930034894.db2.gz VGZKFXRXPBEBEQ-HSZRJFAPSA-N -1 3 419.525 4.067 20 0 HIADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1NC(=O)Nc1ccccc1 ZINC000525458969 930253892 /nfs/dbraw/zinc/25/38/92/930253892.db2.gz GBFFJXVLCOUFSS-UHFFFAOYSA-N -1 3 413.441 4.071 20 0 HIADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1NC(=O)Nc1ccccc1 ZINC000525458969 930253903 /nfs/dbraw/zinc/25/39/03/930253903.db2.gz GBFFJXVLCOUFSS-UHFFFAOYSA-N -1 3 413.441 4.071 20 0 HIADHM COc1ccc(Br)cc1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000525674577 930399466 /nfs/dbraw/zinc/39/94/66/930399466.db2.gz AIQIBHILULJBFW-UHFFFAOYSA-N -1 3 415.081 4.107 20 0 HIADHM CC(C)(C)c1nc(CN2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)cs1 ZINC000525921655 930483822 /nfs/dbraw/zinc/48/38/22/930483822.db2.gz YZALFPJOOLXEKK-UHFFFAOYSA-N -1 3 409.555 4.257 20 0 HIADHM O=C(c1cc([O-])c2ccccc2c1)N(CCO)Cc1cc(Br)ccc1F ZINC000525927983 930485761 /nfs/dbraw/zinc/48/57/61/930485761.db2.gz KUMFYKSXOKXZBR-UHFFFAOYSA-N -1 3 418.262 4.082 20 0 HIADHM CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000526914859 930548564 /nfs/dbraw/zinc/54/85/64/930548564.db2.gz HRIQKYDOBROJBE-KRWDZBQOSA-N -1 3 420.509 4.332 20 0 HIADHM COC(=O)c1csc(-c2cccc(CNC(=O)c3cc([O-])c4ccccc4c3)c2)n1 ZINC000527184667 930608558 /nfs/dbraw/zinc/60/85/58/930608558.db2.gz NVIQDIROODKKBR-UHFFFAOYSA-N -1 3 418.474 4.386 20 0 HIADHM O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000527448596 930658320 /nfs/dbraw/zinc/65/83/20/930658320.db2.gz WBCUXCNVKRLJOY-UHFFFAOYSA-N -1 3 409.873 4.085 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(F)cc(NCC(F)(F)F)c3)c[n-]c12 ZINC000527497975 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O=S(=O)([N-]c1cc(Br)ccc1F)c1ccccc1Br ZINC000037575794 848174505 /nfs/dbraw/zinc/17/45/05/848174505.db2.gz WUAOCRCPVHSORU-UHFFFAOYSA-N -1 3 409.074 4.152 20 0 HIADHM Cc1csc(Nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2)n1 ZINC000436630970 861875258 /nfs/dbraw/zinc/87/52/58/861875258.db2.gz RFHVJVCGJJOVIB-GOSISDBHSA-N -1 3 422.510 4.144 20 0 HIADHM Cc1cc(C(C#N)=C([O-])c2nc(-c3ccc(F)cc3)n3c2CCCCC3)nc(C)n1 ZINC000041559936 848233394 /nfs/dbraw/zinc/23/33/94/848233394.db2.gz PYMHDUUZHWOULJ-SFHVURJKSA-N -1 3 403.461 4.313 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC(C)C)c2ccccc2)c1 ZINC000436673371 861890009 /nfs/dbraw/zinc/89/00/09/861890009.db2.gz JLDDGGQCDWFKDQ-HXUWFJFHSA-N -1 3 407.470 4.458 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)C(C)(C)c2ccccc2)c1 ZINC000436672508 861890094 /nfs/dbraw/zinc/89/00/94/861890094.db2.gz ZCEHGZYQSSTFAV-OAHLLOKOSA-N -1 3 407.470 4.037 20 0 HIADHM Cc1ccccc1NC(=O)[C@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000042742962 848350110 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IOUSIXULXJJLPO-UHFFFAOYSA-N -1 3 407.942 4.376 20 0 HIADHM CC(=O)c1cccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000047334599 849027597 /nfs/dbraw/zinc/02/75/97/849027597.db2.gz YBWXXDWRFSXFOW-UHFFFAOYSA-N -1 3 415.877 4.131 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)c1 ZINC000436784310 861976609 /nfs/dbraw/zinc/97/66/09/861976609.db2.gz PKMZRLSADQLLGC-MAUKXSAKSA-N -1 3 419.481 4.349 20 0 HIADHM COc1ccc([C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])c2ccc(C)cc2)cc1 ZINC000436787165 861978663 /nfs/dbraw/zinc/97/86/63/861978663.db2.gz MVNSMRLLEXZQEY-HSZRJFAPSA-N -1 3 404.466 4.187 20 0 HIADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3ccc(-n4cccc4)cc3)nc(=O)c2c1C ZINC000047804591 849117567 /nfs/dbraw/zinc/11/75/67/849117567.db2.gz GDBPIDMIAIJUJM-AWEZNQCLSA-N -1 3 407.495 4.239 20 0 HIADHM O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048030234 849151957 /nfs/dbraw/zinc/15/19/57/849151957.db2.gz WVKXLEZLOJYJBT-NRFANRHFSA-N -1 3 401.466 4.379 20 0 HIADHM Cc1c(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cccc1N1CCNC1=O ZINC000436823822 862005027 /nfs/dbraw/zinc/00/50/27/862005027.db2.gz XHMDVFBIHMCIFG-UHFFFAOYSA-N -1 3 415.493 4.268 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Br)cc3F)c2)n1 ZINC000049302480 849302195 /nfs/dbraw/zinc/30/21/95/849302195.db2.gz UAQXRHWHXYTXJU-UHFFFAOYSA-N -1 3 416.250 4.153 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)n1 ZINC000049304519 849303288 /nfs/dbraw/zinc/30/32/88/849303288.db2.gz IAXYQUSIIZKTOT-UHFFFAOYSA-N -1 3 401.388 4.199 20 0 HIADHM C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436823584 862005928 /nfs/dbraw/zinc/00/59/28/862005928.db2.gz VTADPEKZVAFKHN-MRXNPFEDSA-N -1 3 414.933 4.038 20 0 HIADHM O=C(NCc1ccco1)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436828490 862010625 /nfs/dbraw/zinc/01/06/25/862010625.db2.gz YOZISXPTPLYWJW-UHFFFAOYSA-N -1 3 405.454 4.438 20 0 HIADHM CC(C)[C@@H]1N(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC12CCC2 ZINC000436833268 862011991 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416.275 4.368 20 0 HIADHM [O-]c1ccccc1-c1nc(C2(c3ccc(Br)cc3)CCOCC2)no1 ZINC000436881395 862060262 /nfs/dbraw/zinc/06/02/62/862060262.db2.gz NNDCDCZPEARVQT-UHFFFAOYSA-N -1 3 401.260 4.301 20 0 HIADHM O=C(Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1)NC1CCCCC1 ZINC000436887314 862063786 /nfs/dbraw/zinc/06/37/86/862063786.db2.gz NRAOOQXGFGBHNC-UHFFFAOYSA-N -1 3 407.470 4.013 20 0 HIADHM CC1(C)Cc2ccc(-c3nc(Cc4nc5ccccc5n4C(F)F)no3)c([O-])c2O1 ZINC000436890107 862066566 /nfs/dbraw/zinc/06/65/66/862066566.db2.gz BBLOUMTWWJFHES-UHFFFAOYSA-N -1 3 412.396 4.491 20 0 HIADHM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)cc1 ZINC000055579959 850060957 /nfs/dbraw/zinc/06/09/57/850060957.db2.gz HJWIQXPXNZLMGZ-PEZBUJJGSA-N -1 3 408.527 4.393 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cnc2ccccc2c1 ZINC000436909481 862087113 /nfs/dbraw/zinc/08/71/13/862087113.db2.gz AMSKUMNNVKIEEW-QHCPKHFHSA-N -1 3 411.461 4.440 20 0 HIADHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)[C@@H]1CCc2ccccc21 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Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1(Cc2cccc(F)c2)CCOCC1 ZINC000549524835 941198040 /nfs/dbraw/zinc/19/80/40/941198040.db2.gz OXHYVJSUWPRPRZ-UHFFFAOYSA-N -1 3 421.465 4.090 20 0 HIADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000550634103 941348330 /nfs/dbraw/zinc/34/83/30/941348330.db2.gz KBPGZYKTJSTFJR-AWEZNQCLSA-N -1 3 414.449 4.284 20 0 HIADHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000550634112 941348637 /nfs/dbraw/zinc/34/86/37/941348637.db2.gz KBPGZYKTJSTFJR-CQSZACIVSA-N -1 3 414.449 4.284 20 0 HIADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000550656125 941350946 /nfs/dbraw/zinc/35/09/46/941350946.db2.gz KRUKZUDMGWWSBK-HNNXBMFYSA-N -1 3 403.408 4.017 20 0 HIADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000550656125 941350949 /nfs/dbraw/zinc/35/09/49/941350949.db2.gz KRUKZUDMGWWSBK-HNNXBMFYSA-N -1 3 403.408 4.017 20 0 HIADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)NC)ccc2Cl)c1 ZINC000551107823 941411228 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405.845 4.279 20 0 HIADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000552160031 941595068 /nfs/dbraw/zinc/59/50/68/941595068.db2.gz VMIFEWDACDTBPF-IBGZPJMESA-N -1 3 405.845 4.279 20 0 HIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000552782495 941761003 /nfs/dbraw/zinc/76/10/03/941761003.db2.gz QPFYPXFRQBIOBN-UHFFFAOYSA-N -1 3 406.825 4.094 20 0 HIADHM CCCN(CCC)C(=O)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000552842649 941785999 /nfs/dbraw/zinc/78/59/99/941785999.db2.gz JAIHHFDUAGKQRB-UHFFFAOYSA-N -1 3 423.488 4.490 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000553046620 941823959 /nfs/dbraw/zinc/82/39/59/941823959.db2.gz YCIOFINKZXTSHI-INIZCTEOSA-N -1 3 412.493 4.104 20 0 HIADHM CCc1c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cnn1-c1ccccc1C ZINC000553168457 941843775 /nfs/dbraw/zinc/84/37/75/941843775.db2.gz JSFPFUBMOUNDQM-UHFFFAOYSA-N -1 3 404.445 4.284 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3c[nH]c(C(F)(F)F)c3)cc2)cc1 ZINC000553219648 941852065 /nfs/dbraw/zinc/85/20/65/941852065.db2.gz GDUUHRGEQXLEAO-UHFFFAOYSA-N -1 3 423.416 4.395 20 0 HIADHM CC[C@@H]1CN(C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c2cccc(Cl)c2O1 ZINC000553456880 941888058 /nfs/dbraw/zinc/88/80/58/941888058.db2.gz YEDLIDIQZUTMPI-CYBMUJFWSA-N -1 3 400.837 4.447 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CCOCc2ccccc2)s1 ZINC000553576719 941912282 /nfs/dbraw/zinc/91/22/82/941912282.db2.gz IARARYYXXIYNKT-LBPRGKRZSA-N -1 3 418.378 4.093 20 0 HIADHM CNC(=O)c1cc(Oc2cccc(NC(=O)CCCc3ccc([O-])c(F)c3)c2)ccn1 ZINC000553780046 941966485 /nfs/dbraw/zinc/96/64/85/941966485.db2.gz FQMYWISCCHVNHW-UHFFFAOYSA-N -1 3 423.444 4.040 20 0 HIADHM O=S(=O)([N-]Cc1cccc(OCc2ccccc2)c1)c1cccnc1C(F)(F)F ZINC000553786252 941968303 /nfs/dbraw/zinc/96/83/03/941968303.db2.gz NQMSOBWHQYWBGR-UHFFFAOYSA-N -1 3 422.428 4.158 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](CCO)c3ccc(Cl)cc3)cc2)cc(=O)[n-]1 ZINC000554401113 942127431 /nfs/dbraw/zinc/12/74/31/942127431.db2.gz JOAIARUREWNZAM-SFHVURJKSA-N -1 3 412.877 4.056 20 0 HIADHM COc1ccc(-n2c(SCc3ncccc3[O-])nnc2-c2cccc(OC)c2)cc1 ZINC000555874276 942761843 /nfs/dbraw/zinc/76/18/43/942761843.db2.gz QTYJQOCVBDLEPM-UHFFFAOYSA-N -1 3 420.494 4.344 20 0 HIADHM CO[C@@H](c1noc(-c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1)C(C)C ZINC000556011698 942785877 /nfs/dbraw/zinc/78/58/77/942785877.db2.gz WKKIRVDMQJOTKF-QGZVFWFLSA-N -1 3 405.451 4.020 20 0 HIADHM C[C@H](SC[C@H]1CCCS(=O)(=O)C1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000556293186 942834830 /nfs/dbraw/zinc/83/48/30/942834830.db2.gz PXQHOLURFUBBTR-NWDGAFQWSA-N -1 3 424.569 4.276 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)o1 ZINC000556358251 942849515 /nfs/dbraw/zinc/84/95/15/942849515.db2.gz QHBRKEGPWXZYFC-KRWDZBQOSA-N -1 3 403.422 4.053 20 0 HIADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C2CC2)n1 ZINC000556376891 942851757 /nfs/dbraw/zinc/85/17/57/942851757.db2.gz XDRSSMKBWXNPBO-ZDUSSCGKSA-N -1 3 421.769 4.297 20 0 HIADHM O=C(Nc1c([O-])cccc1Cl)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000557182663 943042884 /nfs/dbraw/zinc/04/28/84/943042884.db2.gz YQUGWYOJXQQFEY-UHFFFAOYSA-N -1 3 420.849 4.238 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000557405938 943108099 /nfs/dbraw/zinc/10/80/99/943108099.db2.gz RPYSAAISJWYBNE-OAHLLOKOSA-N -1 3 406.404 4.389 20 0 HIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc2c(c1)nc(C1CC1)n2C ZINC000557495084 943168431 /nfs/dbraw/zinc/16/84/31/943168431.db2.gz BKBWKRKHSUOTGF-UHFFFAOYSA-N -1 3 413.474 4.123 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000557640062 943244432 /nfs/dbraw/zinc/24/44/32/943244432.db2.gz PBCYBHCOZMSVCR-JTSKRJEESA-N -1 3 416.525 4.073 20 0 HIADHM COC(=O)c1cccc(Cc2cnc(NC(=O)c3cc([O-])ccc3Cl)s2)c1 ZINC000559399419 943935215 /nfs/dbraw/zinc/93/52/15/943935215.db2.gz CATMHCNFYZNHDU-UHFFFAOYSA-N -1 3 402.859 4.132 20 0 HIADHM CCC[C@@H]1C[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCO1 ZINC000559986228 944112709 /nfs/dbraw/zinc/11/27/09/944112709.db2.gz ALTRACYOHYXLAP-TZMCWYRMSA-N -1 3 418.295 4.347 20 0 HIADHM CCc1cccc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)c1[O-] ZINC000560008886 944128390 /nfs/dbraw/zinc/12/83/90/944128390.db2.gz LPHFQOVPDMIDQJ-UHFFFAOYSA-N -1 3 403.320 4.434 20 0 HIADHM CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)c1cccnc1 ZINC000560039235 944136032 /nfs/dbraw/zinc/13/60/32/944136032.db2.gz SDLBDZRYJYLYHV-ZDUSSCGKSA-N -1 3 417.756 4.216 20 0 HIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000561025953 944402115 /nfs/dbraw/zinc/40/21/15/944402115.db2.gz VDBAMDFREKRSSH-LJQANCHMSA-N -1 3 407.470 4.190 20 0 HIADHM COc1cc(C)c(Br)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000561243820 944526494 /nfs/dbraw/zinc/52/64/94/944526494.db2.gz JVOFTBSKRBNMPX-UHFFFAOYSA-N -1 3 419.250 4.307 20 0 HIADHM O=S(=O)([N-][C@H]1c2ccccc2CC12CCOCC2)c1cccc(Cl)c1Cl ZINC000561403355 944581825 /nfs/dbraw/zinc/58/18/25/944581825.db2.gz VJGATEDGVHYPSW-SFHVURJKSA-N -1 3 412.338 4.366 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@H]3CC[C@@H]3C)ccc2C)c(C)c1 ZINC000561449581 944608656 /nfs/dbraw/zinc/60/86/56/944608656.db2.gz XXFLUPGTQMYSLO-LIRRHRJNSA-N -1 3 400.544 4.249 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@H]3C[C@@H]3C(F)F)ccc2C)c(C)c1 ZINC000561695180 944750422 /nfs/dbraw/zinc/75/04/22/944750422.db2.gz DBMJMQHRVVQHKH-WMZOPIPTSA-N -1 3 422.497 4.104 20 0 HIADHM COc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c(C)c1OC ZINC000562105511 944941312 /nfs/dbraw/zinc/94/13/12/944941312.db2.gz AHQRMNCVUXAFFP-CQSZACIVSA-N -1 3 422.485 4.366 20 0 HIADHM Cc1ccc(-c2noc(C(=O)[N-]c3ccc(Cl)c(F)c3)n2)c(N2CCCC2)n1 ZINC000562105442 944941517 /nfs/dbraw/zinc/94/15/17/944941517.db2.gz NTKLPYRGWJXINZ-UHFFFAOYSA-N -1 3 401.829 4.085 20 0 HIADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)Cc2ccc3ccccc3c2)n1 ZINC000564344349 945520127 /nfs/dbraw/zinc/52/01/27/945520127.db2.gz YMJFLUDNJQLEHX-HNNXBMFYSA-N -1 3 423.494 4.079 20 0 HIADHM 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ZINC000436622321 861873513 /nfs/dbraw/zinc/87/35/13/861873513.db2.gz DEJIGTPPZYSWBV-GCJKJVERSA-N -1 3 421.541 4.323 20 0 HIADHM CC1(c2ccccc2)CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436623767 861874333 /nfs/dbraw/zinc/87/43/33/861874333.db2.gz GWGWXYGJZSRENC-XWGIXXMPSA-N -1 3 406.526 4.014 20 0 HIADHM CC(C)c1cnc(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2)o1 ZINC000436627306 861874395 /nfs/dbraw/zinc/87/43/95/861874395.db2.gz SCOBLRAFTPVZCE-LJQANCHMSA-N -1 3 419.481 4.414 20 0 HIADHM CCN(CCc1ccccc1)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436630096 861875051 /nfs/dbraw/zinc/87/50/51/861875051.db2.gz ZHBGCXLPIALRSI-UHFFFAOYSA-N -1 3 423.538 4.043 20 0 HIADHM O=C(Nc1cccc(Nc2ccccc2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436629203 861875129 /nfs/dbraw/zinc/87/51/29/861875129.db2.gz IRDATVYEGJGQJP-OAQYLSRUSA-N -1 3 401.466 4.379 20 0 HIADHM O=C(NCCc1cccc(-c2ccccc2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436631165 861875731 /nfs/dbraw/zinc/87/57/31/861875731.db2.gz SEQVCKPGUVSALV-QHCPKHFHSA-N -1 3 414.505 4.023 20 0 HIADHM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436632219 861876180 /nfs/dbraw/zinc/87/61/80/861876180.db2.gz CKDAXNRUVDADLU-FZKQIMNGSA-N -1 3 421.324 4.051 20 0 HIADHM Cc1cccc(C2(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)CCCCC2)c1 ZINC000436643841 861880060 /nfs/dbraw/zinc/88/00/60/861880060.db2.gz YXFCAXHGRWTHTA-UHFFFAOYSA-N -1 3 420.553 4.324 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1 ZINC000436668168 861888049 /nfs/dbraw/zinc/88/80/49/861888049.db2.gz AEYLHEINMDVSIA-HNNXBMFYSA-N -1 3 419.481 4.382 20 0 HIADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436667443 861888246 /nfs/dbraw/zinc/88/82/46/861888246.db2.gz YGYSGOGAUZHJHC-OAHLLOKOSA-N -1 3 407.470 4.382 20 0 HIADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436667442 861888478 /nfs/dbraw/zinc/88/84/78/861888478.db2.gz YGYSGOGAUZHJHC-HNNXBMFYSA-N -1 3 407.470 4.382 20 0 HIADHM CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1[O-] ZINC000436678443 861891929 /nfs/dbraw/zinc/89/19/29/861891929.db2.gz BOAPPDXRQNKTPT-UHFFFAOYSA-N -1 3 421.478 4.164 20 0 HIADHM CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436692752 861894964 /nfs/dbraw/zinc/89/49/64/861894964.db2.gz ZWBIWRZIKXVJFG-JXFKEZNVSA-N -1 3 412.555 4.375 20 0 HIADHM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436711914 861899585 /nfs/dbraw/zinc/89/95/85/861899585.db2.gz LUEROPLLLJTUCE-UHFFFAOYSA-N -1 3 418.493 4.092 20 0 HIADHM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436713357 861900017 /nfs/dbraw/zinc/90/00/17/861900017.db2.gz DXMIQGYWYKSPJO-MSOLQXFVSA-N -1 3 401.466 4.379 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000436719269 861905028 /nfs/dbraw/zinc/90/50/28/861905028.db2.gz ZGEKITZPOBOPSD-UHFFFAOYSA-N -1 3 424.504 4.369 20 0 HIADHM CC1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000436730606 861915943 /nfs/dbraw/zinc/91/59/43/861915943.db2.gz HHJMPTSMWBTTJD-FKBYEOEOSA-N -1 3 406.526 4.291 20 0 HIADHM Cc1cc(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ccc1F ZINC000045346072 848668903 /nfs/dbraw/zinc/66/89/03/848668903.db2.gz WFZJZTAWQHEXFL-UHFFFAOYSA-N -1 3 419.884 4.053 20 0 HIADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)c2ccccc21 ZINC000436749716 861930003 /nfs/dbraw/zinc/93/00/03/861930003.db2.gz KVFKVHVSNDKAMJ-BTYIYWSLSA-N -1 3 406.457 4.167 20 0 HIADHM O=c1[n-]c(SCc2coc(-c3cccc(F)c3)n2)nc2c1cnn2-c1ccccc1 ZINC000045516806 848687903 /nfs/dbraw/zinc/68/79/03/848687903.db2.gz LEZGNTKKKWLMKL-UHFFFAOYSA-N -1 3 419.441 4.195 20 0 HIADHM CCCCOc1ccc([C@@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000436748610 861931861 /nfs/dbraw/zinc/93/18/61/861931861.db2.gz GXHXVXDMLGJFOP-CQSZACIVSA-N -1 3 403.475 4.088 20 0 HIADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1F ZINC000045881794 848746762 /nfs/dbraw/zinc/74/67/62/848746762.db2.gz JWOLQCGLTTXRHE-UHFFFAOYSA-N -1 3 419.305 4.462 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3cc(C)ccc3Cl)c2)n1 ZINC000046067142 848781150 /nfs/dbraw/zinc/78/11/50/848781150.db2.gz DAKCNSWZLRJXLO-AWEZNQCLSA-N -1 3 411.889 4.367 20 0 HIADHM COc1cccc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000046451823 848851335 /nfs/dbraw/zinc/85/13/35/848851335.db2.gz NJXAIHMADBGWNH-QFIPXVFZSA-N -1 3 405.450 4.005 20 0 HIADHM O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436764775 861954810 /nfs/dbraw/zinc/95/48/10/861954810.db2.gz NGMWONIFJOYXJI-UHFFFAOYSA-N -1 3 416.433 4.086 20 0 HIADHM CCCCCOc1ccc([C@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)cc1OC ZINC000046828731 848943426 /nfs/dbraw/zinc/94/34/26/848943426.db2.gz PYTULNRNTIYXJM-HNNXBMFYSA-N -1 3 417.481 4.109 20 0 HIADHM Cc1c2ccc3ccccc3c2oc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436773537 861966419 /nfs/dbraw/zinc/96/64/19/861966419.db2.gz PSPSCXIFLDOTGT-UHFFFAOYSA-N -1 3 414.461 4.198 20 0 HIADHM Cc1cccc(Nc2nnc(SCc3noc(-c4ccccc4[O-])n3)s2)c1C ZINC000436776889 861970685 /nfs/dbraw/zinc/97/06/85/861970685.db2.gz LABZDZWSMPEMLV-UHFFFAOYSA-N -1 3 411.512 4.946 20 0 HIADHM CCOc1ccc([C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])c2ccccc2)cc1 ZINC000436779825 861972215 /nfs/dbraw/zinc/97/22/15/861972215.db2.gz ACZXRABBSLOJBQ-HSZRJFAPSA-N -1 3 404.466 4.269 20 0 HIADHM COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436785447 861976396 /nfs/dbraw/zinc/97/63/96/861976396.db2.gz FHKABKFNFCDEBM-QFIPXVFZSA-N -1 3 422.456 4.212 20 0 HIADHM COc1ccccc1Oc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436787182 861979409 /nfs/dbraw/zinc/97/94/09/861979409.db2.gz NBGOCBJLUAETGD-UHFFFAOYSA-N -1 3 406.438 4.082 20 0 HIADHM COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc(NC(C)=O)ccc2[O-])C1 ZINC000436785683 861979525 /nfs/dbraw/zinc/97/95/25/861979525.db2.gz FXUMVJWEIRTBFD-HNNXBMFYSA-N -1 3 416.905 4.108 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1 ZINC000436791833 861984674 /nfs/dbraw/zinc/98/46/74/861984674.db2.gz UPAVSIFKBGMIBA-HXUWFJFHSA-N -1 3 406.486 4.259 20 0 HIADHM CCOc1cccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000048120328 849171465 /nfs/dbraw/zinc/17/14/65/849171465.db2.gz BHOUICRDTIJJAD-UHFFFAOYSA-N -1 3 417.893 4.327 20 0 HIADHM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436805421 861993305 /nfs/dbraw/zinc/99/33/05/861993305.db2.gz CZGCWRAELGHKCG-LJQANCHMSA-N -1 3 405.498 4.057 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC(=O)c3cc(C)ccc3C)c2)n1 ZINC000049303933 849303157 /nfs/dbraw/zinc/30/31/57/849303157.db2.gz QRJBSFGQLGPFNO-UHFFFAOYSA-N -1 3 403.482 4.218 20 0 HIADHM CC(C)[C@H]1N(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC12CCC2 ZINC000436833265 862011923 /nfs/dbraw/zinc/01/19/23/862011923.db2.gz XPTRGRNPRZFFII-FYYLOGMGSA-N -1 3 406.526 4.291 20 0 HIADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cc1 ZINC000050534145 849392589 /nfs/dbraw/zinc/39/25/89/849392589.db2.gz ICZHTSRGHZTKMA-UHFFFAOYSA-N -1 3 416.543 4.035 20 0 HIADHM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000436835456 862014376 /nfs/dbraw/zinc/01/43/76/862014376.db2.gz WFSDSVLXDHXLFR-CQSZACIVSA-N -1 3 416.403 4.216 20 0 HIADHM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000436835456 862014394 /nfs/dbraw/zinc/01/43/94/862014394.db2.gz WFSDSVLXDHXLFR-CQSZACIVSA-N -1 3 416.403 4.216 20 0 HIADHM Cn1cc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)c(C(F)(F)F)n1 ZINC000052938399 849646421 /nfs/dbraw/zinc/64/64/21/849646421.db2.gz FHADYSADZPPURN-UHFFFAOYSA-N -1 3 411.453 4.011 20 0 HIADHM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1-c1ccncc1 ZINC000436861812 862042225 /nfs/dbraw/zinc/04/22/25/862042225.db2.gz WAXGEWCHRBXQRT-NRFANRHFSA-N -1 3 401.466 4.006 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cn3ccc4ccc(Cl)cc43)c2)n1 ZINC000053061141 849660736 /nfs/dbraw/zinc/66/07/36/849660736.db2.gz BDHHIZXMMYMHMG-UHFFFAOYSA-N -1 3 406.873 4.246 20 0 HIADHM CC(C)N(CC(F)(F)F)C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000053368655 849700286 /nfs/dbraw/zinc/70/02/86/849700286.db2.gz BEQHXZQUHSQRND-UHFFFAOYSA-N -1 3 408.446 4.312 20 0 HIADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000053741637 849752234 /nfs/dbraw/zinc/75/22/34/849752234.db2.gz YEPJGRUEBKXHEF-UHFFFAOYSA-N -1 3 409.294 4.074 20 0 HIADHM CCCn1ccnc1CCCN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436878441 862056678 /nfs/dbraw/zinc/05/66/78/862056678.db2.gz SFSQXYAUFVXXTO-UHFFFAOYSA-N -1 3 405.542 4.489 20 0 HIADHM Cc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)s1 ZINC000054261374 849834763 /nfs/dbraw/zinc/83/47/63/849834763.db2.gz XKOVJDPVXPKASN-CQSZACIVSA-N -1 3 418.515 4.487 20 0 HIADHM COc1ccc(C(=O)C2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)cc1 ZINC000054886813 849937056 /nfs/dbraw/zinc/93/70/56/849937056.db2.gz VCUADGUPEXXSBV-UHFFFAOYSA-N -1 3 417.465 4.185 20 0 HIADHM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436901083 862078654 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HIADHM CCc1c(C(=O)[N-]c2nnc(-c3ccsc3)s2)nnn1-c1cccc(Cl)c1 ZINC000303409635 854914324 /nfs/dbraw/zinc/91/43/24/854914324.db2.gz QXOAAALOJNUHLG-UHFFFAOYSA-N -1 3 416.919 4.315 20 0 HIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(Cl)c1OC(C)C ZINC000303669001 855120558 /nfs/dbraw/zinc/12/05/58/855120558.db2.gz FVDATIVNADTBRK-UHFFFAOYSA-N -1 3 412.877 4.174 20 0 HIADHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)o1 ZINC000303694635 855138438 /nfs/dbraw/zinc/13/84/38/855138438.db2.gz AAHNJDOKBNPHGO-UHFFFAOYSA-N -1 3 409.863 4.087 20 0 HIADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000303818944 855221235 /nfs/dbraw/zinc/22/12/35/855221235.db2.gz XBLIFNVDKZXPKC-LKFCYVNXSA-N -1 3 424.769 4.219 20 0 HIADHM Cc1c(-c2ccccc2)sc2[n-]c(Cn3cc(Br)cn3)nc(=O)c12 ZINC000303845182 855241761 /nfs/dbraw/zinc/24/17/61/855241761.db2.gz CJFIBEPJUWHWJO-UHFFFAOYSA-N -1 3 401.289 4.380 20 0 HIADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000322813780 855393442 /nfs/dbraw/zinc/39/34/42/855393442.db2.gz UZKPSCCKMSQYCC-UHFFFAOYSA-N -1 3 404.232 4.121 20 0 HIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000326962622 855414148 /nfs/dbraw/zinc/41/41/48/855414148.db2.gz MZURESSLEAWSTE-UHFFFAOYSA-N -1 3 419.300 4.226 20 0 HIADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000327256672 855415838 /nfs/dbraw/zinc/41/58/38/855415838.db2.gz QCWRCDSJDWLJAY-ZWZTZDBGSA-N -1 3 405.709 4.303 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2Br)c(F)c1 ZINC000404926813 855481943 /nfs/dbraw/zinc/48/19/43/855481943.db2.gz KJFKGAVCSNKYML-UHFFFAOYSA-N -1 3 423.101 4.460 20 0 HIADHM CCCc1noc2nc(-c3ccco3)cc(C(=O)[N-]c3nnc(C(F)F)s3)c12 ZINC000409465536 855492963 /nfs/dbraw/zinc/49/29/63/855492963.db2.gz UUCJKKIFPKUNJS-UHFFFAOYSA-N -1 3 405.386 4.477 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(Cl)c2)cc1OC ZINC000409869094 855696692 /nfs/dbraw/zinc/69/66/92/855696692.db2.gz GWJPBBYBZFKPIQ-UHFFFAOYSA-N -1 3 411.907 4.479 20 0 HIADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCC[C@H]3OC(F)F)s2)cs1 ZINC000410165109 855846801 /nfs/dbraw/zinc/84/68/01/855846801.db2.gz PDYGHYNVKHCSJG-ZYHUDNBSSA-N -1 3 408.517 4.009 20 0 HIADHM Cc1c(Cl)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000426392428 856271947 /nfs/dbraw/zinc/27/19/47/856271947.db2.gz YVIPHAJQJPDWDJ-UHFFFAOYSA-N -1 3 406.813 4.291 20 0 HIADHM COc1ccc(OCc2nc(CNC[C@@]3(CC(=O)[O-])CC[C@@H](C)C3)cs2)cc1 ZINC000426638234 856387005 /nfs/dbraw/zinc/38/70/05/856387005.db2.gz PRLIMJKJIGHQCN-VFNWGFHPSA-N -1 3 404.532 4.101 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(OCc4ccccn4)c(F)c3)c[n-]c12 ZINC000426679532 856409484 /nfs/dbraw/zinc/40/94/84/856409484.db2.gz IASKIELRNCBHHG-UHFFFAOYSA-N -1 3 421.403 4.341 20 0 HIADHM Cc1nc(CCCNCc2ccc(Cl)cc2Br)sc1C(=O)[O-] ZINC000426693633 856416459 /nfs/dbraw/zinc/41/64/59/856416459.db2.gz FOVYPKPIDCAUKI-UHFFFAOYSA-N -1 3 403.729 4.288 20 0 HIADHM COc1ccc(C(=O)Nc2cccc(CN[C@H](c3ccccc3)[C@H](C)C(=O)[O-])c2)cc1 ZINC000426714223 856429557 /nfs/dbraw/zinc/42/95/57/856429557.db2.gz BYCXEKGWBAYDDI-SBUREZEXSA-N -1 3 418.493 4.499 20 0 HIADHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1ccc(Cl)cc1Br ZINC000426732968 856440791 /nfs/dbraw/zinc/44/07/91/856440791.db2.gz WBVPFSPNJITNQN-QGZVFWFLSA-N -1 3 423.738 4.098 20 0 HIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(Br)cc3c2OCC3)cc1 ZINC000426733720 856441972 /nfs/dbraw/zinc/44/19/72/856441972.db2.gz ZBSNJDBKDUXOCS-GOSISDBHSA-N -1 3 420.303 4.088 20 0 HIADHM O=C([O-])[C@@H](NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(Cl)c1 ZINC000426745302 856450030 /nfs/dbraw/zinc/45/00/30/856450030.db2.gz UBWNITLFWZITDQ-KRWDZBQOSA-N -1 3 409.795 4.460 20 0 HIADHM COc1cccc(CSC[C@@H](NCc2cccc(Cl)c2Cl)C(=O)[O-])c1 ZINC000426751145 856455241 /nfs/dbraw/zinc/45/52/41/856455241.db2.gz SYQPIDZSCRKQMR-MRXNPFEDSA-N -1 3 400.327 4.478 20 0 HIADHM COc1ccc(OCc2nc(CN[C@H]3CCCCCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000426755184 856458465 /nfs/dbraw/zinc/45/84/65/856458465.db2.gz XJYQJHXZULFERQ-OALUTQOASA-N -1 3 404.532 4.244 20 0 HIADHM CCOc1cc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc(Br)c1OC ZINC000426757230 856459911 /nfs/dbraw/zinc/45/99/11/856459911.db2.gz NXQWIJQMNLARKU-SFHVURJKSA-N -1 3 422.319 4.389 20 0 HIADHM O=C([O-])[C@H](NCc1csc(COc2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000426767884 856466557 /nfs/dbraw/zinc/46/65/57/856466557.db2.gz RNTJZXLQAHNJRD-RWENRRORSA-N -1 3 412.555 4.481 20 0 HIADHM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NCc1csc(-c2cccs2)n1 ZINC000426775686 856472295 /nfs/dbraw/zinc/47/22/95/856472295.db2.gz UFPRIDJIPIVYJQ-MRXNPFEDSA-N -1 3 401.488 4.278 20 0 HIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cnc(-c3ccc(C)cc3)s2)cc1OC ZINC000426780293 856474422 /nfs/dbraw/zinc/47/44/22/856474422.db2.gz QGRQDRVHVTVOLY-GOSISDBHSA-N -1 3 412.511 4.441 20 0 HIADHM O=C([O-])[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000426803012 856486488 /nfs/dbraw/zinc/48/64/88/856486488.db2.gz ZQHCGNSRBUCJHH-AWEZNQCLSA-N -1 3 404.182 4.263 20 0 HIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cnc(-c3ccsc3)s2)cc1OC ZINC000426802561 856486887 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Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000427183375 856697269 /nfs/dbraw/zinc/69/72/69/856697269.db2.gz VWEOAIHURQCGON-IRXDYDNUSA-N -1 3 416.518 4.197 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(cc(C)c(=O)n3C)c2)cc1C(C)C ZINC000427319237 856768629 /nfs/dbraw/zinc/76/86/29/856768629.db2.gz HFBTWKBXXZUCIJ-UHFFFAOYSA-N -1 3 414.527 4.088 20 0 HIADHM O=C([N-]c1cc(-c2ccc(Br)o2)no1)c1occc1Br ZINC000427677999 856906911 /nfs/dbraw/zinc/90/69/11/856906911.db2.gz JGMHVTUKDSHISE-UHFFFAOYSA-N -1 3 401.998 4.305 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000437539267 862873644 /nfs/dbraw/zinc/87/36/44/862873644.db2.gz SZTZIDLPVAIGSN-XHDPSFHLSA-N -1 3 413.674 4.303 20 0 HIADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2cccc(C3CCC3)c2)cc1 ZINC000428492591 857225441 /nfs/dbraw/zinc/22/54/41/857225441.db2.gz CRUPESGBGCLSDV-UHFFFAOYSA-N -1 3 402.516 4.122 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000428859273 857374846 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HIADHM CSCC[C@H](C)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430605633 858235048 /nfs/dbraw/zinc/23/50/48/858235048.db2.gz SZXAIROHDWHTAV-VIFPVBQESA-N -1 3 417.756 4.158 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C[C@@H](C)O)c2ccccc2)c1Cl ZINC000431289202 858548224 /nfs/dbraw/zinc/54/82/24/858548224.db2.gz WGVLUNGRYDMFCI-HIFRSBDPSA-N -1 3 402.343 4.135 20 0 HIADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000431741259 858779282 /nfs/dbraw/zinc/77/92/82/858779282.db2.gz QVCRODUDRBFJJD-ZDUSSCGKSA-N -1 3 418.432 4.232 20 0 HIADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cc(F)ccc3Br)cc21 ZINC000432078681 858974020 /nfs/dbraw/zinc/97/40/20/858974020.db2.gz QXUUYNTVOVJZEL-UHFFFAOYSA-N -1 3 418.671 4.171 20 0 HIADHM O=C1CCCc2cc(S(=O)(=O)[N-][C@H](c3cccc(F)c3F)C(F)(F)F)ccc21 ZINC000432210868 859048768 /nfs/dbraw/zinc/04/87/68/859048768.db2.gz RTNYGEGGLLVKDG-QGZVFWFLSA-N -1 3 419.371 4.066 20 0 HIADHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000432316788 859100132 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CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3[C@@H](C)C3(F)F)ccc2C)cc1 ZINC000460995776 873877926 /nfs/dbraw/zinc/87/79/26/873877926.db2.gz ZHCOEZQLDKHRMZ-FZKQIMNGSA-N -1 3 424.469 4.034 20 0 HIADHM CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc21 ZINC000468649623 882784795 /nfs/dbraw/zinc/78/47/95/882784795.db2.gz VEXUCVHVUVJVND-UHFFFAOYSA-N -1 3 414.477 4.264 20 0 HIADHM Cc1ccc(C(=O)N(C)C2CCC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000461412240 874428629 /nfs/dbraw/zinc/42/86/29/874428629.db2.gz ZXYFCUXCIQUUNX-UHFFFAOYSA-N -1 3 410.898 4.213 20 0 HIADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)cc1 ZINC000461435158 874486221 /nfs/dbraw/zinc/48/62/21/874486221.db2.gz VSOCRRQHVCOEPL-UHFFFAOYSA-N -1 3 405.516 4.286 20 0 HIADHM COc1cccc(Oc2ccc(CNC(=O)CCCc3ccc([O-])c(F)c3)cn2)c1 ZINC000468774743 882853870 /nfs/dbraw/zinc/85/38/70/882853870.db2.gz AZRSZABKSVATIC-UHFFFAOYSA-N -1 3 410.445 4.366 20 0 HIADHM Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)s3)c([O-])cc21 ZINC000461612056 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HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](Oc3ccc(Cl)cc3)C(C)C)cc2)n1 ZINC000463579337 876677224 /nfs/dbraw/zinc/67/72/24/876677224.db2.gz XUJXXEQBROANDO-HXUWFJFHSA-N -1 3 411.889 4.441 20 0 HIADHM COC(=O)COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)c2ccccc12 ZINC000469033342 883102537 /nfs/dbraw/zinc/10/25/37/883102537.db2.gz QZSZCJUHZIJHGM-UHFFFAOYSA-N -1 3 411.429 4.198 20 0 HIADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)s1 ZINC000464199928 877370590 /nfs/dbraw/zinc/37/05/90/877370590.db2.gz MZVPUKOVLZQLOP-CYBMUJFWSA-N -1 3 409.533 4.070 20 0 HIADHM CCCCc1nc(NC(=O)c2nc3ccccc3cc2Cl)c(C(=O)OCC)[n-]1 ZINC000464480322 877699733 /nfs/dbraw/zinc/69/97/33/877699733.db2.gz ZQCYBORCXNNUGH-UHFFFAOYSA-N -1 3 400.866 4.383 20 0 HIADHM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)[C@@H]1c1ccccc1 ZINC000464532125 877749342 /nfs/dbraw/zinc/74/93/42/877749342.db2.gz PQTGKIGFBBWENN-ZHRRBRCNSA-N -1 3 424.497 4.460 20 0 HIADHM O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cc(F)cc2n[n-]nc21 ZINC000503311437 912292825 /nfs/dbraw/zinc/29/28/25/912292825.db2.gz MXKBJXWTZDGVIM-AWEZNQCLSA-N -1 3 411.437 4.167 20 0 HIADHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN3CCC[C@H]3C)nc(=O)c12 ZINC000464840941 878108949 /nfs/dbraw/zinc/10/89/49/878108949.db2.gz WSZCHHCSMIXIJI-CQSZACIVSA-N -1 3 410.543 4.146 20 0 HIADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1 ZINC000464841655 878112629 /nfs/dbraw/zinc/11/26/29/878112629.db2.gz DPLOLHWLSHTRSG-UHFFFAOYSA-N -1 3 417.449 4.398 20 0 HIADHM Cc1c2c(sc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)CCCC2 ZINC000465110820 878486731 /nfs/dbraw/zinc/48/67/31/878486731.db2.gz LWPBJTVCNAOVBY-UHFFFAOYSA-N -1 3 422.572 4.103 20 0 HIADHM CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CCC1 ZINC000465133056 878514727 /nfs/dbraw/zinc/51/47/27/878514727.db2.gz HYPHXDFDRMALGD-QGZVFWFLSA-N -1 3 407.511 4.043 20 0 HIADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)O1 ZINC000465450290 878880928 /nfs/dbraw/zinc/88/09/28/878880928.db2.gz AAWUTKFPMVFUMP-HKUYNNGSSA-N -1 3 402.516 4.000 20 0 HIADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)c(=O)[n-]1 ZINC000466508765 880283491 /nfs/dbraw/zinc/28/34/91/880283491.db2.gz QDVZKWWIBBLLRS-KRWDZBQOSA-N -1 3 409.555 4.428 20 0 HIADHM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)[N-]c2cc(Cl)c(Cl)cc2F)o1 ZINC000466582569 880355803 /nfs/dbraw/zinc/35/58/03/880355803.db2.gz ZODUJTUSQOOSEY-UHFFFAOYSA-N -1 3 409.266 4.055 20 0 HIADHM CC(C)CO[C@H](C)c1noc(CSc2nnc([N-]c3ccccc3F)s2)n1 ZINC000466608934 880379115 /nfs/dbraw/zinc/37/91/15/880379115.db2.gz QGRPRNVHNHPXNJ-LLVKDONJSA-N -1 3 409.512 4.830 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(-n2cccn2)c1 ZINC000466893599 880660591 /nfs/dbraw/zinc/66/05/91/880660591.db2.gz ILBVGYUPZHOGRA-SNVBAGLBSA-N -1 3 402.328 4.280 20 0 HIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)[nH]c3c2)cc1Cl ZINC000467412334 881199297 /nfs/dbraw/zinc/19/92/97/881199297.db2.gz RQTDRYXDIFOZOJ-UHFFFAOYSA-N -1 3 420.922 4.273 20 0 HIADHM CCC1CCC(N(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C2CC2)CC1 ZINC000467431043 881227784 /nfs/dbraw/zinc/22/77/84/881227784.db2.gz VALYKDHJWTXQRT-UHFFFAOYSA-N -1 3 423.579 4.422 20 0 HIADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1)O[C@@H](C)C2 ZINC000469105896 883196475 /nfs/dbraw/zinc/19/64/75/883196475.db2.gz ZHCMOUCDAKKMKR-VHFSOBRXSA-N -1 3 413.489 4.248 20 0 HIADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000469213659 883312832 /nfs/dbraw/zinc/31/28/32/883312832.db2.gz GREJQWOUHGFJHF-INIZCTEOSA-N -1 3 421.472 4.379 20 0 HIADHM Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503622476 912720494 /nfs/dbraw/zinc/72/04/94/912720494.db2.gz OFFRWEUTICTNDE-UHFFFAOYSA-N -1 3 418.407 4.351 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000469419628 883596260 /nfs/dbraw/zinc/59/62/60/883596260.db2.gz GSQYHJJJBNVRML-IBGZPJMESA-N -1 3 411.395 4.473 20 0 HIADHM O=C(Nc1nc(-c2cc(Br)cs2)cs1)c1cc(F)cc2n[n-]nc21 ZINC000503634577 912737602 /nfs/dbraw/zinc/73/76/02/912737602.db2.gz RGVQWJSBMCJRIZ-UHFFFAOYSA-N -1 3 424.280 4.297 20 0 HIADHM O=C(NCc1cccc(F)c1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469509532 883762325 /nfs/dbraw/zinc/76/23/25/883762325.db2.gz ZRZHTFKBWRRDBB-UHFFFAOYSA-N -1 3 409.642 4.013 20 0 HIADHM CCCCCn1cc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c(C)n1 ZINC000503643122 912746516 /nfs/dbraw/zinc/74/65/16/912746516.db2.gz MVHZBCAYXVWWKH-UHFFFAOYSA-N -1 3 408.506 4.174 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000469625542 883839409 /nfs/dbraw/zinc/83/94/09/883839409.db2.gz OFLULHYNQCTJGV-OAHLLOKOSA-N -1 3 410.411 4.268 20 0 HIADHM COC(=O)c1ccc([C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C(F)(F)F)cc1 ZINC000469633883 883842795 /nfs/dbraw/zinc/84/27/95/883842795.db2.gz POLGBTGXGMBELF-SFHVURJKSA-N -1 3 413.367 4.060 20 0 HIADHM CC[C@@H](Cc1ccccc1Br)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000470738481 885198111 /nfs/dbraw/zinc/19/81/11/885198111.db2.gz UTVIPYWPAVMATH-AWEZNQCLSA-N -1 3 420.351 4.302 20 0 HIADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(Br)cc3Cl)CCC2)n1 ZINC000470788009 885264288 /nfs/dbraw/zinc/26/42/88/885264288.db2.gz CZCXQOWISNWOAI-UHFFFAOYSA-N -1 3 421.769 4.225 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCCC(CC)(CC)CC3)c2)n1 ZINC000471199049 885768819 /nfs/dbraw/zinc/76/88/19/885768819.db2.gz MQILRUSYPNMMBT-UHFFFAOYSA-N -1 3 424.545 4.169 20 0 HIADHM CCO[C@@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)C(C)C ZINC000471203931 885773732 /nfs/dbraw/zinc/77/37/32/885773732.db2.gz NJGYTRQTHZTVSF-FQEVSTJZSA-N -1 3 418.559 4.494 20 0 HIADHM O=C(NCc1ncccc1[O-])Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000471276242 885857030 /nfs/dbraw/zinc/85/70/30/885857030.db2.gz HOHMSYUIGARTHL-OAQYLSRUSA-N -1 3 416.481 4.086 20 0 HIADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3cccc4cccnc43)n2)cc1 ZINC000471876915 886657406 /nfs/dbraw/zinc/65/74/06/886657406.db2.gz ZQKXFERQGQKFMR-OAHLLOKOSA-N -1 3 422.510 4.028 20 0 HIADHM Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc([O-])c3ccccc3c2)c1C ZINC000472028065 886850071 /nfs/dbraw/zinc/85/00/71/886850071.db2.gz CAYRGDRHRSCWQI-FQEVSTJZSA-N -1 3 406.507 4.316 20 0 HIADHM Cc1sc([C@@H](C)NC(=O)NCc2ncccc2[O-])nc1-c1ccc(Cl)cc1 ZINC000472043974 886860278 /nfs/dbraw/zinc/86/02/78/886860278.db2.gz KVSVLDKHLOQPNP-LLVKDONJSA-N -1 3 402.907 4.433 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000504213500 913090095 /nfs/dbraw/zinc/09/00/95/913090095.db2.gz UCYDOWSJXKEPMU-QGZVFWFLSA-N -1 3 400.475 4.064 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3C[C@@H]3c3cc(OC)ccc3OC)c2)n1 ZINC000472125161 886914548 /nfs/dbraw/zinc/91/45/48/886914548.db2.gz ZSEWRSLBWPNOQQ-QUCCMNQESA-N -1 3 419.481 4.171 20 0 HIADHM O=C(COc1ccccc1NC(=O)c1cc([O-])c2ccccc2c1)Nc1cccnc1 ZINC000472508460 887375869 /nfs/dbraw/zinc/37/58/69/887375869.db2.gz YVDWTYVWPYWICX-UHFFFAOYSA-N -1 3 413.433 4.210 20 0 HIADHM CC(=O)CC(C)(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000472652810 887514590 /nfs/dbraw/zinc/51/45/90/887514590.db2.gz VDHILYZJCWCFPG-UHFFFAOYSA-N -1 3 402.516 4.130 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCN(c4ccccc4)[C@@H]3C)c2)n1 ZINC000473488983 888209785 /nfs/dbraw/zinc/20/97/85/888209785.db2.gz OUPDTRGTUPTGLX-IERDGZPVSA-N -1 3 402.498 4.265 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2nc(C(F)(F)F)cs2)sc1Cl ZINC000473856211 888707695 /nfs/dbraw/zinc/70/76/95/888707695.db2.gz CXOMROTZMUCCJY-UHFFFAOYSA-N -1 3 404.888 4.399 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]Cc2nccn2CCCc2ccccc2)sc1Cl ZINC000473953418 888826124 /nfs/dbraw/zinc/82/61/24/888826124.db2.gz TZIXECJWZFSVTO-UHFFFAOYSA-N -1 3 409.964 4.018 20 0 HIADHM O=C([O-])CCc1cccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000473956314 888828517 /nfs/dbraw/zinc/82/85/17/888828517.db2.gz CJYBWOWAVZUJDW-OAQYLSRUSA-N -1 3 420.431 4.097 20 0 HIADHM COc1ccc(NC(=O)[C@@H]2C[C@@H]2C(C)C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000475284493 890183512 /nfs/dbraw/zinc/18/35/12/890183512.db2.gz YACJHKLPIKJRBS-HUUCEWRRSA-N -1 3 422.934 4.380 20 0 HIADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000475544731 890468708 /nfs/dbraw/zinc/46/87/08/890468708.db2.gz WJFUALLJDPEZGF-JOCHJYFZSA-N -1 3 416.525 4.053 20 0 HIADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(OCc3ccccn3)c2)cc1F ZINC000475742238 890684366 /nfs/dbraw/zinc/68/43/66/890684366.db2.gz NIURLTWMJJFPQW-HNNXBMFYSA-N -1 3 418.465 4.287 20 0 HIADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000475830574 890763475 /nfs/dbraw/zinc/76/34/75/890763475.db2.gz KHBLKMNXICTKCH-ZDUSSCGKSA-N -1 3 406.451 4.140 20 0 HIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000476133595 891055568 /nfs/dbraw/zinc/05/55/68/891055568.db2.gz CYCSBBNJVKHWHC-NSHDSACASA-N -1 3 422.432 4.271 20 0 HIADHM CCn1c(SCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nnc1-c1ccco1 ZINC000476146463 891069916 /nfs/dbraw/zinc/06/99/16/891069916.db2.gz JDYQXYXGHBSQGS-UHFFFAOYSA-N -1 3 412.393 4.013 20 0 HIADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc1 ZINC000476409501 891323597 /nfs/dbraw/zinc/32/35/97/891323597.db2.gz UGAGMUIICHNNIY-UHFFFAOYSA-N -1 3 416.474 4.389 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C)c(O)c3)c2)cc1 ZINC000476438894 891350712 /nfs/dbraw/zinc/35/07/12/891350712.db2.gz VYAWLTQXCRYMEB-UHFFFAOYSA-N -1 3 410.495 4.371 20 0 HIADHM CC(C)c1cccnc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000504865391 913594729 /nfs/dbraw/zinc/59/47/29/913594729.db2.gz WXKBBIPHLPFPIW-UHFFFAOYSA-N -1 3 413.474 4.397 20 0 HIADHM O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476984297 891910219 /nfs/dbraw/zinc/91/02/19/891910219.db2.gz MEKRODBXIVIYII-UHFFFAOYSA-N -1 3 421.400 4.008 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@H](C)CC(C)(C)C)c2)cc1 ZINC000477023343 891950521 /nfs/dbraw/zinc/95/05/21/891950521.db2.gz WJLVKUMIBCGLHU-MRXNPFEDSA-N -1 3 418.559 4.185 20 0 HIADHM CCc1cc(=O)[n-]c(CSCc2nc(-c3cc(Br)cs3)no2)n1 ZINC000477356111 892320189 /nfs/dbraw/zinc/32/01/89/892320189.db2.gz RWGRGGCQMGKVRM-UHFFFAOYSA-N -1 3 413.322 4.052 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCC34CCC4)ccc2C)c(C)c1 ZINC000477383157 892343328 /nfs/dbraw/zinc/34/33/28/892343328.db2.gz IPXQQXJUEBMJRI-UHFFFAOYSA-N -1 3 412.555 4.490 20 0 HIADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000477387927 892346730 /nfs/dbraw/zinc/34/67/30/892346730.db2.gz MXVDXRYSAQCOIT-UHFFFAOYSA-N -1 3 408.889 4.134 20 0 HIADHM O=c1ccnc(C(=Cc2cc3c(cc2Br)OCO3)Cc2ccccc2)[n-]1 ZINC000477422097 892375274 /nfs/dbraw/zinc/37/52/74/892375274.db2.gz VRLNRYHHMFYREN-OQLLNIDSSA-N -1 3 411.255 4.044 20 0 HIADHM Cn1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000477490963 892490412 /nfs/dbraw/zinc/49/04/12/892490412.db2.gz ISYSBDUKXHBRLD-UHFFFAOYSA-N -1 3 424.309 4.385 20 0 HIADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000504965369 913702404 /nfs/dbraw/zinc/70/24/04/913702404.db2.gz LTWNSSUZESEEMG-UHFFFAOYSA-N -1 3 414.465 4.274 20 0 HIADHM Cc1ccc(S(=O)(=O)c2ccc(CN3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)cc2)cc1 ZINC000477814665 892884181 /nfs/dbraw/zinc/88/41/81/892884181.db2.gz AHEFCDSWPIDKMA-COPCDDAFSA-N -1 3 413.539 4.046 20 0 HIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2csc(CCc3ccccc3)n2)c1F ZINC000478069503 893230122 /nfs/dbraw/zinc/23/01/22/893230122.db2.gz UMZGYJIPOXHXMG-UHFFFAOYSA-N -1 3 402.422 4.245 20 0 HIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2csc(Cc3ccccc3F)n2)c1F ZINC000478074941 893236742 /nfs/dbraw/zinc/23/67/42/893236742.db2.gz IIACYUMFPIDQOO-UHFFFAOYSA-N -1 3 406.385 4.190 20 0 HIADHM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)[C@H]1CCC(C)(C)C1 ZINC000478201758 893363560 /nfs/dbraw/zinc/36/35/60/893363560.db2.gz TWUQBQGFJFXRTM-INIZCTEOSA-N -1 3 404.507 4.277 20 0 HIADHM CCSc1ccc([C@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000505120612 913827640 /nfs/dbraw/zinc/82/76/40/913827640.db2.gz PSWZCVNIEWMTDH-HNNXBMFYSA-N -1 3 422.554 4.062 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)cc(Br)cc3Cl)nc21 ZINC000479086166 894352219 /nfs/dbraw/zinc/35/22/19/894352219.db2.gz PBICSSJOGURDPA-UHFFFAOYSA-N -1 3 422.666 4.326 20 0 HIADHM O=C1Nc2ccc(S(=O)(=O)[N-][C@H](c3ccc(F)cc3)C(F)(F)F)c3cccc1c23 ZINC000479130128 894397931 /nfs/dbraw/zinc/39/79/31/894397931.db2.gz KJLHIXYRQORKQX-QGZVFWFLSA-N -1 3 424.375 4.127 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCCC[C@@H](C)C1 ZINC000479235382 894498679 /nfs/dbraw/zinc/49/86/79/894498679.db2.gz CVOHNAZMODHMKA-OAHLLOKOSA-N -1 3 404.507 4.197 20 0 HIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc1 ZINC000479237044 894500830 /nfs/dbraw/zinc/50/08/30/894500830.db2.gz BJUJLALRCGLSHO-MSOLQXFVSA-N -1 3 402.560 4.394 20 0 HIADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000479437060 894752981 /nfs/dbraw/zinc/75/29/81/894752981.db2.gz JRVQRHLRTKWTBT-UHFFFAOYSA-N -1 3 418.849 4.481 20 0 HIADHM Cc1ccc(-c2nc(NC(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)n[n-]2)o1 ZINC000479469598 894791508 /nfs/dbraw/zinc/79/15/08/894791508.db2.gz HXCNXACIVMGNDL-UHFFFAOYSA-N -1 3 403.229 4.118 20 0 HIADHM CCc1ccc([C@@H]2CN(C(=O)NCc3ccc([O-])c(Br)c3)CCO2)cc1 ZINC000479677893 894959807 /nfs/dbraw/zinc/95/98/07/894959807.db2.gz ZOVUNJUHCYVZCT-IBGZPJMESA-N -1 3 419.319 4.000 20 0 HIADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000480104345 895472540 /nfs/dbraw/zinc/47/25/40/895472540.db2.gz POTLVPCKCMDNFY-VXKWHMMOSA-N -1 3 411.465 4.188 20 0 HIADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000480104345 895472552 /nfs/dbraw/zinc/47/25/52/895472552.db2.gz POTLVPCKCMDNFY-VXKWHMMOSA-N -1 3 411.465 4.188 20 0 HIADHM CC[C@H](C)N[C@H](CNC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)c1ccco1 ZINC000480125736 895500822 /nfs/dbraw/zinc/50/08/22/895500822.db2.gz QDKJLDOGLHECEQ-SWLSCSKDSA-N -1 3 419.938 4.124 20 0 HIADHM CC[C@@H](C)N[C@H](CNC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)c1ccco1 ZINC000480125735 895501210 /nfs/dbraw/zinc/50/12/10/895501210.db2.gz QDKJLDOGLHECEQ-IUODEOHRSA-N -1 3 419.938 4.124 20 0 HIADHM O=S(=O)([N-]c1ccc(-n2cccn2)c(Cl)c1)c1ccc(CC(F)(F)F)cc1 ZINC000480234097 895641168 /nfs/dbraw/zinc/64/11/68/895641168.db2.gz VUFJKAYXEUMHNN-UHFFFAOYSA-N -1 3 415.824 4.431 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ccc(Br)cn3)nc2)n1 ZINC000480829344 896203645 /nfs/dbraw/zinc/20/36/45/896203645.db2.gz PZJXJVDSJCSSMX-NSHDSACASA-N -1 3 400.280 4.137 20 0 HIADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C2CC2)s1 ZINC000480966520 896306364 /nfs/dbraw/zinc/30/63/64/896306364.db2.gz VLODJDCWENAAIQ-HNNXBMFYSA-N -1 3 411.599 4.375 20 0 HIADHM C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1=O ZINC000505410500 914076059 /nfs/dbraw/zinc/07/60/59/914076059.db2.gz VLGIZAKDYPCMMD-VFNWGFHPSA-N -1 3 406.457 4.167 20 0 HIADHM Cc1cc([C@H]2CN(C(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)CCO2)ccc1F ZINC000481194251 896548738 /nfs/dbraw/zinc/54/87/38/896548738.db2.gz AKFLXCNIVWPXBD-OAQYLSRUSA-N -1 3 422.460 4.211 20 0 HIADHM COc1ccccc1OC[C@H](C)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000481200300 896552833 /nfs/dbraw/zinc/55/28/33/896552833.db2.gz OFMLJUBGCUJIDR-OAHLLOKOSA-N -1 3 422.485 4.003 20 0 HIADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cccc(Cl)c1Cl ZINC000481213665 896567233 /nfs/dbraw/zinc/56/72/33/896567233.db2.gz ZSAYCQJDCJYRPC-GOEBONIOSA-N -1 3 408.310 4.014 20 0 HIADHM CCC(CC)N(CC(C)C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000481224466 896577124 /nfs/dbraw/zinc/57/71/24/896577124.db2.gz DJTXNQIHQUGECO-UHFFFAOYSA-N -1 3 409.527 4.241 20 0 HIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1ccc(Br)cn1 ZINC000481246324 896598908 /nfs/dbraw/zinc/59/89/08/896598908.db2.gz OBZBJCQLHBBDMQ-JTQLQIEISA-N -1 3 413.268 4.077 20 0 HIADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1Cl ZINC000481883180 897255275 /nfs/dbraw/zinc/25/52/75/897255275.db2.gz OLJBOUKCUXNJLL-UHFFFAOYSA-N -1 3 406.857 4.307 20 0 HIADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1Cl ZINC000481885292 897258785 /nfs/dbraw/zinc/25/87/85/897258785.db2.gz ZNRMBXBWRSUJPR-UHFFFAOYSA-N -1 3 410.820 4.360 20 0 HIADHM COc1ccc([C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C2CC2)cc1 ZINC000481926971 897310487 /nfs/dbraw/zinc/31/04/87/897310487.db2.gz QDKSASKDIANAJR-GOSISDBHSA-N -1 3 405.292 4.114 20 0 HIADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1occc1COc1ccccc1 ZINC000482168760 897635267 /nfs/dbraw/zinc/63/52/67/897635267.db2.gz IGUHEUBBSGBDHB-UHFFFAOYSA-N -1 3 408.845 4.404 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000482288910 897783582 /nfs/dbraw/zinc/78/35/82/897783582.db2.gz UPAXJDVGWNSWCA-VQIMIIECSA-N -1 3 419.319 4.122 20 0 HIADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccc(OC(F)F)c1 ZINC000482296643 897793529 /nfs/dbraw/zinc/79/35/29/897793529.db2.gz OFQAEADEGKFYLL-JTQLQIEISA-N -1 3 415.234 4.317 20 0 HIADHM Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482571145 898167133 /nfs/dbraw/zinc/16/71/33/898167133.db2.gz AWFUITPRJSPZAN-HKUYNNGSSA-N -1 3 419.319 4.183 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000482853420 898463667 /nfs/dbraw/zinc/46/36/67/898463667.db2.gz CQRUHVAAWIIRBM-ZDUSSCGKSA-N -1 3 415.828 4.127 20 0 HIADHM CC(C)[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000483209144 898860591 /nfs/dbraw/zinc/86/05/91/898860591.db2.gz YRAAQIRSFASYGX-GFCCVEGCSA-N -1 3 409.334 4.039 20 0 HIADHM O=c1[n-]c(CN[C@@H](CO)c2c(Cl)cccc2Cl)nc2c3ccccc3oc21 ZINC000483227969 898872221 /nfs/dbraw/zinc/87/22/21/898872221.db2.gz IZULZYIRVMQYFB-ZDUSSCGKSA-N -1 3 404.253 4.212 20 0 HIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000483288826 898924966 /nfs/dbraw/zinc/92/49/66/898924966.db2.gz JZRPZQMNXFCPTJ-UHFFFAOYSA-N -1 3 422.916 4.334 20 0 HIADHM C[C@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cncc(F)c1 ZINC000484373430 899915652 /nfs/dbraw/zinc/91/56/52/899915652.db2.gz QHUIXYYDPAUYRN-AWEZNQCLSA-N -1 3 403.454 4.011 20 0 HIADHM CCSc1cccc(F)c1[N-]C(=O)c1cncc(I)c1 ZINC000484921635 900296025 /nfs/dbraw/zinc/29/60/25/900296025.db2.gz AWEURDKAWOFZTF-UHFFFAOYSA-N -1 3 402.232 4.190 20 0 HIADHM CCCN(CC)C(=O)c1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485094932 900406346 /nfs/dbraw/zinc/40/63/46/900406346.db2.gz RCOGIUHFUKLGLZ-UHFFFAOYSA-N -1 3 417.469 4.342 20 0 HIADHM COc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(OC(F)F)c1 ZINC000485109917 900416188 /nfs/dbraw/zinc/41/61/88/900416188.db2.gz XAUXKBDGTFQWRM-UHFFFAOYSA-N -1 3 400.341 4.080 20 0 HIADHM COc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(OC(F)F)c1 ZINC000485109917 900416193 /nfs/dbraw/zinc/41/61/93/900416193.db2.gz XAUXKBDGTFQWRM-UHFFFAOYSA-N -1 3 400.341 4.080 20 0 HIADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485121394 900426649 /nfs/dbraw/zinc/42/66/49/900426649.db2.gz IZQMASINLPFMTK-ZDUSSCGKSA-N -1 3 415.457 4.494 20 0 HIADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000485400067 900697850 /nfs/dbraw/zinc/69/78/50/900697850.db2.gz QYKWSBFUGGNDEI-UHFFFAOYSA-N -1 3 415.368 4.312 20 0 HIADHM Cn1c2ccc(Cl)cc2nc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000485446130 900741700 /nfs/dbraw/zinc/74/17/00/900741700.db2.gz SKELWSIECIOMNI-UHFFFAOYSA-N -1 3 403.813 4.187 20 0 HIADHM CCCCc1nc(NC(=O)c2cc(C)sc2Br)c(C(=O)OCC)[n-]1 ZINC000485693841 900943804 /nfs/dbraw/zinc/94/38/04/900943804.db2.gz KLVPPJKUDJCDCZ-UHFFFAOYSA-N -1 3 414.325 4.314 20 0 HIADHM CCCCc1nc(NC(=O)c2cc(C)ccc2Br)c(C(=O)OCC)[n-]1 ZINC000485712927 900961919 /nfs/dbraw/zinc/96/19/19/900961919.db2.gz UDNVJZGOIYVIJN-UHFFFAOYSA-N -1 3 408.296 4.252 20 0 HIADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3ncsc3c2)sc1Br ZINC000485926547 901152629 /nfs/dbraw/zinc/15/26/29/901152629.db2.gz RFSHXAONMNLZJJ-SECBINFHSA-N -1 3 417.375 4.468 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H]2C[C@@H](C)c3c2cccc3C)cc1OC ZINC000486054051 901251623 /nfs/dbraw/zinc/25/16/23/901251623.db2.gz PMULZADOYNEIRQ-CVEARBPZSA-N -1 3 416.543 4.385 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(OCc2ccccc2)CC1 ZINC000486428166 901586741 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COC(=O)c1cc(C)nc2nc(SC[C@H](OC(C)C)c3ccccc3)[n-]c(=O)c12 ZINC000488245863 902719854 /nfs/dbraw/zinc/71/98/54/902719854.db2.gz HIUBRNBPDUIHQJ-INIZCTEOSA-N -1 3 413.499 4.084 20 0 HIADHM Cc1ccc(NC(=O)C2(CNC(=O)c3c[n-]c4ccccc4c3=O)CCCC2)cc1C ZINC000488285325 902748000 /nfs/dbraw/zinc/74/80/00/902748000.db2.gz WWPXZIUSWLIRCP-UHFFFAOYSA-N -1 3 417.509 4.074 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000488664535 902927843 /nfs/dbraw/zinc/92/78/43/902927843.db2.gz JFNKZPACJFXCCC-UHFFFAOYSA-N -1 3 406.667 4.128 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCCC(F)(F)C3)c2)cc1 ZINC000488944697 903093321 /nfs/dbraw/zinc/09/33/21/903093321.db2.gz NARRZOJUSIBOME-QGZVFWFLSA-N -1 3 422.497 4.412 20 0 HIADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1c(F)cccc1F ZINC000489003757 903115452 /nfs/dbraw/zinc/11/54/52/903115452.db2.gz URHWCTNACLCFTJ-ZETCQYMHSA-N -1 3 412.202 4.045 20 0 HIADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000489138620 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[O-]c1cc2c(cc1-c1nc(Cc3c[nH]c4ccc(Br)cc34)no1)OCO2 ZINC000436927627 862107901 /nfs/dbraw/zinc/10/79/01/862107901.db2.gz PWKIOAMSYBXTLB-UHFFFAOYSA-N -1 3 414.215 4.006 20 0 HIADHM Cc1cc(CN(C)C(=O)c2cc(=O)c3ccccc3[n-]2)cc(C)c1OCC(F)(F)F ZINC000056122239 850248389 /nfs/dbraw/zinc/24/83/89/850248389.db2.gz JGQJLGSEEVVEGL-UHFFFAOYSA-N -1 3 418.415 4.358 20 0 HIADHM Cc1csc(NC2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)n1 ZINC000436934051 862112226 /nfs/dbraw/zinc/11/22/26/862112226.db2.gz RNIMGZZWJKRXPZ-UHFFFAOYSA-N -1 3 407.539 4.465 20 0 HIADHM C[C@@H](SCc1nc(C2CC2)no1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000056229971 850292551 /nfs/dbraw/zinc/29/25/51/850292551.db2.gz AVNSMOUPNFJAOG-SECBINFHSA-N -1 3 400.485 4.499 20 0 HIADHM Cc1c(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)nnn1-c1cccc(C)c1 ZINC000056249407 850297467 /nfs/dbraw/zinc/29/74/67/850297467.db2.gz JIYQYEZZBOWGMD-UHFFFAOYSA-N -1 3 410.890 4.308 20 0 HIADHM CN1CCCN(c2ccc(-c3noc(-c4cc(F)ccc4[O-])n3)cc2Cl)CC1 ZINC000436939419 862117225 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850554103 /nfs/dbraw/zinc/55/41/03/850554103.db2.gz YZIJKVGUZAHZFG-UHFFFAOYSA-N -1 3 412.442 4.250 20 0 HIADHM Cc1ccc([C@@H]2CCCN2C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000436964113 862143174 /nfs/dbraw/zinc/14/31/74/862143174.db2.gz LQUMWBORIFOHGO-KRWDZBQOSA-N -1 3 411.483 4.288 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1 ZINC000436966851 862146301 /nfs/dbraw/zinc/14/63/01/862146301.db2.gz RAJVVISWENLTHT-YJBOKZPZSA-N -1 3 419.481 4.034 20 0 HIADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3ccc(Cl)s3)n2)c1 ZINC000057383885 850622919 /nfs/dbraw/zinc/62/29/19/850622919.db2.gz YGFQHAHJIQVUGJ-UHFFFAOYSA-N -1 3 416.908 4.320 20 0 HIADHM CCc1cccc(C)c1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000058022908 850751836 /nfs/dbraw/zinc/75/18/36/850751836.db2.gz NDMWPHINGPMZGQ-UHFFFAOYSA-N -1 3 419.510 4.123 20 0 HIADHM C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000058164210 850775915 /nfs/dbraw/zinc/77/59/15/850775915.db2.gz 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O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCc1cccc(F)c1F ZINC000058786390 850926277 /nfs/dbraw/zinc/92/62/77/850926277.db2.gz KCOGHXSPIHBJEK-HXUWFJFHSA-N -1 3 411.404 4.275 20 0 HIADHM O=C([N-]c1n[nH]c(-c2cccc3ccccc32)n1)c1cn(-c2ccccc2Cl)nn1 ZINC000059008814 850978909 /nfs/dbraw/zinc/97/89/09/850978909.db2.gz FIODHBBSGHWLDI-UHFFFAOYSA-N -1 3 415.844 4.111 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000060336836 851066832 /nfs/dbraw/zinc/06/68/32/851066832.db2.gz UHGCZZIUJWYPFA-HNNXBMFYSA-N -1 3 423.694 4.051 20 0 HIADHM COC(=O)c1cc(C)nc2nc(SCCOc3cccc4ccccc43)[n-]c(=O)c12 ZINC000060823621 851222665 /nfs/dbraw/zinc/22/26/65/851222665.db2.gz DNXJECZXNIESAV-UHFFFAOYSA-N -1 3 421.478 4.150 20 0 HIADHM Cc1cc(C)cc(Oc2ccc(CNC(=O)CCc3c(C)nc(C)[n-]c3=O)cc2C)c1 ZINC000062928239 851605836 /nfs/dbraw/zinc/60/58/36/851605836.db2.gz GAEBXZZKCQGNAE-UHFFFAOYSA-N -1 3 419.525 4.353 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCCc2ccc(C)cc2)cc1OC ZINC000063648703 851733989 /nfs/dbraw/zinc/73/39/89/851733989.db2.gz UOXKDRQMICTLOX-UHFFFAOYSA-N -1 3 404.532 4.117 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)n1 ZINC000064343039 851875440 /nfs/dbraw/zinc/87/54/40/851875440.db2.gz KIMLBVHKGHPUME-UHFFFAOYSA-N -1 3 404.253 4.070 20 0 HIADHM O=C([N-]NC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccc(F)cc1Br ZINC000064835612 852000981 /nfs/dbraw/zinc/00/09/81/852000981.db2.gz DFNLUMHXSVECEC-UHFFFAOYSA-N -1 3 423.257 4.000 20 0 HIADHM CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000064853477 852006611 /nfs/dbraw/zinc/00/66/11/852006611.db2.gz NJIAVWKBVDNXRC-UHFFFAOYSA-N -1 3 403.251 4.092 20 0 HIADHM CC(=O)Nc1cccc(OC(=O)c2n[n-]c(-c3ccccc3)c2Br)c1 ZINC000065105627 852064735 /nfs/dbraw/zinc/06/47/35/852064735.db2.gz LPLWXIRZTFKXQD-UHFFFAOYSA-N -1 3 400.232 4.017 20 0 HIADHM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccc(F)cc1 ZINC000065160440 852081536 /nfs/dbraw/zinc/08/15/36/852081536.db2.gz KSKQNGOKESNNPX-UHFFFAOYSA-N -1 3 402.422 4.042 20 0 HIADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000065801091 852259554 /nfs/dbraw/zinc/25/95/54/852259554.db2.gz PIGFFIDNXIPZLE-QGZVFWFLSA-N -1 3 411.870 4.196 20 0 HIADHM CCCCC1CCC(NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1 ZINC000065827574 852272449 /nfs/dbraw/zinc/27/24/49/852272449.db2.gz XEFKUESLYQYZJW-UHFFFAOYSA-N -1 3 411.568 4.327 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C)s3)ccc2C)cc1 ZINC000068769068 852371203 /nfs/dbraw/zinc/37/12/03/852371203.db2.gz SZSZNJPJRYGRNC-UHFFFAOYSA-N -1 3 416.524 4.427 20 0 HIADHM CC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000068852211 852373393 /nfs/dbraw/zinc/37/33/93/852373393.db2.gz HWDIRKCNHSICGO-SFHVURJKSA-N -1 3 416.543 4.209 20 0 HIADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCCC1)c1c(Cl)cccc1Cl ZINC000069081641 852383573 /nfs/dbraw/zinc/38/35/73/852383573.db2.gz LXQRSDBLHWAQAP-HNNXBMFYSA-N -1 3 403.331 4.092 20 0 HIADHM CCn1cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)c(C(F)(F)F)n1 ZINC000437160156 862352974 /nfs/dbraw/zinc/35/29/74/862352974.db2.gz PDSRARVCCDSWRM-UHFFFAOYSA-N -1 3 419.791 4.485 20 0 HIADHM O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc(Br)cc1[O-] ZINC000071956654 852445323 /nfs/dbraw/zinc/44/53/23/852445323.db2.gz PTCUJLKVVJUOAQ-UHFFFAOYSA-N -1 3 413.271 4.067 20 0 HIADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc(Cl)cc1 ZINC000078515239 852517869 /nfs/dbraw/zinc/51/78/69/852517869.db2.gz ALIIGNIZSFUFAG-UHFFFAOYSA-N -1 3 420.840 4.302 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1 ZINC000108239657 852831127 /nfs/dbraw/zinc/83/11/27/852831127.db2.gz RTKYFDLFLSINKB-UHFFFAOYSA-N -1 3 415.902 4.405 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000109761414 853010776 /nfs/dbraw/zinc/01/07/76/853010776.db2.gz HYMALRHRPVMOPC-NRFANRHFSA-N -1 3 422.504 4.116 20 0 HIADHM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000111211404 853223510 /nfs/dbraw/zinc/22/35/10/853223510.db2.gz BRORHDUXMKUKMQ-AWEZNQCLSA-N -1 3 422.934 4.169 20 0 HIADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000115646967 853256908 /nfs/dbraw/zinc/25/69/08/853256908.db2.gz ZGCUSPXSAKBRHE-QWRGUYRKSA-N -1 3 422.268 4.399 20 0 HIADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000115646967 853256916 /nfs/dbraw/zinc/25/69/16/853256916.db2.gz ZGCUSPXSAKBRHE-QWRGUYRKSA-N -1 3 422.268 4.399 20 0 HIADHM Cc1cc(OCc2ccc(C(=O)N[N-]C(=O)c3ccccc3F)cc2)ccc1Cl ZINC000138353649 853384306 /nfs/dbraw/zinc/38/43/06/853384306.db2.gz NBJNTYYNSMKKJP-UHFFFAOYSA-N -1 3 412.848 4.441 20 0 HIADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000437253523 862478463 /nfs/dbraw/zinc/47/84/63/862478463.db2.gz IIUHHMBMWXMCNR-UHFFFAOYSA-N -1 3 400.373 4.066 20 0 HIADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000437253523 862478478 /nfs/dbraw/zinc/47/84/78/862478478.db2.gz IIUHHMBMWXMCNR-UHFFFAOYSA-N -1 3 400.373 4.066 20 0 HIADHM Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc([O-])c(Br)c1 ZINC000229902995 853893549 /nfs/dbraw/zinc/89/35/49/853893549.db2.gz RYXWRRWNKIYWGS-KPKJPENVSA-N -1 3 403.301 4.487 20 0 HIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccccc1I ZINC000261370536 854237156 /nfs/dbraw/zinc/23/71/56/854237156.db2.gz YTXYXIMQNYOSME-UHFFFAOYSA-N -1 3 418.028 4.012 20 0 HIADHM COc1cc(CCC2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)cc(OC)c1 ZINC000261370492 854237690 /nfs/dbraw/zinc/23/76/90/854237690.db2.gz RDDRJGHXLXQYCO-UHFFFAOYSA-N -1 3 420.509 4.443 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000437290219 862546579 /nfs/dbraw/zinc/54/65/79/862546579.db2.gz GUCUJRPXRWGRSJ-VHSXEESVSA-N -1 3 420.316 4.466 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3cccc(N4CCCC4=O)c3)nc2)n1 ZINC000301184466 854322868 /nfs/dbraw/zinc/32/28/68/854322868.db2.gz SPDPFAMFXCQFMA-HNNXBMFYSA-N -1 3 403.486 4.107 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCc4cccc(Br)c4C3)nc2)n1 ZINC000301281633 854346669 /nfs/dbraw/zinc/34/66/69/854346669.db2.gz KRYBNWXDGLSRPL-UHFFFAOYSA-N -1 3 411.303 4.132 20 0 HIADHM CCCCN(CC)C(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000301383583 854377649 /nfs/dbraw/zinc/37/76/49/854377649.db2.gz CXEDHEHQWLBXCD-UHFFFAOYSA-N -1 3 409.379 4.190 20 0 HIADHM Cc1nc(-c2ccc(NCc3cc(N(C)C)nc4ccccc34)nc2)[n-]c(=O)c1C ZINC000301466067 854401618 /nfs/dbraw/zinc/40/16/18/854401618.db2.gz XKXQEZCKNFRYBK-UHFFFAOYSA-N -1 3 400.486 4.087 20 0 HIADHM O=c1[n-]cnc2c1CN(c1nc(-c3ccsc3)nc3sc4c(c31)CCCC4)CC2 ZINC000301786358 854465536 /nfs/dbraw/zinc/46/55/36/854465536.db2.gz LWZZTTQANNEHAK-UHFFFAOYSA-N -1 3 421.551 4.357 20 0 HIADHM Cc1nc(-c2ccc(N(C)Cc3ccc(F)cc3Br)nc2)[n-]c(=O)c1C ZINC000302709919 854610584 /nfs/dbraw/zinc/61/05/84/854610584.db2.gz KKAGDQOPHYKMCT-UHFFFAOYSA-N -1 3 417.282 4.399 20 0 HIADHM Cc1cn2cc([N-]S(=O)(=O)c3ccc(OCC(F)F)c4ccccc43)ccc2n1 ZINC000437319166 862586589 /nfs/dbraw/zinc/58/65/89/862586589.db2.gz BPOANKOWZPEFJI-UHFFFAOYSA-N -1 3 417.437 4.241 20 0 HIADHM O=S(=O)([N-][C@H]1CCCc2cc(OC(F)F)ccc21)c1cc(F)ccc1Cl ZINC000303197498 854813048 /nfs/dbraw/zinc/81/30/48/854813048.db2.gz NLOLZWPZFHUPEG-HNNXBMFYSA-N -1 3 405.825 4.436 20 0 HIADHM Cc1cccc(-c2ccc(CNC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2)c1 ZINC000303768859 855186775 /nfs/dbraw/zinc/18/67/75/855186775.db2.gz GRKGNTIEWGNGNM-HSZRJFAPSA-N -1 3 414.505 4.289 20 0 HIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000303781513 855195048 /nfs/dbraw/zinc/19/50/48/855195048.db2.gz IOWJNYRURDCSOX-UHFFFAOYSA-N -1 3 417.234 4.411 20 0 HIADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Br)sc1Br ZINC000303793831 855201104 /nfs/dbraw/zinc/20/11/04/855201104.db2.gz KHVFIAIWANASCV-UHFFFAOYSA-N -1 3 409.074 4.048 20 0 HIADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3c(F)cccc3N3CCCC3)cc(Cl)c2O1 ZINC000303860230 855256110 /nfs/dbraw/zinc/25/61/10/855256110.db2.gz WJDNZAVUZPPLFU-GFCCVEGCSA-N -1 3 410.898 4.204 20 0 HIADHM CCC[C@]1(C)CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000437373326 862675939 /nfs/dbraw/zinc/67/59/39/862675939.db2.gz LPUZHUFVJDWZQQ-GOSISDBHSA-N -1 3 421.390 4.091 20 0 HIADHM CCc1onc(C)c1C(=O)[N-]c1nnc(-c2cc(Br)ccc2F)s1 ZINC000410016285 855781521 /nfs/dbraw/zinc/78/15/21/855781521.db2.gz SFOWVUDIRIECER-UHFFFAOYSA-N -1 3 411.256 4.218 20 0 HIADHM O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1cnn[n-]1 ZINC000410047710 855798585 /nfs/dbraw/zinc/79/85/85/855798585.db2.gz RJXRREDRLFJLEZ-UHFFFAOYSA-N -1 3 421.326 4.142 20 0 HIADHM O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1c[n-]nn1 ZINC000410047710 855798594 /nfs/dbraw/zinc/79/85/94/855798594.db2.gz RJXRREDRLFJLEZ-UHFFFAOYSA-N -1 3 421.326 4.142 20 0 HIADHM O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1cn[n-]n1 ZINC000410047710 855798601 /nfs/dbraw/zinc/79/86/01/855798601.db2.gz RJXRREDRLFJLEZ-UHFFFAOYSA-N -1 3 421.326 4.142 20 0 HIADHM COc1ccc([C@H]2C[C@H](NC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)C2)cc1F ZINC000410053140 855802265 /nfs/dbraw/zinc/80/22/65/855802265.db2.gz RNVQQVMJLQQHTL-SAABIXHNSA-N -1 3 422.460 4.373 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c1 ZINC000410111143 855825057 /nfs/dbraw/zinc/82/50/57/855825057.db2.gz XXNWQORQDOVHPT-UHFFFAOYSA-N -1 3 424.394 4.470 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000426527740 856335507 /nfs/dbraw/zinc/33/55/07/856335507.db2.gz ZBNVQROCNYUGFO-VIFPVBQESA-N -1 3 410.287 4.181 20 0 HIADHM CCOc1c(Br)cc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1OC ZINC000426671387 856404980 /nfs/dbraw/zinc/40/49/80/856404980.db2.gz MAHCVBAIVPWJJI-KRWDZBQOSA-N -1 3 408.292 4.080 20 0 HIADHM O=C([O-])[C@@H](CNCc1csc(COc2ccccc2)n1)Cc1ccc(Cl)cc1 ZINC000426703093 856421520 /nfs/dbraw/zinc/42/15/20/856421520.db2.gz DZZISRRWEIBBJE-MRXNPFEDSA-N -1 3 416.930 4.409 20 0 HIADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000426719985 856433257 /nfs/dbraw/zinc/43/32/57/856433257.db2.gz KDMKZCQDJQXSRM-SFHVURJKSA-N -1 3 405.878 4.206 20 0 HIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(Br)ccc2OC)cc1 ZINC000426721401 856434477 /nfs/dbraw/zinc/43/44/77/856434477.db2.gz BJOJSXXNRQJDNN-QGZVFWFLSA-N -1 3 408.292 4.162 20 0 HIADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1OCc1cccnc1 ZINC000426725823 856436787 /nfs/dbraw/zinc/43/67/87/856436787.db2.gz FGQAMJVFNDQCNH-NRFANRHFSA-N -1 3 412.873 4.238 20 0 HIADHM O=C([O-])[C@H](CSCCc1ccccc1)NCc1ccc(-c2ccncc2)cc1F ZINC000426733579 856442191 /nfs/dbraw/zinc/44/21/91/856442191.db2.gz YRWGBAOODFQFCR-QFIPXVFZSA-N -1 3 410.514 4.406 20 0 HIADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1cc(F)ccc1Br ZINC000426736884 856444498 /nfs/dbraw/zinc/44/44/98/856444498.db2.gz KXIZIXBYPNMCIS-QGZVFWFLSA-N -1 3 412.324 4.107 20 0 HIADHM O=C([O-])[C@H](CSCCc1ccccc1)NCc1cc(F)ccc1Br ZINC000426736883 856444563 /nfs/dbraw/zinc/44/45/63/856444563.db2.gz KXIZIXBYPNMCIS-KRWDZBQOSA-N -1 3 412.324 4.107 20 0 HIADHM O=C([O-])CC[C@@H](Cc1ccccc1)NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000426738892 856445259 /nfs/dbraw/zinc/44/52/59/856445259.db2.gz ZPRWPAXXEALMLX-HNNXBMFYSA-N -1 3 419.312 4.140 20 0 HIADHM O=C([O-])[C@H]1CCCCCC[C@H]1NCc1ncc(Br)cc1Br ZINC000426739939 856445308 /nfs/dbraw/zinc/44/53/08/856445308.db2.gz FPLPUGLPIKYARI-WCQYABFASA-N -1 3 420.145 4.120 20 0 HIADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1OCc1cccnc1 ZINC000426741476 856446823 /nfs/dbraw/zinc/44/68/23/856446823.db2.gz FUUUMHCTBFSLRW-HSZRJFAPSA-N -1 3 406.482 4.202 20 0 HIADHM COc1cccc(CSC[C@@H](NCc2ccc(C)cc2Br)C(=O)[O-])c1 ZINC000426754476 856457432 /nfs/dbraw/zinc/45/74/32/856457432.db2.gz QNQNIXLQXURNBD-GOSISDBHSA-N -1 3 424.360 4.242 20 0 HIADHM CCOc1c(Br)cc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1OC ZINC000426754614 856457657 /nfs/dbraw/zinc/45/76/57/856457657.db2.gz RSLXYNPDYPEXQP-GOSISDBHSA-N -1 3 422.319 4.389 20 0 HIADHM Cc1ccc(CN[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])c(Br)c1 ZINC000426757506 856460080 /nfs/dbraw/zinc/46/00/80/856460080.db2.gz PICZXGASBVOKRF-MRXNPFEDSA-N -1 3 400.675 4.336 20 0 HIADHM O=C([O-])[C@@H](Cc1cccc(Br)c1)NCc1csc(-c2cccs2)n1 ZINC000426764552 856464778 /nfs/dbraw/zinc/46/47/78/856464778.db2.gz XHTWMKGGOSVUPF-CQSZACIVSA-N -1 3 423.357 4.420 20 0 HIADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)ccc1OCc1ccc(F)cc1 ZINC000426765125 856465388 /nfs/dbraw/zinc/46/53/88/856465388.db2.gz KGBULLDVPYNMPO-JOCHJYFZSA-N -1 3 411.429 4.034 20 0 HIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(Br)cc2SC)c1 ZINC000426767873 856466595 /nfs/dbraw/zinc/46/65/95/856466595.db2.gz RKZSQEPNIXRQFM-MRXNPFEDSA-N -1 3 410.333 4.485 20 0 HIADHM O=C([O-])[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccc(Br)cc1 ZINC000426798539 856484744 /nfs/dbraw/zinc/48/47/44/856484744.db2.gz JFXVVAQBVUZKBB-AWEZNQCLSA-N -1 3 404.182 4.105 20 0 HIADHM CCc1ccc([C@H](NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)[O-])cc1 ZINC000426805396 856489325 /nfs/dbraw/zinc/48/93/25/856489325.db2.gz BDDYWMYXALUQRL-FQEVSTJZSA-N -1 3 417.431 4.428 20 0 HIADHM COc1cc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc(Br)c1O ZINC000426818796 856496500 /nfs/dbraw/zinc/49/65/00/856496500.db2.gz GMZYJVAZIVPHHO-AWEZNQCLSA-N -1 3 414.683 4.122 20 0 HIADHM O=C([O-])[C@H](NCc1ccc(Br)s1)c1ccc(Br)cc1 ZINC000426825403 856499748 /nfs/dbraw/zinc/49/97/48/856499748.db2.gz QMFCUWCTSCOJOO-GFCCVEGCSA-N -1 3 405.111 4.189 20 0 HIADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc(Cl)c1OC ZINC000426827917 856502197 /nfs/dbraw/zinc/50/21/97/856502197.db2.gz XOZDUEMCFQYVRU-HNNXBMFYSA-N -1 3 414.683 4.035 20 0 HIADHM O=C([O-])[C@@H](NCc1cc(Br)cs1)c1ccc(Br)cc1 ZINC000426827289 856502214 /nfs/dbraw/zinc/50/22/14/856502214.db2.gz VVXMGRDINXGHIR-LBPRGKRZSA-N -1 3 405.111 4.189 20 0 HIADHM COc1nnc(NC(=O)CC(=Cc2cccc(OC)c2)c2nc3ccccc3s2)[n-]1 ZINC000426934423 856549864 /nfs/dbraw/zinc/54/98/64/856549864.db2.gz PXFYHPWJNHRPSD-UVTDQMKNSA-N -1 3 421.482 4.001 20 0 HIADHM COc1nc(NC(=O)CC(=Cc2cccc(OC)c2)c2nc3ccccc3s2)n[n-]1 ZINC000426934423 856549873 /nfs/dbraw/zinc/54/98/73/856549873.db2.gz PXFYHPWJNHRPSD-UVTDQMKNSA-N -1 3 421.482 4.001 20 0 HIADHM COc1n[n-]c(NC(=O)CC(=Cc2cccc(OC)c2)c2nc3ccccc3s2)n1 ZINC000426934423 856549882 /nfs/dbraw/zinc/54/98/82/856549882.db2.gz PXFYHPWJNHRPSD-UVTDQMKNSA-N -1 3 421.482 4.001 20 0 HIADHM O=C(CCCOc1ccc2c(c1)NC(=O)CC2)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000427051839 856611845 /nfs/dbraw/zinc/61/18/45/856611845.db2.gz DCNAOMMCRNBGAC-UHFFFAOYSA-N -1 3 408.376 4.093 20 0 HIADHM O=C(CCSc1ccnc2cc(Cl)ccc21)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427070003 856620211 /nfs/dbraw/zinc/62/02/11/856620211.db2.gz PZFJYZIEERBKOQ-UHFFFAOYSA-N -1 3 424.917 4.113 20 0 HIADHM O=C(CCSc1ccnc2cc(Cl)ccc21)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427070003 856620215 /nfs/dbraw/zinc/62/02/15/856620215.db2.gz PZFJYZIEERBKOQ-UHFFFAOYSA-N -1 3 424.917 4.113 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1-c1ccccc1)c1nc(Cc2ccccc2)no1 ZINC000427258589 856740517 /nfs/dbraw/zinc/74/05/17/856740517.db2.gz CQNQBCHJQLHUFZ-QGZVFWFLSA-N -1 3 419.506 4.367 20 0 HIADHM CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000427377534 856800720 /nfs/dbraw/zinc/80/07/20/856800720.db2.gz ZIKGLSBBRBIKNG-VMPITWQZSA-N -1 3 424.404 4.755 20 0 HIADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1 ZINC000427654337 856897853 /nfs/dbraw/zinc/89/78/53/856897853.db2.gz BNVJERJNVOWPOW-UHFFFAOYSA-N -1 3 412.511 4.273 20 0 HIADHM COCCCn1c(=O)[n-]nc1SCc1cccc2c(Br)cccc12 ZINC000428075329 857063938 /nfs/dbraw/zinc/06/39/38/857063938.db2.gz PWJKUCXVVOASDT-UHFFFAOYSA-N -1 3 408.321 4.228 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC000428529976 857244154 /nfs/dbraw/zinc/24/41/54/857244154.db2.gz VXLQOVOEEMAKML-QFIPXVFZSA-N -1 3 416.525 4.000 20 0 HIADHM Cc1ccc(-c2nsc([N-]C(=O)c3cnc(OCc4ccccc4)cn3)n2)s1 ZINC000428735993 857313738 /nfs/dbraw/zinc/31/37/38/857313738.db2.gz RLEGZJPSWBJSMV-UHFFFAOYSA-N -1 3 409.496 4.196 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccccc1C(=O)c1cccs1 ZINC000428864681 857377322 /nfs/dbraw/zinc/37/73/22/857377322.db2.gz UYWLGOPJWIQHCH-UHFFFAOYSA-N -1 3 416.296 4.377 20 0 HIADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C[C@H]1C ZINC000430564835 858220649 /nfs/dbraw/zinc/22/06/49/858220649.db2.gz CSYHTJZGEOFSSL-FOGDFJRCSA-N -1 3 411.727 4.499 20 0 HIADHM CC(C)CSCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430581683 858226107 /nfs/dbraw/zinc/22/61/07/858226107.db2.gz HLJDZRRYCFOFKZ-UHFFFAOYSA-N -1 3 417.756 4.063 20 0 HIADHM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430617185 858236913 /nfs/dbraw/zinc/23/69/13/858236913.db2.gz KQOHQRCMOAVWDC-VWYCJHECSA-N -1 3 411.727 4.451 20 0 HIADHM CC(C)[C@H]1CCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430643731 858245593 /nfs/dbraw/zinc/24/55/93/858245593.db2.gz SCFAWRINBADDFM-NSHDSACASA-N -1 3 411.727 4.452 20 0 HIADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@H](C)C1 ZINC000430659079 858253448 /nfs/dbraw/zinc/25/34/48/858253448.db2.gz KUYFTXGIECSVSC-FCHSOHFDSA-N -1 3 411.727 4.499 20 0 HIADHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000431073634 858435416 /nfs/dbraw/zinc/43/54/16/858435416.db2.gz ZHFABEZLWRRRPJ-SECBINFHSA-N -1 3 417.375 4.030 20 0 HIADHM CCCn1c(CO)nnc1S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000431230930 858518891 /nfs/dbraw/zinc/51/88/91/858518891.db2.gz KEPWXTHAWLUODX-JTQLQIEISA-N -1 3 417.516 4.004 20 0 HIADHM O=C1N[C@@H](c2ccc3ccccc3c2)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431851964 858839726 /nfs/dbraw/zinc/83/97/26/858839726.db2.gz SRYDCVBYKPITSM-SFHVURJKSA-N -1 3 411.255 4.101 20 0 HIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2Br)c1 ZINC000432073693 858970102 /nfs/dbraw/zinc/97/01/02/858970102.db2.gz DANBDMKXDOHNQP-UHFFFAOYSA-N -1 3 402.697 4.414 20 0 HIADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cccc21 ZINC000432471076 859180125 /nfs/dbraw/zinc/18/01/25/859180125.db2.gz LBOJEDJMLLXMJO-INIZCTEOSA-N -1 3 401.315 4.179 20 0 HIADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cccc21 ZINC000432473672 859181251 /nfs/dbraw/zinc/18/12/51/859181251.db2.gz AIVYDZRDRQIOSH-INIZCTEOSA-N -1 3 401.315 4.179 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSc3nc4ccccc4[nH]3)c2)n1 ZINC000432482627 859186890 /nfs/dbraw/zinc/18/68/90/859186890.db2.gz HNYIWJBPHCIWOF-UHFFFAOYSA-N -1 3 405.483 4.019 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1C(C)C ZINC000432763308 859343012 /nfs/dbraw/zinc/34/30/12/859343012.db2.gz OLAGEVIPDDKCFW-SFHVURJKSA-N -1 3 405.516 4.096 20 0 HIADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C3CCCCC3)c2)cc1 ZINC000432770378 859350202 /nfs/dbraw/zinc/35/02/02/859350202.db2.gz WMQVTMBXNNRJNC-HHHXNRCGSA-N -1 3 420.600 4.135 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnc(C)n3C)c2)cc1C(C)C ZINC000432776428 859354512 /nfs/dbraw/zinc/35/45/12/859354512.db2.gz NYZJDLYWBRRMKI-UHFFFAOYSA-N -1 3 414.531 4.032 20 0 HIADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000432781927 859357375 /nfs/dbraw/zinc/35/73/75/859357375.db2.gz UNCULORFQYBULD-UHFFFAOYSA-N -1 3 421.559 4.481 20 0 HIADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cccc(C(C)C)c3)c2)[n-]1 ZINC000432916795 859429185 /nfs/dbraw/zinc/42/91/85/859429185.db2.gz JUNOXCUKRYVKKE-UHFFFAOYSA-N -1 3 407.474 4.094 20 0 HIADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cccc(C(C)C)c3)c2)n[n-]1 ZINC000432916795 859429190 /nfs/dbraw/zinc/42/91/90/859429190.db2.gz JUNOXCUKRYVKKE-UHFFFAOYSA-N -1 3 407.474 4.094 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ncc(C)cc2Br)cc1C(C)C ZINC000432954861 859446428 /nfs/dbraw/zinc/44/64/28/859446428.db2.gz KCDBXWODVZOMMB-UHFFFAOYSA-N -1 3 413.337 4.394 20 0 HIADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000433152779 859542478 /nfs/dbraw/zinc/54/24/78/859542478.db2.gz SRQACDSHIZMHJM-UHFFFAOYSA-N -1 3 421.719 4.417 20 0 HIADHM O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1cc(F)cc2n[n-]nc21 ZINC000433364236 859660571 /nfs/dbraw/zinc/66/05/71/859660571.db2.gz UFZNZFJKQLGWSJ-UHFFFAOYSA-N -1 3 406.855 4.005 20 0 HIADHM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000434009772 860037450 /nfs/dbraw/zinc/03/74/50/860037450.db2.gz CFBKKSYVAROMBB-SECBINFHSA-N -1 3 404.253 4.028 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NC2CCC3(CC3)CC2)CC1 ZINC000434337923 860298757 /nfs/dbraw/zinc/29/87/57/860298757.db2.gz ZKFWCNOXDRSGJM-UHFFFAOYSA-N -1 3 405.926 4.129 20 0 HIADHM Cc1cc(Br)ccc1CN(C)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000434345632 860303233 /nfs/dbraw/zinc/30/32/33/860303233.db2.gz BNCUNCBXXNZRAR-UHFFFAOYSA-N -1 3 406.324 4.131 20 0 HIADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)c(C)o1 ZINC000434356797 860307668 /nfs/dbraw/zinc/30/76/68/860307668.db2.gz YMSAGIAPRZPAMJ-MRXNPFEDSA-N -1 3 412.939 4.057 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2c[nH]c3cc(F)ccc32)CC1 ZINC000434491927 860370554 /nfs/dbraw/zinc/37/05/54/860370554.db2.gz DYJXPVTUZCLSHX-UHFFFAOYSA-N -1 3 415.852 4.157 20 0 HIADHM CCc1cc(=O)[n-]c(CN(CC(=O)Nc2ccccc2C(F)(F)F)[C@H](C)CC)n1 ZINC000434527036 860387449 /nfs/dbraw/zinc/38/74/49/860387449.db2.gz UFFAPAFBBBGLET-CYBMUJFWSA-N -1 3 410.440 4.003 20 0 HIADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1Br ZINC000434947595 860569609 /nfs/dbraw/zinc/56/96/09/860569609.db2.gz PQGWDMVGKNSWJM-UHFFFAOYSA-N -1 3 412.202 4.086 20 0 HIADHM CSc1c(F)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000435688513 860969804 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407.283 4.429 20 0 HIADHM CS(=O)(=O)c1cccc([C@@H](NCc2cc([O-])cc(F)c2)c2ccc(Cl)cc2)c1 ZINC000472054580 886866513 /nfs/dbraw/zinc/86/65/13/886866513.db2.gz RYGFQCMGDUJAHL-NRFANRHFSA-N -1 3 419.905 4.467 20 0 HIADHM Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1S(=O)(=O)NC(C)(C)C ZINC000472206404 887006694 /nfs/dbraw/zinc/00/66/94/887006694.db2.gz JZCSIDBQQCLAKD-UHFFFAOYSA-N -1 3 412.511 4.183 20 0 HIADHM CSc1cccc(C)c1[N-]C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000472246370 887056260 /nfs/dbraw/zinc/05/62/60/887056260.db2.gz HCDWNWHJVBVWNR-UHFFFAOYSA-N -1 3 424.613 4.451 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCCC2(CCC2)C1 ZINC000473323107 888064820 /nfs/dbraw/zinc/06/48/20/888064820.db2.gz RAYYRDOLTGMHQS-UHFFFAOYSA-N -1 3 416.518 4.341 20 0 HIADHM O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000473598457 888342665 /nfs/dbraw/zinc/34/26/65/888342665.db2.gz KFDBQMMISLDKAR-UHFFFAOYSA-N -1 3 422.384 4.444 20 0 HIADHM O=C(NCc1ncccc1[O-])c1cc(Br)ccc1OCc1ccccc1 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CC[C@@H](CC(F)(F)F)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000546202577 940728306 /nfs/dbraw/zinc/72/83/06/940728306.db2.gz GKDZGFJTCDWEBO-ZDUSSCGKSA-N -1 3 421.847 4.137 20 0 HIADHM Cc1ccccc1[C@@H](C)c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000546541509 940847505 /nfs/dbraw/zinc/84/75/05/940847505.db2.gz DECPMKAZZYVCJN-KGLIPLIRSA-N -1 3 405.907 4.223 20 0 HIADHM CCCN(CCc1cccs1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000546655002 940865665 /nfs/dbraw/zinc/86/56/65/940865665.db2.gz DYVGGAHOGZDRDM-UHFFFAOYSA-N -1 3 419.344 4.447 20 0 HIADHM CN(C)C(=O)c1ccc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)cc1 ZINC000547038219 940970177 /nfs/dbraw/zinc/97/01/77/940970177.db2.gz VEXBXBAYLLBAFV-UHFFFAOYSA-N -1 3 415.449 4.390 20 0 HIADHM CCOc1cc(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)cc(Cl)c1[O-] ZINC000547289487 941052972 /nfs/dbraw/zinc/05/29/72/941052972.db2.gz QAGALQVUAXEJGH-LJQANCHMSA-N -1 3 418.921 4.020 20 0 HIADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)c(F)cc2N1 ZINC000547638251 941069853 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941848914 /nfs/dbraw/zinc/84/89/14/941848914.db2.gz VQRZUQNXWQFDQT-HOTGVXAUSA-N -1 3 409.404 4.494 20 0 HIADHM CCc1c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cnn1-c1cccc(C)c1 ZINC000553504293 941898042 /nfs/dbraw/zinc/89/80/42/941898042.db2.gz RKNNOMZYWVFUQD-UHFFFAOYSA-N -1 3 404.445 4.284 20 0 HIADHM CC[C@@H]1CCN1C(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000553973654 942010759 /nfs/dbraw/zinc/01/07/59/942010759.db2.gz AYDXBRUORSIMFX-LJQANCHMSA-N -1 3 400.544 4.346 20 0 HIADHM O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc([O-])ccc1Cl ZINC000554976818 942340662 /nfs/dbraw/zinc/34/06/62/942340662.db2.gz VLROFDBKCWHPII-LBPRGKRZSA-N -1 3 409.711 4.064 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCOc2ccc(Br)cc2C1 ZINC000555204324 942430808 /nfs/dbraw/zinc/43/08/08/942430808.db2.gz XQVDLVMSXLFIFM-UHFFFAOYSA-N -1 3 408.267 4.038 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc(-n4cccn4)c(F)c3)nc2)n1 ZINC000555206796 942431657 /nfs/dbraw/zinc/43/16/57/942431657.db2.gz UFGAMCGXEGIYPO-CQSZACIVSA-N -1 3 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COc1cnc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c(Br)c1 ZINC000566585723 946047255 /nfs/dbraw/zinc/04/72/55/946047255.db2.gz WAKMXVZIYIPHDK-UHFFFAOYSA-N -1 3 419.300 4.321 20 0 HIADHM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1ccc(OCC(F)F)cc1 ZINC000566640754 946060691 /nfs/dbraw/zinc/06/06/91/946060691.db2.gz LXHVSSBXGHIOAF-UHFFFAOYSA-N -1 3 406.410 4.319 20 0 HIADHM CCCc1c(C(=O)[N-]c2nnc(C3CC3)s2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC000566769905 946097404 /nfs/dbraw/zinc/09/74/04/946097404.db2.gz ZSAOTYDCENMPHX-UHFFFAOYSA-N -1 3 410.547 4.499 20 0 HIADHM Cc1cccc([C@H]2CCCN2C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)n1 ZINC000568833760 946722260 /nfs/dbraw/zinc/72/22/60/946722260.db2.gz PTNVTMYWAUKIBF-MRXNPFEDSA-N -1 3 417.387 4.107 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000571234629 947557166 /nfs/dbraw/zinc/55/71/66/947557166.db2.gz XHFDRNZEUUBGHF-UHFFFAOYSA-N -1 3 415.536 4.078 20 0 HIADHM CC(C)c1scnc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000571273841 947578274 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20 0 HIADHM CCOc1cc(/C=C/C(=O)c2ccc(OCC#N)cc2)cc(Br)c1[O-] ZINC000041106802 848201669 /nfs/dbraw/zinc/20/16/69/848201669.db2.gz MZVBWGMSEIUUAN-FPYGCLRLSA-N -1 3 402.244 4.352 20 0 HIADHM CC[C@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)c1cccs1 ZINC000436633464 861876548 /nfs/dbraw/zinc/87/65/48/861876548.db2.gz BODMIGMOUKKKKY-HNNXBMFYSA-N -1 3 415.540 4.281 20 0 HIADHM CCOc1cc(/C=C\C(=O)c2ccc(OCC#N)cc2)cc(Br)c1[O-] ZINC000041106801 848201816 /nfs/dbraw/zinc/20/18/16/848201816.db2.gz MZVBWGMSEIUUAN-BAQGIRSFSA-N -1 3 402.244 4.352 20 0 HIADHM O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1c([O-])cccc1O ZINC000436650083 861882305 /nfs/dbraw/zinc/88/23/05/861882305.db2.gz UTUKGUCFJOXMGK-UHFFFAOYSA-N -1 3 404.344 4.234 20 0 HIADHM CC[C@@H](C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1)N(C)C ZINC000436661918 861886935 /nfs/dbraw/zinc/88/69/35/861886935.db2.gz XOGMQESVLRMPKR-INIZCTEOSA-N -1 3 410.301 4.230 20 0 HIADHM CN(Cc1c(F)cccc1F)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436664051 861887587 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COc1cc(-c2nc([C@H](C)c3ccc(Br)cc3)no2)cc(OC)c1[O-] ZINC000436687213 861894312 /nfs/dbraw/zinc/89/43/12/861894312.db2.gz HTPSGANAAHTZHP-SNVBAGLBSA-N -1 3 405.248 4.374 20 0 HIADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000436695086 861895924 /nfs/dbraw/zinc/89/59/24/861895924.db2.gz JSTJYKIDONJIJU-UHFFFAOYSA-N -1 3 413.930 4.127 20 0 HIADHM CC(C)c1ccc(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000436698935 861897126 /nfs/dbraw/zinc/89/71/26/861897126.db2.gz PRHOHRMDPOXQRB-QGZVFWFLSA-N -1 3 409.530 4.263 20 0 HIADHM Cc1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)sc1-c1ccc(F)cc1 ZINC000436714310 861902293 /nfs/dbraw/zinc/90/22/93/861902293.db2.gz HUDYFPGAOFWYLI-UHFFFAOYSA-N -1 3 424.497 4.166 20 0 HIADHM O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)N[N-]C(=O)c1ccccc1F ZINC000043725877 848453857 /nfs/dbraw/zinc/45/38/57/848453857.db2.gz OXLAOBGCFNOKPH-KIHDROPUSA-N -1 3 415.468 4.067 20 0 HIADHM COc1ccc(NC(=S)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000044232684 848535234 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412.493 4.397 20 0 HIADHM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436749613 861932506 /nfs/dbraw/zinc/93/25/06/861932506.db2.gz ZJHGJZRJNDXXQJ-GOSISDBHSA-N -1 3 412.493 4.397 20 0 HIADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CC[C@@H]1c1ccccc1 ZINC000045788077 848728938 /nfs/dbraw/zinc/72/89/38/848728938.db2.gz QLLUOHXNKLZTRI-OAQYLSRUSA-N -1 3 410.470 4.214 20 0 HIADHM CC[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1cccc(Cl)c1 ZINC000046042462 848778875 /nfs/dbraw/zinc/77/88/75/848778875.db2.gz XGRBOAPTCYXWMX-OAHLLOKOSA-N -1 3 410.699 4.198 20 0 HIADHM O=C(OCc1csc(C2CCCCC2)n1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332591 848824059 /nfs/dbraw/zinc/82/40/59/848824059.db2.gz MVHURCKSWQPQAE-GOSISDBHSA-N -1 3 414.527 4.244 20 0 HIADHM CCc1nc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cs1 ZINC000046451945 848851241 /nfs/dbraw/zinc/85/12/41/848851241.db2.gz SJRALRXXLYYNGG-IBGZPJMESA-N -1 3 410.495 4.016 20 0 HIADHM COc1ccc(-c2csc3ncnc([N-]N=C4C(=O)Nc5ccccc54)c23)cc1 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VEBRHYXKKFOVJG-MRXNPFEDSA-N -1 3 423.948 4.343 20 0 HIADHM CSc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000303445166 854944509 /nfs/dbraw/zinc/94/45/09/854944509.db2.gz IPSCZEKARCZWOA-UHFFFAOYSA-N -1 3 402.497 4.363 20 0 HIADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(Cl)c1Cl ZINC000303729628 855155991 /nfs/dbraw/zinc/15/59/91/855155991.db2.gz UVKJVVYZHVWUFQ-BLLLJJGKSA-N -1 3 407.297 4.181 20 0 HIADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1c(F)cccc1F ZINC000390198718 855453758 /nfs/dbraw/zinc/45/37/58/855453758.db2.gz IVYRPBIHFNYYKC-QMMMGPOBSA-N -1 3 410.667 4.420 20 0 HIADHM Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[N-]c3nnc(C(F)F)s3)c12 ZINC000409460466 855490481 /nfs/dbraw/zinc/49/04/81/855490481.db2.gz FZRNDPSVZCBSDK-UHFFFAOYSA-N -1 3 405.361 4.379 20 0 HIADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000409615395 855566040 /nfs/dbraw/zinc/56/60/40/855566040.db2.gz ZQRRIZDXUDISGL-UHFFFAOYSA-N -1 3 410.528 4.051 20 0 HIADHM O=C([N-]c1nnc(-c2cc(Br)ccc2F)s1)c1ccc(Cl)s1 ZINC000410029762 855786215 /nfs/dbraw/zinc/78/62/15/855786215.db2.gz LUPCBAFMFXAZDN-UHFFFAOYSA-N -1 3 418.700 5.074 20 0 HIADHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC000410416078 855984679 /nfs/dbraw/zinc/98/46/79/855984679.db2.gz GHJJPXUXCZJFQM-UHFFFAOYSA-N -1 3 403.262 4.060 20 0 HIADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)cc2C[C@@H]1C ZINC000410423996 855991200 /nfs/dbraw/zinc/99/12/00/855991200.db2.gz QLNFOKZVANRWCS-VIFPVBQESA-N -1 3 417.289 4.231 20 0 HIADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1)N1CCOCC1 ZINC000437399920 862747394 /nfs/dbraw/zinc/74/73/94/862747394.db2.gz FPLRMBPPUZZWDZ-KRWDZBQOSA-N -1 3 402.560 4.178 20 0 HIADHM COc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)ccc1OCc1c(C)noc1C ZINC000426692161 856415572 /nfs/dbraw/zinc/41/55/72/856415572.db2.gz PDTCUHJIZDTLTR-GOSISDBHSA-N -1 3 416.499 4.246 20 0 HIADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1ccc(F)cc1Br ZINC000426725180 856437282 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COc1cc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1OCc1c(C)noc1C ZINC000426761316 856463453 /nfs/dbraw/zinc/46/34/53/856463453.db2.gz ZOGUIPNGUNQOCW-HSZRJFAPSA-N -1 3 424.497 4.411 20 0 HIADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Br)cc2C)cc1OC ZINC000426789737 856479317 /nfs/dbraw/zinc/47/93/17/856479317.db2.gz XJJBZEMZCMHYGG-INIZCTEOSA-N -1 3 408.292 4.080 20 0 HIADHM O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)NCc1csc(-c2ccsc2)n1 ZINC000426816635 856494021 /nfs/dbraw/zinc/49/40/21/856494021.db2.gz QDEHHYNVEBGRJM-HNNXBMFYSA-N -1 3 410.467 4.259 20 0 HIADHM O=C([O-])C[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1cccc(Cl)c1 ZINC000426817879 856494909 /nfs/dbraw/zinc/49/49/09/856494909.db2.gz CTUDBYWUBYCOQQ-CQSZACIVSA-N -1 3 412.667 4.137 20 0 HIADHM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NCc1csc(-c2ccsc2)n1 ZINC000426820708 856497136 /nfs/dbraw/zinc/49/71/36/856497136.db2.gz MRUTVVAFYJWHDF-QGZVFWFLSA-N -1 3 401.488 4.278 20 0 HIADHM O=C([O-])C[C@H](NCc1cnc(-c2ccccn2)s1)c1cccc(Br)c1 ZINC000426823697 856498342 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O=S(=O)([N-]CCCc1cccc(C(F)(F)F)c1)c1cnccc1C(F)(F)F ZINC000442750006 867663635 /nfs/dbraw/zinc/66/36/35/867663635.db2.gz GDTLPPWVEWOISY-UHFFFAOYSA-N -1 3 412.355 4.030 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000442755492 867665542 /nfs/dbraw/zinc/66/55/42/867665542.db2.gz CEKQBNSGVRAXSF-UHFFFAOYSA-N -1 3 404.179 4.055 20 0 HIADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c1 ZINC000442836682 867693843 /nfs/dbraw/zinc/69/38/43/867693843.db2.gz OMDUUWPIHFDNCG-UHFFFAOYSA-N -1 3 413.243 4.385 20 0 HIADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1nc(C(C)C)c(C)s1 ZINC000443075966 867810995 /nfs/dbraw/zinc/81/09/95/867810995.db2.gz XGTBBPVJIBGOPS-UHFFFAOYSA-N -1 3 424.569 4.055 20 0 HIADHM COCc1nc(C(=O)[N-]c2n[nH]c(-c3ccccc3OC)n2)c(-c2ccccc2)s1 ZINC000443320249 867903102 /nfs/dbraw/zinc/90/31/02/867903102.db2.gz YZLYGNYJDPFJME-UHFFFAOYSA-N -1 3 421.482 4.003 20 0 HIADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)C1 ZINC000443348343 867919022 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COc1ccccc1C1(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCC1 ZINC000544701637 940504529 /nfs/dbraw/zinc/50/45/29/940504529.db2.gz PNUDLPQJFCMPFC-UHFFFAOYSA-N -1 3 418.497 4.410 20 0 HIADHM CC(C)(C)c1nnc([N-]C(=O)c2ncc(Br)cc2Br)s1 ZINC000544713195 940505950 /nfs/dbraw/zinc/50/59/50/940505950.db2.gz HCGRHYFUNUXLPE-UHFFFAOYSA-N -1 3 420.130 4.008 20 0 HIADHM CCc1nnc(C)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000545355571 940564508 /nfs/dbraw/zinc/56/45/08/940564508.db2.gz WCLXYGMTWSUPSE-UHFFFAOYSA-N -1 3 424.526 4.017 20 0 HIADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnc(-c2cccc(Br)c2)s1 ZINC000545362743 940565428 /nfs/dbraw/zinc/56/54/28/940565428.db2.gz XXZIUNFWPDXFNG-UHFFFAOYSA-N -1 3 405.277 4.394 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cccc4ccncc43)cs2)c1 ZINC000545458140 940570832 /nfs/dbraw/zinc/57/08/32/940570832.db2.gz UEAAEPXUQVCNTH-UHFFFAOYSA-N -1 3 418.478 4.139 20 0 HIADHM C[C@@H](c1cccs1)c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000545747637 940583587 /nfs/dbraw/zinc/58/35/87/940583587.db2.gz OBYHAPAPUKRJIW-NSHDSACASA-N -1 3 409.508 4.166 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NCC3(c4ccncc4)CCCC3)cc2)cc(=O)[n-]1 ZINC000546054403 940684191 /nfs/dbraw/zinc/68/41/91/940684191.db2.gz JBOYZQYOEVNNPM-UHFFFAOYSA-N -1 3 403.486 4.186 20 0 HIADHM Cc1cccc(C)c1[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000546213044 940731173 /nfs/dbraw/zinc/73/11/73/940731173.db2.gz OCXCISRHUVWFKN-OAHLLOKOSA-N -1 3 415.490 4.062 20 0 HIADHM COc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1OC(C)C ZINC000546926967 940915438 /nfs/dbraw/zinc/91/54/38/940915438.db2.gz QVWYEBKWENKZCY-UHFFFAOYSA-N -1 3 409.280 4.272 20 0 HIADHM CCOc1cc(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)cc(Cl)c1[O-] ZINC000547289486 941052798 /nfs/dbraw/zinc/05/27/98/941052798.db2.gz QAGALQVUAXEJGH-IBGZPJMESA-N -1 3 418.921 4.020 20 0 HIADHM CCOc1cc(C(=O)Nc2ccccc2CN2CCSCC2)cc(Cl)c1[O-] ZINC000547289436 941053019 /nfs/dbraw/zinc/05/30/19/941053019.db2.gz OOQYRNKKXNBCRE-UHFFFAOYSA-N -1 3 406.935 4.245 20 0 HIADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(COc2ccccc2F)on1 ZINC000547343809 941057376 /nfs/dbraw/zinc/05/73/76/941057376.db2.gz CUVZOYKBTNJPQH-UHFFFAOYSA-N -1 3 407.195 4.113 20 0 HIADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)c(F)c1 ZINC000548123366 941087962 /nfs/dbraw/zinc/08/79/62/941087962.db2.gz HIHMYSFRHBWSNK-UHFFFAOYSA-N -1 3 421.450 4.148 20 0 HIADHM Cc1[n-]c(S(=O)(=O)Cc2cc(Cl)c3c(c2)OCCCO3)nc1-c1ccccc1 ZINC000548298988 941094535 /nfs/dbraw/zinc/09/45/35/941094535.db2.gz IHCBCNLYHHDKFD-UHFFFAOYSA-N -1 3 418.902 4.174 20 0 HIADHM Cc1nc(S(=O)(=O)Cc2cc(Cl)c3c(c2)OCCCO3)[n-]c1-c1ccccc1 ZINC000548298988 941094537 /nfs/dbraw/zinc/09/45/37/941094537.db2.gz IHCBCNLYHHDKFD-UHFFFAOYSA-N -1 3 418.902 4.174 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C3=CCCCCC3)c2)cc1 ZINC000548497163 941109752 /nfs/dbraw/zinc/10/97/52/941109752.db2.gz DBYDSWJLYYDNLH-UHFFFAOYSA-N -1 3 414.527 4.003 20 0 HIADHM CC(F)(F)c1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cc1 ZINC000548770391 941123227 /nfs/dbraw/zinc/12/32/27/941123227.db2.gz NKWRIWXVEGCEMT-UHFFFAOYSA-N -1 3 421.241 4.332 20 0 HIADHM Cc1c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cnc2ccccc12 ZINC000548921730 941129311 /nfs/dbraw/zinc/12/93/11/941129311.db2.gz NKPVTMRJEAGOOW-UHFFFAOYSA-N -1 3 423.900 4.393 20 0 HIADHM Cc1ccccc1[C@@H](OC[C@@H](O)COc1ccc2c([O-])coc2c1)c1ccccc1 ZINC000549784722 941207399 /nfs/dbraw/zinc/20/73/99/941207399.db2.gz HFMKYHBCECMKEH-DFBJGRDBSA-N -1 3 404.462 4.116 20 0 HIADHM O=S(=O)(CCC(F)(F)F)[N-]C1(c2noc(CC3CCCC3)n2)CCCCCC1 ZINC000551212680 941428467 /nfs/dbraw/zinc/42/84/67/941428467.db2.gz NZEYKASRQREHBE-UHFFFAOYSA-N -1 3 423.501 4.224 20 0 HIADHM Brc1cccc(-c2nc(-c3noc([C@@H]4CCOc5ccccc54)n3)n[n-]2)c1 ZINC000551433844 941478304 /nfs/dbraw/zinc/47/83/04/941478304.db2.gz DWUIWRCTBXVULO-CQSZACIVSA-N -1 3 424.258 4.199 20 0 HIADHM COc1cc(Cl)cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000551616109 941513038 /nfs/dbraw/zinc/51/30/38/941513038.db2.gz KDJFSEOHWNQVLQ-UHFFFAOYSA-N -1 3 423.296 4.199 20 0 HIADHM CC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c1[O-] ZINC000552069240 941579160 /nfs/dbraw/zinc/57/91/60/941579160.db2.gz KOVPQOWVEWJOPF-UHFFFAOYSA-N -1 3 416.477 4.239 20 0 HIADHM CC(=O)c1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c1[O-] ZINC000552287648 941623400 /nfs/dbraw/zinc/62/34/00/941623400.db2.gz YHVTWTOPVNCKNY-UHFFFAOYSA-N -1 3 403.360 4.360 20 0 HIADHM O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1c([O-])cccc1Cl ZINC000552781686 941760919 /nfs/dbraw/zinc/76/09/19/941760919.db2.gz RTSPCACXRLCCCM-HSZRJFAPSA-N -1 3 416.724 4.335 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)c(C)cc3Br)nc21 ZINC000553430280 941883038 /nfs/dbraw/zinc/88/30/38/941883038.db2.gz OWLWJLCNFATIEZ-UHFFFAOYSA-N -1 3 422.666 4.326 20 0 HIADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000553475763 941891544 /nfs/dbraw/zinc/89/15/44/941891544.db2.gz JUAYEWQYFUPPBN-UHFFFAOYSA-N -1 3 408.421 4.441 20 0 HIADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000553475763 941891545 /nfs/dbraw/zinc/89/15/45/941891545.db2.gz JUAYEWQYFUPPBN-UHFFFAOYSA-N -1 3 408.421 4.441 20 0 HIADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1Cc2ccccc2CO1 ZINC000554657613 942190033 /nfs/dbraw/zinc/19/00/33/942190033.db2.gz UVDMIWBDEAZQOW-UHFFFAOYSA-N -1 3 419.662 4.032 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2csc3c2CCCC3)CC1 ZINC000554826454 942265694 /nfs/dbraw/zinc/26/56/94/942265694.db2.gz ZYNMABIMELRQBJ-UHFFFAOYSA-N -1 3 418.946 4.477 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc4c3CN(CC(F)(F)F)C4)c[n-]c12 ZINC000555290886 942464085 /nfs/dbraw/zinc/46/40/85/942464085.db2.gz HPRNKOSZJNHQCE-UHFFFAOYSA-N -1 3 419.378 4.106 20 0 HIADHM Cc1ccc(NC(=O)c2c[nH]nc2C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000555295749 942464962 /nfs/dbraw/zinc/46/49/62/942464962.db2.gz DBVYYNXDKNAQPP-UHFFFAOYSA-N -1 3 412.515 4.069 20 0 HIADHM Cc1ccc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000555295749 942464965 /nfs/dbraw/zinc/46/49/65/942464965.db2.gz DBVYYNXDKNAQPP-UHFFFAOYSA-N -1 3 412.515 4.069 20 0 HIADHM O=C(NCC1(C2CC2)CCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000555578717 942652657 /nfs/dbraw/zinc/65/26/57/942652657.db2.gz VORCKOOGLVVOBZ-UHFFFAOYSA-N -1 3 409.711 4.254 20 0 HIADHM O=C(N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)c1cncc([O-])c1 ZINC000555812795 942742287 /nfs/dbraw/zinc/74/22/87/942742287.db2.gz SMTRKTRFEXTOPJ-GOSISDBHSA-N -1 3 412.371 4.202 20 0 HIADHM O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cncc([O-])c1 ZINC000555812795 942742290 /nfs/dbraw/zinc/74/22/90/942742290.db2.gz SMTRKTRFEXTOPJ-GOSISDBHSA-N -1 3 412.371 4.202 20 0 HIADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000556178062 942814739 /nfs/dbraw/zinc/81/47/39/942814739.db2.gz UGSZZGGNZHPHCG-JOCHJYFZSA-N -1 3 412.747 4.326 20 0 HIADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccc(F)c1)c1cccnc1C(F)(F)F ZINC000557787160 943291409 /nfs/dbraw/zinc/29/14/09/943291409.db2.gz QTFADTHODIAKBT-QGZVFWFLSA-N -1 3 410.392 4.307 20 0 HIADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1 ZINC000557812771 943300571 /nfs/dbraw/zinc/30/05/71/943300571.db2.gz DQLSUASDQFGDRI-SFHVURJKSA-N -1 3 422.428 4.177 20 0 HIADHM CC(C)(C)OC(=O)c1ccc([N-]C(=O)c2ncsc2Br)c(F)c1 ZINC000558159013 943400473 /nfs/dbraw/zinc/40/04/73/943400473.db2.gz JHKZSAZDLQXGMK-UHFFFAOYSA-N -1 3 401.257 4.252 20 0 HIADHM COc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(Cl)c1OC ZINC000559105369 943841464 /nfs/dbraw/zinc/84/14/64/943841464.db2.gz DYLCAOZIPCRLAB-UHFFFAOYSA-N -1 3 424.733 4.185 20 0 HIADHM C[C@@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccncc1F ZINC000559921098 944085908 /nfs/dbraw/zinc/08/59/08/944085908.db2.gz OPEQLQLFRBXZSZ-CQSZACIVSA-N -1 3 403.454 4.011 20 0 HIADHM Brc1cccc(-c2nc(-c3noc(-c4scnc4C4CC4)n3)n[n-]2)c1 ZINC000559986384 944112750 /nfs/dbraw/zinc/11/27/50/944112750.db2.gz CUPYWSBXPODRMW-UHFFFAOYSA-N -1 3 415.276 4.285 20 0 HIADHM Cc1csc(C2([N-]S(=O)(=O)c3cccc(Br)c3Cl)CCC2)n1 ZINC000560038880 944135936 /nfs/dbraw/zinc/13/59/36/944135936.db2.gz IUSRICXNYNKHMW-UHFFFAOYSA-N -1 3 421.769 4.225 20 0 HIADHM CC(=O)c1cccc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c1[O-] ZINC000560551125 944251511 /nfs/dbraw/zinc/25/15/11/944251511.db2.gz SAGHQNAWZFXRJB-SFHVURJKSA-N -1 3 417.303 4.133 20 0 HIADHM Cc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000560621892 944276845 /nfs/dbraw/zinc/27/68/45/944276845.db2.gz GSSPNTRZLXVNFB-HUUCEWRRSA-N -1 3 420.506 4.077 20 0 HIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000560819346 944344520 /nfs/dbraw/zinc/34/45/20/944344520.db2.gz ZQLASJTXPVEYEA-UHFFFAOYSA-N -1 3 420.852 4.137 20 0 HIADHM CCc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1Cl ZINC000561328089 944553017 /nfs/dbraw/zinc/55/30/17/944553017.db2.gz XCBSUQFPQPEVIX-UHFFFAOYSA-N -1 3 421.881 4.423 20 0 HIADHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(C)c1OC ZINC000561560965 944673778 /nfs/dbraw/zinc/67/37/78/944673778.db2.gz IDXDVTIXKVRVGM-VIFPVBQESA-N -1 3 410.344 4.420 20 0 HIADHM O=c1[n-]c(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)nc2c3ccccc3oc21 ZINC000561906803 944849129 /nfs/dbraw/zinc/84/91/29/944849129.db2.gz OOLFITIMTJVZSH-OAHLLOKOSA-N -1 3 405.458 4.459 20 0 HIADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@H](c2ccccc2)C1 ZINC000562118896 944952236 /nfs/dbraw/zinc/95/22/36/944952236.db2.gz UMCYKABWQOKZJT-HNNXBMFYSA-N -1 3 411.299 4.310 20 0 HIADHM CC(C)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(=O)c1cc([O-])ccc1Cl ZINC000565125514 945780010 /nfs/dbraw/zinc/78/00/10/945780010.db2.gz GYIBHOPSMQEBNB-UHFFFAOYSA-N -1 3 413.861 4.215 20 0 HIADHM O=S(=O)([N-][C@H]1CCc2sc(Cl)cc21)c1cc(F)ccc1Br ZINC000566943034 946181076 /nfs/dbraw/zinc/18/10/76/946181076.db2.gz XPJNSAQDUNNWBU-JTQLQIEISA-N -1 3 410.717 4.269 20 0 HIADHM Cc1ncsc1C=Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000567026126 946220467 /nfs/dbraw/zinc/22/04/67/946220467.db2.gz TWSOPMSIBDUMDH-WAYWQWQTSA-N -1 3 415.276 4.220 20 0 HIADHM Cc1c(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)nnn1CC1CCCC1 ZINC000569897079 947041933 /nfs/dbraw/zinc/04/19/33/947041933.db2.gz FCEQQVKZRYZZLT-SFHVURJKSA-N -1 3 422.558 4.349 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Nc4nc(C)cs4)cc3)nc21 ZINC000572084903 947843057 /nfs/dbraw/zinc/84/30/57/947843057.db2.gz NVMBNVKOHNETEB-UHFFFAOYSA-N -1 3 407.455 4.110 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(CCC(C)C)cc1 ZINC000572425379 947899234 /nfs/dbraw/zinc/89/92/34/947899234.db2.gz COGCNQGUYQBZTH-UHFFFAOYSA-N -1 3 404.514 4.300 20 0 HIADHM Cn1c(=O)n(C)c2cc(NC(=O)c3csc(-c4ccc(Cl)cc4)c3)c([O-])cc21 ZINC000572431192 947901243 /nfs/dbraw/zinc/90/12/43/947901243.db2.gz CMICTNBQTIAFOM-UHFFFAOYSA-N -1 3 413.886 4.217 20 0 HIADHM Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000572549159 947942016 /nfs/dbraw/zinc/94/20/16/947942016.db2.gz JYSPWOYOKMFKCU-AWEZNQCLSA-N -1 3 413.415 4.013 20 0 HIADHM Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000572549160 947942205 /nfs/dbraw/zinc/94/22/05/947942205.db2.gz JYSPWOYOKMFKCU-CQSZACIVSA-N 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ZINC000575355171 948654337 /nfs/dbraw/zinc/65/43/37/948654337.db2.gz QYHJUHPDMVZELM-SECBINFHSA-N -1 3 424.268 4.028 20 0 HIADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164795262 721506335 /nfs/dbraw/zinc/50/63/35/721506335.db2.gz IZOCNESXSKCPGC-SJCJKPOMSA-N -1 3 412.893 4.044 20 0 HIADHM COc1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cc(OC)c1[O-] ZINC000435969856 861230579 /nfs/dbraw/zinc/23/05/79/861230579.db2.gz ZSPKMEZOEOPWGZ-OAHLLOKOSA-N -1 3 424.266 4.288 20 0 HIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435993704 861276251 /nfs/dbraw/zinc/27/62/51/861276251.db2.gz GKEFTJPFPUXGLJ-NSHDSACASA-N -1 3 407.417 4.023 20 0 HIADHM CC[C@H]1CCCC[C@H]1OCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000467523495 881340152 /nfs/dbraw/zinc/34/01/52/881340152.db2.gz QZSHNJINZQPKRS-MGPUTAFESA-N -1 3 422.953 4.208 20 0 HIADHM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000436076410 861357837 /nfs/dbraw/zinc/35/78/37/861357837.db2.gz 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O=C(Nc1cccc(COC2CCCCC2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436651381 861881887 /nfs/dbraw/zinc/88/18/87/861881887.db2.gz FMWIKKRWQOAKRK-QFIPXVFZSA-N -1 3 422.525 4.485 20 0 HIADHM O=C([N-]NC(=S)Nc1ccc(SC(F)F)cc1)c1ccc2ccccc2n1 ZINC000042084559 848283007 /nfs/dbraw/zinc/28/30/07/848283007.db2.gz KIQQVBWUWIMUHO-UHFFFAOYSA-N -1 3 404.467 4.181 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)c1 ZINC000436665707 861887208 /nfs/dbraw/zinc/88/72/08/861887208.db2.gz SJBASKSULBZZBJ-HNNXBMFYSA-N -1 3 411.502 4.373 20 0 HIADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436664184 861887640 /nfs/dbraw/zinc/88/76/40/861887640.db2.gz IETCIAAZZWNUIN-OAHLLOKOSA-N -1 3 423.538 4.130 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccc(C)c2)c1 ZINC000436671082 861889281 /nfs/dbraw/zinc/88/92/81/861889281.db2.gz JDQCEMJHICNYCM-FQEVSTJZSA-N -1 3 405.454 4.227 20 0 HIADHM COc1ccc([C@@H](NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C(C)C)cc1 ZINC000436672549 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424.840 4.208 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(Cl)c(Cl)c3)c2)n1 ZINC000046067332 848781347 /nfs/dbraw/zinc/78/13/47/848781347.db2.gz CRYQFZRAXAOWCH-UHFFFAOYSA-N -1 3 418.280 4.324 20 0 HIADHM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000436762824 861951992 /nfs/dbraw/zinc/95/19/92/861951992.db2.gz HVAWJPOHQGZMOQ-OAHLLOKOSA-N -1 3 402.376 4.173 20 0 HIADHM [O-]c1ccccc1-c1nc(CSc2nnc(-c3ccccc3F)n2C2CC2)no1 ZINC000436776565 861966523 /nfs/dbraw/zinc/96/65/23/861966523.db2.gz KAQYABFMHKMLNZ-UHFFFAOYSA-N -1 3 409.446 4.467 20 0 HIADHM CCOC(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)nc1 ZINC000436778549 861968612 /nfs/dbraw/zinc/96/86/12/861968612.db2.gz QZAHJNGDJKUHFH-UHFFFAOYSA-N -1 3 419.462 4.493 20 0 HIADHM CCOc1ccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000047322673 849025252 /nfs/dbraw/zinc/02/52/52/849025252.db2.gz HBGSCJJHBUKTIO-UHFFFAOYSA-N -1 3 417.893 4.327 20 0 HIADHM CC(C)(C)n1ncc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c1C(F)(F)F 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ZINC000437316684 862580471 /nfs/dbraw/zinc/58/04/71/862580471.db2.gz PSTPGTVQJHBPOO-JTQLQIEISA-N -1 3 420.903 4.039 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3(C)CCCCC3)c2)cc1 ZINC000302953229 854694459 /nfs/dbraw/zinc/69/44/59/854694459.db2.gz FEOWLGASPQSJRE-UHFFFAOYSA-N -1 3 416.543 4.257 20 0 HIADHM CCCCO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000302998913 854715956 /nfs/dbraw/zinc/71/59/56/854715956.db2.gz HTHRIELLBIPPIU-KRWDZBQOSA-N -1 3 404.532 4.248 20 0 HIADHM CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000303064445 854745204 /nfs/dbraw/zinc/74/52/04/854745204.db2.gz YKPDPCLEDGCQNT-UHFFFAOYSA-N -1 3 422.934 4.251 20 0 HIADHM CSc1ccccc1NC(=O)CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000303085472 854754368 /nfs/dbraw/zinc/75/43/68/854754368.db2.gz BGHUHQIMYQEAKT-UHFFFAOYSA-N -1 3 420.534 4.416 20 0 HIADHM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000303248406 854834728 /nfs/dbraw/zinc/83/47/28/854834728.db2.gz AQVQSMIRVYOWON-UHFFFAOYSA-N -1 3 411.527 4.192 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cn4ccccc4n3)cc2)cc1C ZINC000303268929 854843642 /nfs/dbraw/zinc/84/36/42/854843642.db2.gz JCXKVZFMFJFWPY-UHFFFAOYSA-N -1 3 407.495 4.331 20 0 HIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCc3noc(C)n3)cc2)cc1 ZINC000303279579 854848365 /nfs/dbraw/zinc/84/83/65/854848365.db2.gz JQDDSSLOPDXFOQ-AWEZNQCLSA-N -1 3 401.488 4.271 20 0 HIADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCc3noc(C4CC4)n3)cc2)cc1 ZINC000303425706 854927047 /nfs/dbraw/zinc/92/70/47/854927047.db2.gz DOKNITOEDYSHAE-UHFFFAOYSA-N -1 3 413.499 4.450 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c(Br)c1 ZINC000318788998 855384257 /nfs/dbraw/zinc/38/42/57/855384257.db2.gz SFLLAQVCDRHXCS-UHFFFAOYSA-N -1 3 405.657 4.120 20 0 HIADHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000321990873 855391702 /nfs/dbraw/zinc/39/17/02/855391702.db2.gz FAAUFJFFEPMWRH-UHFFFAOYSA-N -1 3 410.211 4.277 20 0 HIADHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC000324804649 855400865 /nfs/dbraw/zinc/40/08/65/855400865.db2.gz RUKFPZVUXKJNIJ-UHFFFAOYSA-N -1 3 424.238 4.499 20 0 HIADHM Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2)c(F)cc1Br ZINC000383724580 855438683 /nfs/dbraw/zinc/43/86/83/855438683.db2.gz FARLCWFTRLWKTI-UHFFFAOYSA-N -1 3 423.101 4.460 20 0 HIADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1c(Cl)cccc1Br ZINC000388518321 855446771 /nfs/dbraw/zinc/44/67/71/855446771.db2.gz IZUCUGZXVQIFJT-UHFFFAOYSA-N -1 3 401.134 4.296 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1c(F)cccc1F ZINC000390198716 855453840 /nfs/dbraw/zinc/45/38/40/855453840.db2.gz IVYRPBIHFNYYKC-MRVPVSSYSA-N -1 3 410.667 4.420 20 0 HIADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000391572326 855459954 /nfs/dbraw/zinc/45/99/54/855459954.db2.gz RSUJBCUJRZZDCD-UHFFFAOYSA-N -1 3 404.232 4.121 20 0 HIADHM CSc1cccc(F)c1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000409734175 855626248 /nfs/dbraw/zinc/62/62/48/855626248.db2.gz UXUWSPLPYHKCFN-UHFFFAOYSA-N -1 3 422.909 4.398 20 0 HIADHM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1cccc(Cl)c1Br ZINC000409912316 855719882 /nfs/dbraw/zinc/71/98/82/855719882.db2.gz QNVXIGCTKASFLQ-UHFFFAOYSA-N -1 3 402.688 4.206 20 0 HIADHM O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000410087003 855813106 /nfs/dbraw/zinc/81/31/06/855813106.db2.gz MJDGAWSVBWEQST-UHFFFAOYSA-N -1 3 401.397 4.172 20 0 HIADHM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cnn(-c3ncc(Cl)cc3Cl)c2)c1 ZINC000410338088 855936184 /nfs/dbraw/zinc/93/61/84/855936184.db2.gz CVLQDDPTSFEXEO-UHFFFAOYSA-N -1 3 411.314 4.133 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3nc4c(cccc4C)[nH]3)c2)n1 ZINC000426133167 856128517 /nfs/dbraw/zinc/12/85/17/856128517.db2.gz HJPWPJVQGGAPBD-UHFFFAOYSA-N -1 3 401.470 4.168 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3nc4cccc(C)c4[nH]3)c2)n1 ZINC000426133167 856128522 /nfs/dbraw/zinc/12/85/22/856128522.db2.gz HJPWPJVQGGAPBD-UHFFFAOYSA-N -1 3 401.470 4.168 20 0 HIADHM CCOc1c(Br)cc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1OC ZINC000426696575 856417501 /nfs/dbraw/zinc/41/75/01/856417501.db2.gz PEXLENBZWDXLLR-AWEZNQCLSA-N -1 3 414.321 4.224 20 0 HIADHM O=C([O-])[C@H](CSCCOc1ccccc1)NCc1ccc(Cl)cc1Cl ZINC000426721124 856433232 /nfs/dbraw/zinc/43/32/32/856433232.db2.gz RDOMZYPMRYDQOW-KRWDZBQOSA-N -1 3 400.327 4.348 20 0 HIADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc(Br)ccc2OC)cc1 ZINC000426721400 856434393 /nfs/dbraw/zinc/43/43/93/856434393.db2.gz BJOJSXXNRQJDNN-KRWDZBQOSA-N -1 3 408.292 4.162 20 0 HIADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1Br ZINC000426723388 856435951 /nfs/dbraw/zinc/43/59/51/856435951.db2.gz LPTRKTWEFJCDAU-HNNXBMFYSA-N -1 3 402.647 4.166 20 0 HIADHM Cc1cccc([C@H](NCc2cc(Br)c3c(c2)OCCCO3)C(=O)[O-])c1C ZINC000426725906 856436660 /nfs/dbraw/zinc/43/66/60/856436660.db2.gz FYRGNBDBVIHNLU-SFHVURJKSA-N -1 3 420.303 4.143 20 0 HIADHM O=C([O-])CC[C@H](Cc1ccccc1)NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000426738893 856445660 /nfs/dbraw/zinc/44/56/60/856445660.db2.gz ZPRWPAXXEALMLX-OAHLLOKOSA-N -1 3 419.312 4.140 20 0 HIADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc(-c2ccc(Br)cc2)s1 ZINC000426758771 856460876 /nfs/dbraw/zinc/46/08/76/856460876.db2.gz UGRCESDCSMLOJS-QGZVFWFLSA-N -1 3 423.376 4.206 20 0 HIADHM O=C([O-])[C@H](NCc1ccc(OCc2ccncc2)cc1)c1ccc(Cl)c(F)c1 ZINC000426758300 856461046 /nfs/dbraw/zinc/46/10/46/856461046.db2.gz RVWBYGKOGFHQQT-HXUWFJFHSA-N -1 3 400.837 4.369 20 0 HIADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(Br)c3cccnc23)c1 ZINC000426771879 856469144 /nfs/dbraw/zinc/46/91/44/856469144.db2.gz GVWSDZBJAAYUBM-SFHVURJKSA-N -1 3 415.287 4.312 20 0 HIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000426796179 856483732 /nfs/dbraw/zinc/48/37/32/856483732.db2.gz AOHHNRVRPYNMMH-JOCHJYFZSA-N -1 3 401.466 4.340 20 0 HIADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1OCc1ccc(F)cc1 ZINC000426811733 856492598 /nfs/dbraw/zinc/49/25/98/856492598.db2.gz NYUMHLFRSZSAOC-QFIPXVFZSA-N -1 3 413.420 4.468 20 0 HIADHM CCc1ccc([C@H](NCc2ccc(OCc3ccncc3)c(OC)c2)C(=O)[O-])cc1 ZINC000426820051 856496584 /nfs/dbraw/zinc/49/65/84/856496584.db2.gz XPFGIEJRPVAWGZ-QHCPKHFHSA-N -1 3 406.482 4.147 20 0 HIADHM O=C([O-])C[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1cccc(Br)c1 ZINC000426821453 856497411 /nfs/dbraw/zinc/49/74/11/856497411.db2.gz STZDRJNYOGVHKG-KRWDZBQOSA-N -1 3 400.276 4.145 20 0 HIADHM O=C([O-])[C@H](NCc1cc(Br)cs1)c1ccc(Br)cc1 ZINC000426827288 856501716 /nfs/dbraw/zinc/50/17/16/856501716.db2.gz VVXMGRDINXGHIR-GFCCVEGCSA-N -1 3 405.111 4.189 20 0 HIADHM O=C(CCC(=O)Nc1cc(Cl)ccc1[O-])Nc1nnc(C2CCCCC2)s1 ZINC000427041674 856608033 /nfs/dbraw/zinc/60/80/33/856608033.db2.gz UTASUDRHOFXEDR-UHFFFAOYSA-N -1 3 408.911 4.302 20 0 HIADHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427088291 856628171 /nfs/dbraw/zinc/62/81/71/856628171.db2.gz JDLZHYHBVRRSMI-UHFFFAOYSA-N -1 3 404.499 4.092 20 0 HIADHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427088291 856628178 /nfs/dbraw/zinc/62/81/78/856628178.db2.gz JDLZHYHBVRRSMI-UHFFFAOYSA-N -1 3 404.499 4.092 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000427090789 856629807 /nfs/dbraw/zinc/62/98/07/856629807.db2.gz AOACPAHNRQLFIH-NRFANRHFSA-N -1 3 419.872 4.203 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000427090789 856629813 /nfs/dbraw/zinc/62/98/13/856629813.db2.gz AOACPAHNRQLFIH-NRFANRHFSA-N -1 3 419.872 4.203 20 0 HIADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c(F)c1 ZINC000428315394 857148853 /nfs/dbraw/zinc/14/88/53/857148853.db2.gz MRXTYOCQCPOQHP-LBPRGKRZSA-N -1 3 409.870 4.018 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccnn2C(C)C)cc1 ZINC000429009135 857456265 /nfs/dbraw/zinc/45/62/65/857456265.db2.gz ZPQGMXHZXFNQFT-UHFFFAOYSA-N -1 3 412.515 4.134 20 0 HIADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1nccs1 ZINC000429820570 857897559 /nfs/dbraw/zinc/89/75/59/857897559.db2.gz OCOXOOCSNBXCOB-ZDUSSCGKSA-N -1 3 409.758 4.163 20 0 HIADHM O=S(=O)([N-]C1(c2nccs2)CCCC1)c1cc(Cl)ccc1Br ZINC000429822105 857898413 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407.318 4.240 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3c(C)cccc3C)c2)cc1 ZINC000475049858 889898031 /nfs/dbraw/zinc/89/80/31/889898031.db2.gz SZPJNCWLVBDKQE-UHFFFAOYSA-N -1 3 424.522 4.043 20 0 HIADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000475828516 890762640 /nfs/dbraw/zinc/76/26/40/890762640.db2.gz FDNBQCKPFNKNEV-UHFFFAOYSA-N -1 3 422.812 4.070 20 0 HIADHM CC(C)CN(CC(C)(C)C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000475854624 890787980 /nfs/dbraw/zinc/78/79/80/890787980.db2.gz QULDZZJPYURVAJ-UHFFFAOYSA-N -1 3 409.527 4.099 20 0 HIADHM CCC[C@](C)(CC)C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000476061511 890990591 /nfs/dbraw/zinc/99/05/91/890990591.db2.gz LOOYELCSEBWTPJ-QFIPXVFZSA-N -1 3 418.559 4.329 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3n[nH]c4c3CCCCC4)cc2)cc1 ZINC000476096245 891016906 /nfs/dbraw/zinc/01/69/06/891016906.db2.gz SGEWAAPKYDRPHS-UHFFFAOYSA-N -1 3 424.526 4.040 20 0 HIADHM 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894837777 /nfs/dbraw/zinc/83/77/77/894837777.db2.gz TZLQMPPUORQAIB-UHFFFAOYSA-N -1 3 419.462 4.081 20 0 HIADHM CCc1ccc([C@H]2CN(C(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)CCO2)cc1 ZINC000479563179 894859858 /nfs/dbraw/zinc/85/98/58/894859858.db2.gz BJPSMTHQFJZHNX-JOCHJYFZSA-N -1 3 418.497 4.325 20 0 HIADHM CC(C)(CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000480111519 895482432 /nfs/dbraw/zinc/48/24/32/895482432.db2.gz SWNMQBIXNJLBRX-UHFFFAOYSA-N -1 3 406.832 4.201 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@H](c4ccccc4)C3)nc(=O)c2c1C ZINC000480204939 895604332 /nfs/dbraw/zinc/60/43/32/895604332.db2.gz VCJUJVSFFGYNMU-GOEBONIOSA-N -1 3 411.527 4.020 20 0 HIADHM COc1cc(C(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)cc(OC)c1[O-] ZINC000480410880 895810639 /nfs/dbraw/zinc/81/06/39/895810639.db2.gz YWMXDBQTJWAFLT-CQSZACIVSA-N -1 3 415.486 4.230 20 0 HIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000480457495 895843581 /nfs/dbraw/zinc/84/35/81/895843581.db2.gz BFJSYIYNKUSYKO-MOPGFXCFSA-N -1 3 400.438 4.386 20 0 HIADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)C1 ZINC000480813212 896184423 /nfs/dbraw/zinc/18/44/23/896184423.db2.gz PFIDIMRFTWORKK-WFASDCNBSA-N -1 3 411.428 4.241 20 0 HIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000480963502 896302773 /nfs/dbraw/zinc/30/27/73/896302773.db2.gz ZERBYTOOBALKPG-UHFFFAOYSA-N -1 3 422.460 4.194 20 0 HIADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000481008465 896339650 /nfs/dbraw/zinc/33/96/50/896339650.db2.gz OMTCJQZLIXVBPU-RBUKOAKNSA-N -1 3 422.547 4.031 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3cccc(OCC(F)(F)F)c3)nc2)n1 ZINC000481034875 896361785 /nfs/dbraw/zinc/36/17/85/896361785.db2.gz JMEPMGSHYDUITQ-UHFFFAOYSA-N -1 3 418.419 4.402 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1nc(C2CCCCC2)no1 ZINC000481040039 896365011 /nfs/dbraw/zinc/36/50/11/896365011.db2.gz RWGYRFGFVGPOQM-GFCCVEGCSA-N -1 3 417.453 4.262 20 0 HIADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccccn2)sc1Br ZINC000481050703 896374776 /nfs/dbraw/zinc/37/47/76/896374776.db2.gz BGELWKNYNMQBFX-MRXNPFEDSA-N -1 3 423.357 4.282 20 0 HIADHM O=C([N-]c1ccc(=O)n(Cc2ccccc2Cl)c1)c1c(F)c(F)cc(F)c1F ZINC000481158922 896492491 /nfs/dbraw/zinc/49/24/91/896492491.db2.gz ZOGAJBNJLHXEKR-UHFFFAOYSA-N -1 3 410.754 4.359 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(Cl)c1SCC(F)F ZINC000481209854 896564090 /nfs/dbraw/zinc/56/40/90/896564090.db2.gz QPJOQYWNVSQDKK-UHFFFAOYSA-N -1 3 415.775 4.156 20 0 HIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1ccc(Br)cn1 ZINC000481246325 896598568 /nfs/dbraw/zinc/59/85/68/896598568.db2.gz OBZBJCQLHBBDMQ-SNVBAGLBSA-N -1 3 413.268 4.077 20 0 HIADHM O=c1[n-]c(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)nc2c3ccccc3oc21 ZINC000481580308 896958837 /nfs/dbraw/zinc/95/88/37/896958837.db2.gz STAXQXQHJOTNDY-QGZVFWFLSA-N -1 3 413.836 4.448 20 0 HIADHM C[C@@H](OCCCNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000481922873 897307720 /nfs/dbraw/zinc/30/77/20/897307720.db2.gz NZFJVQRQJGXTAT-CQSZACIVSA-N -1 3 407.308 4.122 20 0 HIADHM Cc1nc(-c2ccc(CNC(=O)NCc3ccc([O-])c(Br)c3)o2)cs1 ZINC000482088057 897529303 /nfs/dbraw/zinc/52/93/03/897529303.db2.gz IEIQIKKFVVVMKI-UHFFFAOYSA-N -1 3 422.304 4.179 20 0 HIADHM Cc1cc(Cl)ccc1O[C@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000482204438 897681788 /nfs/dbraw/zinc/68/17/88/897681788.db2.gz CZZNCYGSQZWISO-INIZCTEOSA-N -1 3 424.810 4.222 20 0 HIADHM Cc1cc(Cl)ccc1O[C@@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000482204440 897681988 /nfs/dbraw/zinc/68/19/88/897681988.db2.gz CZZNCYGSQZWISO-MRXNPFEDSA-N -1 3 424.810 4.222 20 0 HIADHM CCOc1ccc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000482291070 897786365 /nfs/dbraw/zinc/78/63/65/897786365.db2.gz OFBGKOLZPROFHK-LBPRGKRZSA-N -1 3 423.307 4.122 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCSc2c(F)cccc21 ZINC000482310816 897809650 /nfs/dbraw/zinc/80/96/50/897809650.db2.gz OZPIUWZEUCGVNQ-AWEZNQCLSA-N -1 3 411.296 4.330 20 0 HIADHM CCc1ccc([O-])c(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c1 ZINC000482357565 897873034 /nfs/dbraw/zinc/87/30/34/897873034.db2.gz BTYYPLOVJTWQSC-HOYKHHGWSA-N -1 3 403.482 4.199 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000482390348 897922484 /nfs/dbraw/zinc/92/24/84/897922484.db2.gz RZSKGQPQCSCYNT-ZDUSSCGKSA-N -1 3 417.313 4.080 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000482593714 898194837 /nfs/dbraw/zinc/19/48/37/898194837.db2.gz BSEOFUMBBZGUBC-HZMBPMFUSA-N -1 3 413.674 4.303 20 0 HIADHM Cc1cc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)ccc1Oc1ccc(F)cc1 ZINC000482918661 898537009 /nfs/dbraw/zinc/53/70/09/898537009.db2.gz IWLDFUQYVBGELQ-UHFFFAOYSA-N -1 3 423.370 4.063 20 0 HIADHM CC(C)C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000482983793 898623251 /nfs/dbraw/zinc/62/32/51/898623251.db2.gz OXLQBIXGOWRAHY-GFCCVEGCSA-N -1 3 423.361 4.429 20 0 HIADHM COc1ccc(-c2cc3[n-]c(CN4CCC[C@@](C)(OC)CC4)nc(=O)c3s2)cc1 ZINC000483029488 898692731 /nfs/dbraw/zinc/69/27/31/898692731.db2.gz TYYOMPCIEDCZIH-JOCHJYFZSA-N -1 3 413.543 4.051 20 0 HIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000483101465 898794059 /nfs/dbraw/zinc/79/40/59/898794059.db2.gz VCWFKINUWGXKCD-QGZVFWFLSA-N -1 3 411.246 4.383 20 0 HIADHM CC(C)n1cc2cc(NC(=O)NCc3ccc([O-])c(Br)c3)ccc2n1 ZINC000483201577 898855956 /nfs/dbraw/zinc/85/59/56/898855956.db2.gz RQFQMYTUJFTVEN-UHFFFAOYSA-N -1 3 403.280 4.407 20 0 HIADHM CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000483343519 898973648 /nfs/dbraw/zinc/97/36/48/898973648.db2.gz FJNXRSPUIJEUNF-VBKZILBWSA-N -1 3 404.532 4.104 20 0 HIADHM CC(=O)Nc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)c(Cl)c1 ZINC000483359906 898997323 /nfs/dbraw/zinc/99/73/23/898997323.db2.gz PHNDCSIWSQKIHT-UHFFFAOYSA-N -1 3 412.671 4.088 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000483385748 899021543 /nfs/dbraw/zinc/02/15/43/899021543.db2.gz UAMPIAWQFPWTTN-UONOGXRCSA-N -1 3 407.283 4.429 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000483572823 899226329 /nfs/dbraw/zinc/22/63/29/899226329.db2.gz YOBGMUZOIRNALA-CYBMUJFWSA-N -1 3 401.820 4.304 20 0 HIADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000484069379 899704488 /nfs/dbraw/zinc/70/44/88/899704488.db2.gz FYPKVIPBSCFIPX-UHFFFAOYSA-N -1 3 406.467 4.018 20 0 HIADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000484197412 899809345 /nfs/dbraw/zinc/80/93/45/899809345.db2.gz DPCHMHCZKJZUMS-ZDUSSCGKSA-N -1 3 400.450 4.061 20 0 HIADHM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484274563 899846272 /nfs/dbraw/zinc/84/62/72/899846272.db2.gz XOGKJDOHJZMNSW-LJQANCHMSA-N -1 3 422.435 4.153 20 0 HIADHM CCCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H](CC)C(=O)OCC ZINC000484532524 900018103 /nfs/dbraw/zinc/01/81/03/900018103.db2.gz ABNVUQLCLUGAAY-AWEZNQCLSA-N -1 3 403.504 4.211 20 0 HIADHM COC(=O)c1cnc(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)[n-]1 ZINC000484552354 900030998 /nfs/dbraw/zinc/03/09/98/900030998.db2.gz BHVWGTNVWTWFMK-UHFFFAOYSA-N -1 3 416.528 4.247 20 0 HIADHM Cc1nc(C)c(CC(=O)NC[C@H](Cc2ccc(Cl)cc2Cl)C(C)C)c(=O)[n-]1 ZINC000484860795 900250959 /nfs/dbraw/zinc/25/09/59/900250959.db2.gz DTIUMLPPDHUMEY-HNNXBMFYSA-N -1 3 410.345 4.279 20 0 HIADHM Cc1nc(C)c(CCC(=O)N2C[C@@H](C)C[C@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000484960774 900324382 /nfs/dbraw/zinc/32/43/82/900324382.db2.gz NPTLHRFGJYPVIO-SGTLLEGYSA-N -1 3 407.436 4.360 20 0 HIADHM COCCOc1ccc(Cl)cc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485097755 900407680 /nfs/dbraw/zinc/40/76/80/900407680.db2.gz RAFOMGKLPQACBB-UHFFFAOYSA-N -1 3 412.833 4.149 20 0 HIADHM COCCOc1ccc(Cl)cc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485097755 900407686 /nfs/dbraw/zinc/40/76/86/900407686.db2.gz RAFOMGKLPQACBB-UHFFFAOYSA-N -1 3 412.833 4.149 20 0 HIADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(N2CCCCCC2)nc1 ZINC000485111281 900417944 /nfs/dbraw/zinc/41/79/44/900417944.db2.gz AEPCVZFRLCWRSN-UHFFFAOYSA-N -1 3 402.458 4.246 20 0 HIADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(N2CCCCCC2)nc1 ZINC000485111281 900417949 /nfs/dbraw/zinc/41/79/49/900417949.db2.gz AEPCVZFRLCWRSN-UHFFFAOYSA-N -1 3 402.458 4.246 20 0 HIADHM COc1ccc(C2(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)CCC2)cc1OC ZINC000485139061 900439971 /nfs/dbraw/zinc/43/99/71/900439971.db2.gz CNQUEIBDOKTUMD-UHFFFAOYSA-N -1 3 418.453 4.296 20 0 HIADHM CC(C)[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Nc1ccccc1 ZINC000485297792 900576348 /nfs/dbraw/zinc/57/63/48/900576348.db2.gz CFQAXYKWISEIPT-KRWDZBQOSA-N -1 3 406.324 4.091 20 0 HIADHM C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000485686337 900937676 /nfs/dbraw/zinc/93/76/76/900937676.db2.gz SQMUWIDTBWOCSH-ZDUSSCGKSA-N -1 3 418.902 4.271 20 0 HIADHM COC(=O)c1cccc2c1CCCN2Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000505838743 914491724 /nfs/dbraw/zinc/49/17/24/914491724.db2.gz OKEKHOSEEMJKRV-UHFFFAOYSA-N -1 3 421.478 4.396 20 0 HIADHM CCCCc1nc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c(C(=O)OCC)[n-]1 ZINC000485702401 900952019 /nfs/dbraw/zinc/95/20/19/900952019.db2.gz SMNPTNYLXHWVRV-UHFFFAOYSA-N -1 3 423.517 4.043 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cscc2-c2ccccc2)cc1OC ZINC000485978172 901195487 /nfs/dbraw/zinc/19/54/87/901195487.db2.gz WEDOTPHYJTYMCD-UHFFFAOYSA-N -1 3 416.524 4.438 20 0 HIADHM O=c1cc(C=Cc2ccc(OC(F)F)c(Br)c2)nc(-c2ccncc2)[n-]1 ZINC000486055541 901252376 /nfs/dbraw/zinc/25/23/76/901252376.db2.gz ZYNFUTGPMVOEAO-IWQZZHSRSA-N -1 3 420.213 4.366 20 0 HIADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc2ncsc2c1 ZINC000486249676 901432502 /nfs/dbraw/zinc/43/25/02/901432502.db2.gz AMLWBPIFRIFZFW-JTQLQIEISA-N -1 3 406.305 4.325 20 0 HIADHM O=S(=O)([N-]c1cc(F)cc(Br)c1F)c1ccc2ncsc2c1 ZINC000486567698 901712738 /nfs/dbraw/zinc/71/27/38/901712738.db2.gz RMBXTHKIUMKJRW-UHFFFAOYSA-N -1 3 405.245 4.138 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1Cl ZINC000486576617 901719000 /nfs/dbraw/zinc/71/90/00/901719000.db2.gz QAYRKZIKUNBSLU-UHFFFAOYSA-N -1 3 412.639 4.190 20 0 HIADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 ZINC000486653372 901775958 /nfs/dbraw/zinc/77/59/58/901775958.db2.gz DTEWAQIBHUSQEF-HNNXBMFYSA-N -1 3 423.359 4.073 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 ZINC000487299720 902141771 /nfs/dbraw/zinc/14/17/71/902141771.db2.gz USQMQAODTLHMEG-IFXJQAMLSA-N -1 3 401.825 4.087 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC000505990924 914657816 /nfs/dbraw/zinc/65/78/16/914657816.db2.gz GBODHHHIILMVOE-UHFFFAOYSA-N -1 3 400.832 4.286 20 0 HIADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000488670545 902930073 /nfs/dbraw/zinc/93/00/73/902930073.db2.gz FGSWHFPHDDKPCX-HNNXBMFYSA-N -1 3 404.304 4.290 20 0 HIADHM O=C(CSCc1cccc(Cl)c1)NCc1ccc([O-])c(Br)c1 ZINC000488677605 902940260 /nfs/dbraw/zinc/94/02/60/902940260.db2.gz PKONRUXTBMWPBC-UHFFFAOYSA-N -1 3 400.725 4.358 20 0 HIADHM CN(CCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000488938080 903086586 /nfs/dbraw/zinc/08/65/86/903086586.db2.gz FTHJVPPTTRQDQN-UHFFFAOYSA-N -1 3 404.429 4.039 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(SC)CCC3)ccc2C)cc1 ZINC000490449249 904015997 /nfs/dbraw/zinc/01/59/97/904015997.db2.gz YHBAXWSTAAWBFH-UHFFFAOYSA-N -1 3 420.556 4.029 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3ccc(C)cc32)cc1Cl ZINC000490447559 904016264 /nfs/dbraw/zinc/01/62/64/904016264.db2.gz TUOPXYPSBKBLRI-QGZVFWFLSA-N -1 3 410.898 4.102 20 0 HIADHM Cc1ccc(NC(=O)C2CCSCC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000492555940 904867076 /nfs/dbraw/zinc/86/70/76/904867076.db2.gz CMMVELMSFFXFBS-UHFFFAOYSA-N -1 3 408.520 4.017 20 0 HIADHM O=C(Nc1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1)C1CCC1 ZINC000506238416 914858114 /nfs/dbraw/zinc/85/81/14/914858114.db2.gz AWBIMRYLZYDYSX-UHFFFAOYSA-N -1 3 419.355 4.272 20 0 HIADHM O=C(N[C@H]1CCCc2occc21)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000493366244 905093662 /nfs/dbraw/zinc/09/36/62/905093662.db2.gz BOKRUXRSVVOSHW-SFHVURJKSA-N -1 3 414.458 4.027 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)C34C[C@H]5C[C@@H](C3)CC(C(F)(F)F)(C5)C4)nc21 ZINC000494095667 905428752 /nfs/dbraw/zinc/42/87/52/905428752.db2.gz AAVQYOYBFLRTGQ-WFSAKUOBSA-N -1 3 421.419 4.437 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCCC(C)(C)C1 ZINC000494315454 905629678 /nfs/dbraw/zinc/62/96/78/905629678.db2.gz IHWLUJVRMZNYEE-UHFFFAOYSA-N -1 3 404.507 4.197 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC(C)(C)C3)c2)cc1 ZINC000494473957 905755070 /nfs/dbraw/zinc/75/50/70/905755070.db2.gz OIPWNYAWLFEOEH-UHFFFAOYSA-N -1 3 416.543 4.067 20 0 HIADHM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)c2)n1 ZINC000494604684 905859237 /nfs/dbraw/zinc/85/92/37/905859237.db2.gz YSABDLGIJPRMFR-UHFFFAOYSA-N -1 3 423.416 4.194 20 0 HIADHM O=c1cc(CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)occ1[O-] ZINC000495274320 906352247 /nfs/dbraw/zinc/35/22/47/906352247.db2.gz SUJRNCAULSFCKV-UHFFFAOYSA-N -1 3 417.390 4.131 20 0 HIADHM COc1cc(C(=O)N(Cc2csc(Br)c2)C2CC2)cc(OC)c1[O-] ZINC000495432047 906448358 /nfs/dbraw/zinc/44/83/58/906448358.db2.gz RMQWIGSVXHBPKW-UHFFFAOYSA-N -1 3 412.305 4.038 20 0 HIADHM COCC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000497783417 907276864 /nfs/dbraw/zinc/27/68/64/907276864.db2.gz DKBATKVTTUKZMG-MRXNPFEDSA-N -1 3 401.265 4.415 20 0 HIADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1 ZINC000497895981 907369165 /nfs/dbraw/zinc/36/91/65/907369165.db2.gz CIIUPGVTHMQYPO-UHFFFAOYSA-N -1 3 423.600 4.399 20 0 HIADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)c1C ZINC000497916527 907387878 /nfs/dbraw/zinc/38/78/78/907387878.db2.gz YLFMIXIULHKUGF-UHFFFAOYSA-N -1 3 409.573 4.044 20 0 HIADHM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[N-]c3nc(-c4cccs4)ns3)n2)n1 ZINC000497977540 907450425 /nfs/dbraw/zinc/45/04/25/907450425.db2.gz TXMYRSDOJVVZNS-UHFFFAOYSA-N -1 3 416.919 4.370 20 0 HIADHM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1 ZINC000498019689 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4.032 20 0 HIADHM COc1ccccc1COC1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000535793338 933391731 /nfs/dbraw/zinc/39/17/31/933391731.db2.gz UFYYPHNVANIUAT-UHFFFAOYSA-N -1 3 419.481 4.271 20 0 HIADHM Cc1[nH]nc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)ccc12 ZINC000535818524 933412321 /nfs/dbraw/zinc/41/23/21/933412321.db2.gz SETGIIXKUZRDJC-UHFFFAOYSA-N -1 3 420.494 4.233 20 0 HIADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(-c3nc(C)cs3)cc1)c2=O ZINC000536099280 933651474 /nfs/dbraw/zinc/65/14/74/933651474.db2.gz MUUGNYJCTFPQFO-UHFFFAOYSA-N -1 3 409.442 4.360 20 0 HIADHM C[C@@H](c1cccc(F)c1)N1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000537683170 938353323 /nfs/dbraw/zinc/35/33/23/938353323.db2.gz GYFAWIHOJDNOLW-HNNXBMFYSA-N -1 3 406.461 4.100 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2(c3ccccc3)CCCC2)c1 ZINC000537734007 938365821 /nfs/dbraw/zinc/36/58/21/938365821.db2.gz XTJBOWISNWOHTD-UHFFFAOYSA-N -1 3 405.454 4.140 20 0 HIADHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000537742727 938367440 /nfs/dbraw/zinc/36/74/40/938367440.db2.gz JCPFSOXRHGQIAU-YGRLFVJLSA-N -1 3 422.341 4.013 20 0 HIADHM CCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)c([O-])c1 ZINC000537822367 938384087 /nfs/dbraw/zinc/38/40/87/938384087.db2.gz FWNGEIMNKBIRIK-UHFFFAOYSA-N -1 3 412.467 4.165 20 0 HIADHM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000537836343 938386387 /nfs/dbraw/zinc/38/63/87/938386387.db2.gz HHJGVDYRIXDPOY-UHFFFAOYSA-N -1 3 422.506 4.373 20 0 HIADHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000537875174 938396776 /nfs/dbraw/zinc/39/67/76/938396776.db2.gz QTKPYRPBAZNEKZ-UHFFFAOYSA-N -1 3 411.527 4.181 20 0 HIADHM COC(=O)c1sc2[n-]c(CN[C@H](c3ccccc3Cl)C(C)C)nc(=O)c2c1C ZINC000538188246 938544893 /nfs/dbraw/zinc/54/48/93/938544893.db2.gz NCMVMZKMHULYHK-INIZCTEOSA-N -1 3 419.934 4.220 20 0 HIADHM CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000538757643 938703487 /nfs/dbraw/zinc/70/34/87/938703487.db2.gz XUAKBPXSOALESN-UHFFFAOYSA-N -1 3 408.347 4.172 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)C(C)(C)C)c1 ZINC000538838550 938723025 /nfs/dbraw/zinc/72/30/25/938723025.db2.gz TUTNQEUUXSDCBI-HXUWFJFHSA-N -1 3 407.470 4.458 20 0 HIADHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cnc(Oc2ccccc2)cn1 ZINC000539136849 938809474 /nfs/dbraw/zinc/80/94/74/938809474.db2.gz IQUOHWSEHHKXIB-UHFFFAOYSA-N -1 3 407.430 4.103 20 0 HIADHM CC(C)(C)C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(F)(F)F ZINC000539799253 938937807 /nfs/dbraw/zinc/93/78/07/938937807.db2.gz QHOJZGHWLYIHMH-CQSZACIVSA-N -1 3 419.241 4.388 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1 ZINC000539931605 938978755 /nfs/dbraw/zinc/97/87/55/938978755.db2.gz XYKFEYDVDWTXKW-HXUWFJFHSA-N -1 3 420.469 4.093 20 0 HIADHM COc1ccc([C@@H](NCc2nc(C(F)(F)F)cc(=O)[n-]2)c2ccc(F)cc2)cc1 ZINC000539958687 938981488 /nfs/dbraw/zinc/98/14/88/938981488.db2.gz RFQYMJYJGHYRQF-IBGZPJMESA-N -1 3 407.367 4.228 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCN(c4ccc(Cl)cc4)C3)cc2)cc(=O)[n-]1 ZINC000540663460 939333963 /nfs/dbraw/zinc/33/39/63/939333963.db2.gz BZDDREWKQUJUCO-SFHVURJKSA-N -1 3 423.904 4.211 20 0 HIADHM Cc1cccc2c1CC[C@@H]2NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000540951430 939419939 /nfs/dbraw/zinc/41/99/39/939419939.db2.gz GSDXPZVGKBITEX-ZEQRLZLVSA-N -1 3 414.505 4.366 20 0 HIADHM CCOC(=O)c1cc(NC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)[n-]n1 ZINC000540974935 939423079 /nfs/dbraw/zinc/42/30/79/939423079.db2.gz DORMCTFRHOFTNI-UHFFFAOYSA-N -1 3 414.465 4.291 20 0 HIADHM CCOC(=O)c1cc(NC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)n[n-]1 ZINC000540974935 939423081 /nfs/dbraw/zinc/42/30/81/939423081.db2.gz DORMCTFRHOFTNI-UHFFFAOYSA-N -1 3 414.465 4.291 20 0 HIADHM CCOC(=O)c1cc(NC(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)[n-]n1 ZINC000540975032 939423116 /nfs/dbraw/zinc/42/31/16/939423116.db2.gz NSPQFZLBLRHWHR-UHFFFAOYSA-N -1 3 405.410 4.261 20 0 HIADHM CCOC(=O)c1cc(NC(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)n[n-]1 ZINC000540975032 939423125 /nfs/dbraw/zinc/42/31/25/939423125.db2.gz NSPQFZLBLRHWHR-UHFFFAOYSA-N -1 3 405.410 4.261 20 0 HIADHM C[C@@H]1c2ccccc2CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000541240684 939487152 /nfs/dbraw/zinc/48/71/52/939487152.db2.gz RCHOUWFROLISPM-OAHLLOKOSA-N -1 3 410.470 4.344 20 0 HIADHM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000541304109 939490206 /nfs/dbraw/zinc/49/02/06/939490206.db2.gz OGWHOUZHUAXNAN-UHFFFAOYSA-N -1 3 412.458 4.116 20 0 HIADHM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000541498841 939536966 /nfs/dbraw/zinc/53/69/66/939536966.db2.gz VRKHNBVTILDZJZ-INIZCTEOSA-N -1 3 402.491 4.055 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000541694065 939607047 /nfs/dbraw/zinc/60/70/47/939607047.db2.gz GAGHOKXDUDHTQM-OAQYLSRUSA-N -1 3 417.465 4.233 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc2ccncc21 ZINC000541890050 939649366 /nfs/dbraw/zinc/64/93/66/939649366.db2.gz FKIKERGMLLQPIN-HSZRJFAPSA-N -1 3 411.461 4.440 20 0 HIADHM CC(C)(C)c1ccc(/C=C/C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001123372917 939823480 /nfs/dbraw/zinc/82/34/80/939823480.db2.gz ZBCWYKHJPIJHQS-UMEWRJQLSA-N -1 3 420.553 4.233 20 0 HIADHM CCc1cccc(C(=O)N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)c1[O-] ZINC000542783317 939860542 /nfs/dbraw/zinc/86/05/42/939860542.db2.gz RBDRFKLDWQZXAA-QFIPXVFZSA-N -1 3 419.525 4.030 20 0 HIADHM CSc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000542817021 939861443 /nfs/dbraw/zinc/86/14/43/939861443.db2.gz FDYPXPFNIQEEPM-IBGZPJMESA-N -1 3 407.495 4.009 20 0 HIADHM Cc1ccnc(OC2CCN(Cc3nc(=O)c4c(-c5ccco5)csc4[n-]3)CC2)c1 ZINC000542980657 939890964 /nfs/dbraw/zinc/89/09/64/939890964.db2.gz JVRWFTZVHLRDQX-UHFFFAOYSA-N -1 3 422.510 4.404 20 0 HIADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C3CCCCC3)C(F)(F)F)cc2)co1 ZINC000543167639 939983882 /nfs/dbraw/zinc/98/38/82/939983882.db2.gz RNVDFEQONBQLJA-KRWDZBQOSA-N -1 3 402.438 4.440 20 0 HIADHM COc1ccccc1CSc1ccccc1NC(=O)NCc1cnc(C)[n-]c1=O ZINC000543318242 940027510 /nfs/dbraw/zinc/02/75/10/940027510.db2.gz YSHGNYILYHZMSJ-UHFFFAOYSA-N -1 3 410.499 4.113 20 0 HIADHM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)c2C1 ZINC000543447629 940066496 /nfs/dbraw/zinc/06/64/96/940066496.db2.gz NJBSGHNAOSIKLR-MRXNPFEDSA-N -1 3 416.543 4.153 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2cccc3ccccc32)c1 ZINC000543521080 940095555 /nfs/dbraw/zinc/09/55/55/940095555.db2.gz WFRUDOFRDUIFBI-UHFFFAOYSA-N -1 3 401.422 4.024 20 0 HIADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(Cl)c1Cl ZINC000543687523 940160071 /nfs/dbraw/zinc/16/00/71/940160071.db2.gz LAEGRPHRPUUZDP-DZGCQCFKSA-N -1 3 404.290 4.331 20 0 HIADHM Cc1ncc(CNC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000544324400 940390900 /nfs/dbraw/zinc/39/09/00/940390900.db2.gz NZOWMOKVDNOJEV-UHFFFAOYSA-N -1 3 417.296 4.386 20 0 HIADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cnc(-c2ccsc2)s1 ZINC000544376303 940405915 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400.525 4.231 20 0 HIADHM O=C([O-])c1cc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000013272673 845912117 /nfs/dbraw/zinc/91/21/17/845912117.db2.gz BRZWVUZIRAUVDB-UHFFFAOYSA-N -1 3 423.391 4.024 20 0 HIADHM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000014867730 845987584 /nfs/dbraw/zinc/98/75/84/845987584.db2.gz BYYGKWMZHMCZSK-UHFFFAOYSA-N -1 3 409.573 4.114 20 0 HIADHM COc1cc(/C=C2\NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Cl)c1[O-] ZINC000015257395 846025239 /nfs/dbraw/zinc/02/52/39/846025239.db2.gz LRTVSPNVDIXEQC-SXGWCWSVSA-N -1 3 402.903 4.440 20 0 HIADHM O=S(=O)([N-]c1ccc(Br)cc1Br)c1ccccc1F ZINC000016130746 846127525 /nfs/dbraw/zinc/12/75/25/846127525.db2.gz CPJKEPDPJRURNA-UHFFFAOYSA-N -1 3 409.074 4.152 20 0 HIADHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3cccc4ccccc43)cs2)c(=O)[n-]1 ZINC000016444557 846171910 /nfs/dbraw/zinc/17/19/10/846171910.db2.gz ASPFCKYCJDSCGZ-UHFFFAOYSA-N -1 3 404.495 4.235 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2C)cc1 ZINC000016642332 846194019 /nfs/dbraw/zinc/19/40/19/846194019.db2.gz XFCSVNKKFOKOEG-INIZCTEOSA-N -1 3 416.543 4.067 20 0 HIADHM CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1C ZINC000017322629 846245282 /nfs/dbraw/zinc/24/52/82/846245282.db2.gz XBDUOTKLYZNAGM-UHFFFAOYSA-N -1 3 404.532 4.115 20 0 HIADHM C[C@H](Sc1nnnn1-c1ccccc1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000018321262 846319939 /nfs/dbraw/zinc/31/99/39/846319939.db2.gz PNWOASDLINHEBC-NSHDSACASA-N -1 3 422.495 4.074 20 0 HIADHM Cc1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000022743812 846613553 /nfs/dbraw/zinc/61/35/53/846613553.db2.gz CWRYVYPYIPTJQY-UHFFFAOYSA-N -1 3 402.422 4.326 20 0 HIADHM O=C([N-]NC(=O)c1cc(C2CC2)nc2ccccc21)c1ccc(Cl)cc1Cl ZINC000023795900 846750571 /nfs/dbraw/zinc/75/05/71/846750571.db2.gz SEPJWKYBFLMCIH-UHFFFAOYSA-N -1 3 400.265 4.494 20 0 HIADHM CCSc1nnc([N-]C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)s1 ZINC000024430897 846823056 /nfs/dbraw/zinc/82/30/56/846823056.db2.gz LXGAVHPKQDXOBA-UHFFFAOYSA-N -1 3 417.413 4.246 20 0 HIADHM Cc1ccc(-c2nnc3n2CCCCC3)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000024434401 846823186 /nfs/dbraw/zinc/82/31/86/846823186.db2.gz AEWWLIYZTVBLLW-UHFFFAOYSA-N -1 3 414.506 4.228 20 0 HIADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(F)c(C)c1 ZINC000024428214 846823446 /nfs/dbraw/zinc/82/34/46/846823446.db2.gz WURLVWNIPGIWKT-UHFFFAOYSA-N -1 3 422.703 4.037 20 0 HIADHM C[C@H](Sc1nncn1C1CC1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000025244342 846946458 /nfs/dbraw/zinc/94/64/58/846946458.db2.gz IGGLTOQIBAFDRY-VIFPVBQESA-N -1 3 401.542 4.493 20 0 HIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000026252348 847111896 /nfs/dbraw/zinc/11/18/96/847111896.db2.gz GUIGSYDZPGPREJ-UHFFFAOYSA-N -1 3 422.754 4.175 20 0 HIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000026252348 847111900 /nfs/dbraw/zinc/11/19/00/847111900.db2.gz GUIGSYDZPGPREJ-UHFFFAOYSA-N -1 3 422.754 4.175 20 0 HIADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000026540831 847166800 /nfs/dbraw/zinc/16/68/00/847166800.db2.gz NIPLKWNQINIBOK-UHFFFAOYSA-N -1 3 413.495 4.092 20 0 HIADHM O=S(=O)([N-][C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1F ZINC000026974363 847228911 /nfs/dbraw/zinc/22/89/11/847228911.db2.gz KBWOQXWDYYDAJK-SFHVURJKSA-N -1 3 419.909 4.080 20 0 HIADHM CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000027155238 847257712 /nfs/dbraw/zinc/25/77/12/847257712.db2.gz RNVGOGRVSCUDCH-SFHVURJKSA-N -1 3 400.544 4.366 20 0 HIADHM Cn1c2ccccc2c2cc(C(=O)N[N-]C(=O)c3ccc4ccccc4n3)sc21 ZINC000027684313 847337740 /nfs/dbraw/zinc/33/77/40/847337740.db2.gz YEOSHEFPIGGZLF-UHFFFAOYSA-N -1 3 400.463 4.016 20 0 HIADHM O=C(CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)Nc1cccc(F)c1 ZINC000028262001 847400640 /nfs/dbraw/zinc/40/06/40/847400640.db2.gz MRSNIMYEUDSXOH-UHFFFAOYSA-N -1 3 415.471 4.256 20 0 HIADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@@H]1CCCc2ccccc21 ZINC000029882949 847641157 /nfs/dbraw/zinc/64/11/57/847641157.db2.gz WAOMTTCWELMEGV-LJQANCHMSA-N -1 3 418.534 4.052 20 0 HIADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000030382064 847709747 /nfs/dbraw/zinc/70/97/47/847709747.db2.gz YWNYWODDVNTHHH-YWZLYKJASA-N -1 3 404.507 4.277 20 0 HIADHM CSc1ccccc1[C@@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436484541 861820796 /nfs/dbraw/zinc/82/07/96/861820796.db2.gz DTOAUHHQANVWJA-GFCCVEGCSA-N -1 3 411.483 4.154 20 0 HIADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)c(C)c1C ZINC000030530811 847729271 /nfs/dbraw/zinc/72/92/71/847729271.db2.gz SHNLWQRBDLMAIE-UHFFFAOYSA-N -1 3 400.544 4.266 20 0 HIADHM COC(=O)c1cc([N-]C(=O)c2ccc(COc3ccc(F)cc3)o2)c(F)cc1F ZINC000031027011 847810567 /nfs/dbraw/zinc/81/05/67/847810567.db2.gz JTHPUXQDVSXEOG-UHFFFAOYSA-N -1 3 405.328 4.315 20 0 HIADHM CCc1cc(O)ccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436522130 861833873 /nfs/dbraw/zinc/83/38/73/861833873.db2.gz JWWRPPVZMGRBQK-QFIPXVFZSA-N -1 3 404.466 4.160 20 0 HIADHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000436521604 861833951 /nfs/dbraw/zinc/83/39/51/861833951.db2.gz GCGAGKHSFBIRRB-QFIPXVFZSA-N -1 3 406.482 4.365 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1(c2ccccc2F)CC1 ZINC000436524092 861834059 /nfs/dbraw/zinc/83/40/59/861834059.db2.gz YESJTDSFENPXRO-QFIPXVFZSA-N -1 3 418.468 4.198 20 0 HIADHM Cc1ccc(C[C@H](C)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436524342 861834171 /nfs/dbraw/zinc/83/41/71/861834171.db2.gz GUAIWTWEOXUAJL-AOMKIAJQSA-N -1 3 422.550 4.371 20 0 HIADHM CC[C@@H](C)c1ccc([C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)c2cccs2)cc1 ZINC000031220569 847846699 /nfs/dbraw/zinc/84/66/99/847846699.db2.gz JMTJELJONGPPQX-JLCFBVMHSA-N -1 3 409.555 4.410 20 0 HIADHM Cc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1NC(=O)CN1CCCCC1 ZINC000436531266 861838109 /nfs/dbraw/zinc/83/81/09/861838109.db2.gz GNOXZHBKEPNBPM-UHFFFAOYSA-N -1 3 401.894 4.031 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4c(c3)CCO4)c2)cc1 ZINC000031344161 847866491 /nfs/dbraw/zinc/86/64/91/847866491.db2.gz MNRBWZHYMDZPKS-UHFFFAOYSA-N -1 3 422.506 4.291 20 0 HIADHM Cc1oc2ccc(NC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)cc2c1C ZINC000436531146 861838352 /nfs/dbraw/zinc/83/83/52/861838352.db2.gz VJGZZKBMLFAIGS-UHFFFAOYSA-N -1 3 407.470 4.182 20 0 HIADHM O=C([N-]NC(=S)Nc1cccc(Cl)c1)c1cc(Cl)ccc1Br ZINC000031492512 847895288 /nfs/dbraw/zinc/89/52/88/847895288.db2.gz BDNHRORCHZRZSX-UHFFFAOYSA-N -1 3 419.131 4.387 20 0 HIADHM O=C([N-]NC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1Br ZINC000031553511 847907491 /nfs/dbraw/zinc/90/74/91/847907491.db2.gz YHRXWUSNXLBLBI-UHFFFAOYSA-N -1 3 407.267 4.095 20 0 HIADHM CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436543009 861843235 /nfs/dbraw/zinc/84/32/35/861843235.db2.gz JPZAWYPMSAGSQP-UHFFFAOYSA-N -1 3 419.275 4.079 20 0 HIADHM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436550809 861847791 /nfs/dbraw/zinc/84/77/91/861847791.db2.gz VEYVIXXWOKAJRI-UHFFFAOYSA-N -1 3 417.527 4.071 20 0 HIADHM O=C(Nc1ccccc1CN1CCOCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436553394 861848788 /nfs/dbraw/zinc/84/87/88/861848788.db2.gz BTKYOLCGIPEVIU-UHFFFAOYSA-N -1 3 402.494 4.068 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc(OCCF)c1 ZINC000436557648 861850316 /nfs/dbraw/zinc/85/03/16/861850316.db2.gz SBSDYCRSSLRBRV-QFIPXVFZSA-N -1 3 422.456 4.240 20 0 HIADHM O=C(Nc1ccccc1N1CCC(O)CC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436561736 861852695 /nfs/dbraw/zinc/85/26/95/861852695.db2.gz HNFMPQMCPCTDDX-UHFFFAOYSA-N -1 3 418.493 4.185 20 0 HIADHM O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000032271304 847996611 /nfs/dbraw/zinc/99/66/11/847996611.db2.gz MNMWJMHZMKEFNA-UHFFFAOYSA-N -1 3 405.341 4.060 20 0 HIADHM O=C(Nc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1)c1cccs1 ZINC000032271507 847996787 /nfs/dbraw/zinc/99/67/87/847996787.db2.gz JETYVNABUGRHPA-UHFFFAOYSA-N -1 3 408.395 4.004 20 0 HIADHM COc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c(OC)c1OC ZINC000436563312 861853522 /nfs/dbraw/zinc/85/35/22/861853522.db2.gz CRVKZNFGRMXELO-UHFFFAOYSA-N -1 3 409.438 4.249 20 0 HIADHM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436577953 861857717 /nfs/dbraw/zinc/85/77/17/861857717.db2.gz WGEQIHVHFNFYCP-KRWDZBQOSA-N -1 3 423.513 4.372 20 0 HIADHM Cc1cccc(C(=O)Nc2ccccc2CN(C)C(=O)c2cccc(C)c2O)c1[O-] ZINC000436578586 861858951 /nfs/dbraw/zinc/85/89/51/861858951.db2.gz AIGCIXNJPNDZJJ-UHFFFAOYSA-N -1 3 404.466 4.239 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H](OCc2ccccn2)C1 ZINC000436582785 861859580 /nfs/dbraw/zinc/85/95/80/861859580.db2.gz BUXYZGBIIUZELX-JOCHJYFZSA-N -1 3 402.494 4.004 20 0 HIADHM O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436595243 861863139 /nfs/dbraw/zinc/86/31/39/861863139.db2.gz LOMIEMTZDLHPLQ-QHCPKHFHSA-N -1 3 416.477 4.353 20 0 HIADHM O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000436600019 861863898 /nfs/dbraw/zinc/86/38/98/861863898.db2.gz GMKMSFFCGWTURT-INIZCTEOSA-N -1 3 409.269 4.038 20 0 HIADHM Cc1cc2nnc(S[C@H](C)c3nc(=O)c4c(-c5ccco5)csc4[n-]3)n2c(C)n1 ZINC000033031422 848101599 /nfs/dbraw/zinc/10/15/99/848101599.db2.gz AXACSQIQZSHTJZ-SNVBAGLBSA-N -1 3 424.511 4.152 20 0 HIADHM COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc(O)cc3[O-])CC2)n1 ZINC000436603630 861866118 /nfs/dbraw/zinc/86/61/18/861866118.db2.gz MHTKTHSCRHSPFH-UHFFFAOYSA-N -1 3 410.495 4.250 20 0 HIADHM CCN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccc(OC)c1 ZINC000436615045 861871187 /nfs/dbraw/zinc/87/11/87/861871187.db2.gz CQAFMOWSCGZAFG-QHCPKHFHSA-N -1 3 418.493 4.315 20 0 HIADHM O=C(CCCNC(=O)c1ccco1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436605571 861866474 /nfs/dbraw/zinc/86/64/74/861866474.db2.gz PCXUNQKASVDSFM-UHFFFAOYSA-N -1 3 421.478 4.411 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCC[C@@H](C)C3)ccc2C)cc1 ZINC000033181614 848120775 /nfs/dbraw/zinc/12/07/75/848120775.db2.gz SHQABXVILAEGRE-BEFAXECRSA-N -1 3 416.543 4.113 20 0 HIADHM CCOC(=O)C(=Cc1ccc(OC(F)F)cc1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000033751366 848139250 /nfs/dbraw/zinc/13/92/50/848139250.db2.gz MTMNBAMMQAKFQG-ZROIWOOFSA-N -1 3 420.437 4.307 20 0 HIADHM Cc1ccc(C(=O)NCCc2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)c([O-])c1 ZINC000436616999 861872074 /nfs/dbraw/zinc/87/20/74/861872074.db2.gz LRVLPJGYCJCEBX-QGZVFWFLSA-N -1 3 423.366 4.134 20 0 HIADHM O=C(c1ccc(O)cc1[O-])N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000436623056 861873314 /nfs/dbraw/zinc/87/33/14/861873314.db2.gz FQTZURWGIVJVHK-QHCPKHFHSA-N -1 3 422.912 4.299 20 0 HIADHM Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000038680949 848179390 /nfs/dbraw/zinc/17/93/90/848179390.db2.gz BMLMQLWJAYERCL-UHFFFAOYSA-N -1 3 406.471 4.400 20 0 HIADHM Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000038680949 848179394 /nfs/dbraw/zinc/17/93/94/848179394.db2.gz BMLMQLWJAYERCL-UHFFFAOYSA-N -1 3 406.471 4.400 20 0 HIADHM COCc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436626871 861874577 /nfs/dbraw/zinc/87/45/77/861874577.db2.gz SOHJFKULAFNMGU-JOCHJYFZSA-N -1 3 404.466 4.039 20 0 HIADHM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])n2)c(C)c1 ZINC000436630599 861875021 /nfs/dbraw/zinc/87/50/21/861875021.db2.gz OOKWWKNGCVRCJN-IBGZPJMESA-N -1 3 421.522 4.376 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC=C(c2ccccc2)C1 ZINC000436631317 861876056 /nfs/dbraw/zinc/87/60/56/861876056.db2.gz ROCHGDFOKZHPID-XMMPIXPASA-N -1 3 412.489 4.179 20 0 HIADHM Cc1ccc(C(=O)NCCC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c([O-])c1 ZINC000436632592 861876094 /nfs/dbraw/zinc/87/60/94/861876094.db2.gz DMYIJQMECRPZPC-OAQYLSRUSA-N -1 3 405.498 4.056 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)[C@H](C)c3ccccc3)cs2)c1 ZINC000436639671 861878765 /nfs/dbraw/zinc/87/87/65/861878765.db2.gz QDBCMNPAXJXDRV-HOTGVXAUSA-N -1 3 423.538 4.260 20 0 HIADHM CCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)c1ccc(F)cc1 ZINC000436633438 861876589 /nfs/dbraw/zinc/87/65/89/861876589.db2.gz BHHWRQNGXYDKSW-UHFFFAOYSA-N -1 3 413.474 4.144 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000436651693 861881816 /nfs/dbraw/zinc/88/18/16/861881816.db2.gz HBFIZIQQRDCBJV-MHZLTWQESA-N -1 3 415.533 4.440 20 0 HIADHM COc1cc(-c2nc3cc(Br)ccc3n2C)cc(Br)c1[O-] ZINC000436659215 861884778 /nfs/dbraw/zinc/88/47/78/861884778.db2.gz YBAUQPRQGJJVFC-UHFFFAOYSA-N -1 3 412.081 4.480 20 0 HIADHM Cc1nc(-c2cccc(-c3noc(CCNC(=O)c4ccc(C)cc4[O-])n3)c2)cs1 ZINC000436687121 861894068 /nfs/dbraw/zinc/89/40/68/861894068.db2.gz HFYRULFIPYHHDL-UHFFFAOYSA-N -1 3 420.494 4.155 20 0 HIADHM COc1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)cc(OC)c1[O-] ZINC000436691610 861895084 /nfs/dbraw/zinc/89/50/84/861895084.db2.gz UAPLUNZZVASRDY-UHFFFAOYSA-N -1 3 405.410 4.100 20 0 HIADHM COc1cc(-c2nc(Cc3nc4cc(Cl)ccc4s3)no2)cc(OC)c1[O-] ZINC000436690267 861895142 /nfs/dbraw/zinc/89/51/42/861895142.db2.gz PQIMAVNAQDSVEA-UHFFFAOYSA-N -1 3 403.847 4.313 20 0 HIADHM CC(C)[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NCc1ccco1 ZINC000042942169 848367590 /nfs/dbraw/zinc/36/75/90/848367590.db2.gz COMXJHMPSRSURH-HNNXBMFYSA-N -1 3 406.508 4.447 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2Cc3cc(C)ccc3CC2(C)C)c1 ZINC000436698497 861896562 /nfs/dbraw/zinc/89/65/62/861896562.db2.gz OJNLSOHDWOQGAF-UHFFFAOYSA-N -1 3 419.481 4.226 20 0 HIADHM CC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1cc(F)cc(Br)c1 ZINC000436705841 861897803 /nfs/dbraw/zinc/89/78/03/861897803.db2.gz LDBOPPRRKBFTBC-MRXNPFEDSA-N -1 3 409.255 4.133 20 0 HIADHM Cc1csc(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])c2)n1 ZINC000436722568 861909268 /nfs/dbraw/zinc/90/92/68/861909268.db2.gz MIPZLXXVKWZQFB-SFHVURJKSA-N -1 3 407.495 4.067 20 0 HIADHM O=C(Nc1ccc(CN(C(=O)c2ccccc2O)C2CC2)cc1)c1ccccc1[O-] ZINC000436720684 861908450 /nfs/dbraw/zinc/90/84/50/861908450.db2.gz URJCDOMMKHENKX-UHFFFAOYSA-N -1 3 402.450 4.155 20 0 HIADHM O=C(Nc1nnc(C2CCOCC2)s1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436724959 861910247 /nfs/dbraw/zinc/91/02/47/861910247.db2.gz TUOQOOHFERNPAK-UHFFFAOYSA-N -1 3 409.511 4.175 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc3ccccc3c2)c1 ZINC000436727862 861914963 /nfs/dbraw/zinc/91/49/63/861914963.db2.gz DOCKXXKQJGEMAE-UHFFFAOYSA-N -1 3 415.449 4.366 20 0 HIADHM [O-]c1ccccc1-c1nc(CSc2nnc(-c3ccco3)n2Cc2ccco2)no1 ZINC000436731227 861917617 /nfs/dbraw/zinc/91/76/17/861917617.db2.gz BKMQLYVYIDGBKG-UHFFFAOYSA-N -1 3 421.438 4.227 20 0 HIADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436730790 861917769 /nfs/dbraw/zinc/91/77/69/861917769.db2.gz YEQXEWCLHQTCLB-ROUUACIJSA-N -1 3 406.526 4.103 20 0 HIADHM CCCc1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2[O-])c2cccs2)cc1 ZINC000045124253 848636281 /nfs/dbraw/zinc/63/62/81/848636281.db2.gz KSMBCGVYHGBUIR-HXUWFJFHSA-N -1 3 409.511 4.140 20 0 HIADHM O=C(Nc1ccccc1-c1cccs1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436746186 861927228 /nfs/dbraw/zinc/92/72/28/861927228.db2.gz GGSXFIDKVRKVBI-UHFFFAOYSA-N -1 3 407.495 4.111 20 0 HIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000045341906 848666706 /nfs/dbraw/zinc/66/67/06/848666706.db2.gz YLISAZHGYMMHLM-UHFFFAOYSA-N -1 3 413.480 4.180 20 0 HIADHM Cc1cccn(Cc2c(F)cccc2NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1=O ZINC000436748942 861929921 /nfs/dbraw/zinc/92/99/21/861929921.db2.gz WKZAWIRTVIPNLK-UHFFFAOYSA-N -1 3 422.456 4.016 20 0 HIADHM COc1ccc(NC(C)=O)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436756290 861941798 /nfs/dbraw/zinc/94/17/98/861941798.db2.gz PNJHMODVGJURGT-UHFFFAOYSA-N -1 3 406.438 4.191 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4ccc(F)cc4nc3C)c2)n1 ZINC000046066660 848779941 /nfs/dbraw/zinc/77/99/41/848779941.db2.gz SZBNUWPHDOOLMH-UHFFFAOYSA-N -1 3 402.429 4.247 20 0 HIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1F ZINC000046115199 848785938 /nfs/dbraw/zinc/78/59/38/848785938.db2.gz KTIGZIWSMLJQEE-UHFFFAOYSA-N -1 3 405.278 4.072 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)cc1 ZINC000046462755 848854527 /nfs/dbraw/zinc/85/45/27/848854527.db2.gz RQZPADKLHSZVFD-QGZVFWFLSA-N -1 3 410.495 4.202 20 0 HIADHM Cc1cc2occ(CC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)c2cc1C(C)C ZINC000436764723 861954971 /nfs/dbraw/zinc/95/49/71/861954971.db2.gz UAAJDEJRGYEBSB-UHFFFAOYSA-N -1 3 420.509 4.097 20 0 HIADHM Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436774407 861967393 /nfs/dbraw/zinc/96/73/93/861967393.db2.gz WJEAJCDYHQCZKH-AWEZNQCLSA-N -1 3 404.495 4.461 20 0 HIADHM Cc1ccc(C)c(OCc2nnc(SCc3noc(-c4ccccc4[O-])n3)o2)c1 ZINC000436777806 861969011 /nfs/dbraw/zinc/96/90/11/861969011.db2.gz OLBGHAJIIWOTOG-UHFFFAOYSA-N -1 3 410.455 4.313 20 0 HIADHM CC(=O)c1ccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000047320077 849025372 /nfs/dbraw/zinc/02/53/72/849025372.db2.gz DMFCBQBJWKLEQI-UHFFFAOYSA-N -1 3 415.877 4.131 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000436782082 861972826 /nfs/dbraw/zinc/97/28/26/861972826.db2.gz GVEZNXLGOHROGW-UHFFFAOYSA-N -1 3 423.900 4.075 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccnc3)ccc2C)c(C)c1 ZINC000047465219 849052134 /nfs/dbraw/zinc/05/21/34/849052134.db2.gz IUFAFEYYSCZAIB-UHFFFAOYSA-N -1 3 409.511 4.368 20 0 HIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(Cl)c(Cl)n3C)nc(=O)c2c1C ZINC000047710611 849094966 /nfs/dbraw/zinc/09/49/66/849094966.db2.gz PCKDLIGKYJFWRM-SSDOTTSWSA-N -1 3 400.287 4.165 20 0 HIADHM O=C(CCCCCc1ccc(F)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436790374 861983770 /nfs/dbraw/zinc/98/37/70/861983770.db2.gz HFSNFYLQMHEKMU-UHFFFAOYSA-N -1 3 412.505 4.055 20 0 HIADHM O=c1[n-]c(SCc2csc(Br)c2)nc2c1cnn2-c1ccccc1 ZINC000047971883 849145931 /nfs/dbraw/zinc/14/59/31/849145931.db2.gz ZFYCKKUSXGWPOL-UHFFFAOYSA-N -1 3 419.329 4.225 20 0 HIADHM O=C(Nc1ccc(OC2CCCCC2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436814514 861998709 /nfs/dbraw/zinc/99/87/09/861998709.db2.gz RSNPVSPNMCSDPI-UHFFFAOYSA-N -1 3 423.513 4.094 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3csc(-c4cccs4)n3)c2)n1 ZINC000049302490 849301910 /nfs/dbraw/zinc/30/19/10/849301910.db2.gz BZLYUFLNMAENRV-UHFFFAOYSA-N -1 3 408.508 4.437 20 0 HIADHM C[C@@H](CCCC(F)(F)F)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436819292 862002306 /nfs/dbraw/zinc/00/23/06/862002306.db2.gz DFQNCESTELGTMX-KXBFYZLASA-N -1 3 422.447 4.491 20 0 HIADHM COc1cc2c(cc1NC(=O)c1cc(CCc3ccccc3)ccc1[O-])NC(=O)CC2 ZINC000436819439 862003537 /nfs/dbraw/zinc/00/35/37/862003537.db2.gz NMEJAAXLUGPQKE-UHFFFAOYSA-N -1 3 416.477 4.323 20 0 HIADHM CCc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c([O-])c1 ZINC000436840633 862020173 /nfs/dbraw/zinc/02/01/73/862020173.db2.gz SKPFGNWOTAZHPA-GOSISDBHSA-N -1 3 408.267 4.070 20 0 HIADHM Cc1cnn(-c2ccc(C(=O)O[C@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)cc2)c1 ZINC000051694684 849505202 /nfs/dbraw/zinc/50/52/02/849505202.db2.gz FCWQIQVRWIYVQT-CYBMUJFWSA-N -1 3 408.483 4.014 20 0 HIADHM NC(=O)c1ccc(CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C2CC2)c(F)c1 ZINC000436848896 862025598 /nfs/dbraw/zinc/02/55/98/862025598.db2.gz XFGYIMQDSZKJKE-UHFFFAOYSA-N -1 3 418.468 4.026 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(OC2CCCCC2)cc1 ZINC000436865425 862044364 /nfs/dbraw/zinc/04/43/64/862044364.db2.gz TYUMTAIFKGGTSP-UHFFFAOYSA-N -1 3 422.525 4.138 20 0 HIADHM CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc4c(cc3[O-])OCO4)CC2)cc1 ZINC000053233042 849682659 /nfs/dbraw/zinc/68/26/59/849682659.db2.gz CVDYEFVEIKNURD-UHFFFAOYSA-N -1 3 409.482 4.055 20 0 HIADHM COc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc(Br)c1O ZINC000436884819 862061501 /nfs/dbraw/zinc/06/15/01/862061501.db2.gz DOJZGZCHSZCIAE-GDNBJRDFSA-N -1 3 413.271 4.030 20 0 HIADHM O=C(NN=c1[n-]c(Cl)c(Cl)cc1Cl)NC1CCN(c2ccccc2)CC1 ZINC000054679769 849906912 /nfs/dbraw/zinc/90/69/12/849906912.db2.gz VUACXIABYWNOIF-UHFFFAOYSA-N -1 3 414.724 4.337 20 0 HIADHM O=C(Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1)Nc1ccc(F)cc1 ZINC000436894852 862069501 /nfs/dbraw/zinc/06/95/01/862069501.db2.gz UXSCLQJFQAIMRV-UHFFFAOYSA-N -1 3 419.412 4.342 20 0 HIADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000054708009 849911130 /nfs/dbraw/zinc/91/11/30/849911130.db2.gz GHHNHZXCWYHAHI-UHFFFAOYSA-N -1 3 417.853 4.396 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2ccc3ccccc3c2)cc1OC ZINC000054984335 849953401 /nfs/dbraw/zinc/95/34/01/849953401.db2.gz ZCQPURHZCJFACE-UHFFFAOYSA-N -1 3 415.540 4.419 20 0 HIADHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1nc(-c2ccccc2)no1 ZINC000055396727 850012989 /nfs/dbraw/zinc/01/29/89/850012989.db2.gz QPOYGHMUSZYZRF-CYBMUJFWSA-N -1 3 416.466 4.424 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCSc1ccccc1 ZINC000436903654 862080581 /nfs/dbraw/zinc/08/05/81/862080581.db2.gz NODFIDGDOHIDMO-QFIPXVFZSA-N -1 3 420.534 4.162 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(OC(C)C)c(Cl)c3)c2)n1 ZINC000055408122 850015585 /nfs/dbraw/zinc/01/55/85/850015585.db2.gz GYKMHFNPNSNFLN-UHFFFAOYSA-N -1 3 412.877 4.087 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Cl)cc4cccnc43)c2)n1 ZINC000055408174 850015608 /nfs/dbraw/zinc/01/56/08/850015608.db2.gz UYBLNZROVPMZMY-UHFFFAOYSA-N -1 3 404.857 4.453 20 0 HIADHM Cc1ccc(-c2csc3[n-]c(CC(=O)N[C@H]4CCCC[C@H]4C)nc(=O)c23)s1 ZINC000055491065 850039011 /nfs/dbraw/zinc/03/90/11/850039011.db2.gz AAHABONAFWXACX-RISCZKNCSA-N -1 3 401.557 4.259 20 0 HIADHM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000055612639 850077891 /nfs/dbraw/zinc/07/78/91/850077891.db2.gz BZKWWQOZMOQQCA-UHFFFAOYSA-N -1 3 416.543 4.113 20 0 HIADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1csc(-c2cccs2)n1 ZINC000436911999 862088434 /nfs/dbraw/zinc/08/84/34/862088434.db2.gz BVFUPSSLHXKGDV-UHFFFAOYSA-N -1 3 403.876 4.268 20 0 HIADHM COc1cccc([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436913329 862090679 /nfs/dbraw/zinc/09/06/79/862090679.db2.gz JCNZYQPYFMVJPD-HXOBKFHXSA-N -1 3 418.493 4.139 20 0 HIADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436914862 862093360 /nfs/dbraw/zinc/09/33/60/862093360.db2.gz NHGRJOMFNKYFDC-ZEQRLZLVSA-N -1 3 414.505 4.366 20 0 HIADHM COc1ccc([C@H](C)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436914083 862093800 /nfs/dbraw/zinc/09/38/00/862093800.db2.gz KIIMOASMEYVOKA-SBUREZEXSA-N -1 3 418.493 4.139 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000436915092 862096721 /nfs/dbraw/zinc/09/67/21/862096721.db2.gz OSPQLZOZODKWEW-GOSISDBHSA-N -1 3 410.857 4.251 20 0 HIADHM O=C(Nc1ccccc1-c1ccccc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436918598 862098742 /nfs/dbraw/zinc/09/87/42/862098742.db2.gz JCXLBYBKAUXNDI-UHFFFAOYSA-N -1 3 415.493 4.486 20 0 HIADHM CCCO[C@@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436928049 862108154 /nfs/dbraw/zinc/10/81/54/862108154.db2.gz RFACRDUCIOFVKY-PKTZIBPZSA-N -1 3 424.541 4.061 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000436932193 862109919 /nfs/dbraw/zinc/10/99/19/862109919.db2.gz MRCWSVIMIQGTTG-UHFFFAOYSA-N -1 3 419.496 4.332 20 0 HIADHM O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436950291 862129008 /nfs/dbraw/zinc/12/90/08/862129008.db2.gz BSXFZRPQBLRIQC-DLBZAZTESA-N -1 3 419.308 4.107 20 0 HIADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)N[N-]C(=O)c1ccccc1Br ZINC000056906647 850514675 /nfs/dbraw/zinc/51/46/75/850514675.db2.gz CCUANWIDBXHLPD-LBPRGKRZSA-N -1 3 416.275 4.209 20 0 HIADHM Cc1ccc(C(C)(C)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000436962368 862144085 /nfs/dbraw/zinc/14/40/85/862144085.db2.gz WVNAUNJKCDCVIU-QFIPXVFZSA-N -1 3 417.509 4.008 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)c1 ZINC000436966845 862146117 /nfs/dbraw/zinc/14/61/17/862146117.db2.gz RAJVVISWENLTHT-CRAIPNDOSA-N -1 3 419.481 4.034 20 0 HIADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436988477 862164120 /nfs/dbraw/zinc/16/41/20/862164120.db2.gz KCWMKAXSMARFEQ-CCKFTAQKSA-N -1 3 420.431 4.053 20 0 HIADHM 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CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2occc2CSc2ccccc2)c1 ZINC000247545144 854159091 /nfs/dbraw/zinc/15/90/91/854159091.db2.gz UEUVDAIDFVRHFM-UHFFFAOYSA-N -1 3 405.472 4.367 20 0 HIADHM Cc1cc(NC(=O)CS[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)no1 ZINC000253598122 854208178 /nfs/dbraw/zinc/20/81/78/854208178.db2.gz BZTBSXMIWHMRAH-JTQLQIEISA-N -1 3 416.484 4.386 20 0 HIADHM O=S(=O)([N-]C1CCC2(CCOCC2)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000437293919 862550018 /nfs/dbraw/zinc/55/00/18/862550018.db2.gz MCCUDEKHGHPUHB-UHFFFAOYSA-N -1 3 411.873 4.377 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(c4ccccc4C)CCOCC3)nc2)n1 ZINC000301166555 854317779 /nfs/dbraw/zinc/31/77/79/854317779.db2.gz HZEHDAVQRWGYHJ-UHFFFAOYSA-N -1 3 404.514 4.275 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCN(c4ccccc4Cl)C3=O)nc2)n1 ZINC000301326616 854359729 /nfs/dbraw/zinc/35/97/29/854359729.db2.gz BCHRFDJFQGYHGL-KRWDZBQOSA-N -1 3 423.904 4.068 20 0 HIADHM Cc1ccc(-n2cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c(-c3ccccc3)n2)cc1 ZINC000302220121 854552828 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CO[C@@H]1CCOc2c(NC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)cccc21 ZINC000447897944 871808227 /nfs/dbraw/zinc/80/82/27/871808227.db2.gz QINCICGSDDVNMC-LJQANCHMSA-N -1 3 406.442 4.272 20 0 HIADHM Cc1c(C(=O)[N-]c2nnc(SCc3cccs3)s2)nnn1CC1CCCC1 ZINC000448034915 871869403 /nfs/dbraw/zinc/86/94/03/871869403.db2.gz MJPOWRZRSBVDMX-UHFFFAOYSA-N -1 3 420.589 4.234 20 0 HIADHM CSc1ccc(-c2nsc([N-]C(=O)c3nnn(CC4CCCC4)c3C)n2)cc1 ZINC000448312011 872246118 /nfs/dbraw/zinc/24/61/18/872246118.db2.gz RSYNJIMOXRPJCW-UHFFFAOYSA-N -1 3 414.560 4.269 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2cccc(Cl)c2F)no1 ZINC000460536414 873234212 /nfs/dbraw/zinc/23/42/12/873234212.db2.gz WQDZAGBPEJABTP-SECBINFHSA-N -1 3 416.261 4.222 20 0 HIADHM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000460695664 873461979 /nfs/dbraw/zinc/46/19/79/873461979.db2.gz RYOAGNXMKHNYFF-UHFFFAOYSA-N -1 3 412.881 4.147 20 0 HIADHM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000460695664 873461990 /nfs/dbraw/zinc/46/19/90/873461990.db2.gz RYOAGNXMKHNYFF-UHFFFAOYSA-N -1 3 412.881 4.147 20 0 HIADHM CCc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)s1 ZINC000460892322 873803245 /nfs/dbraw/zinc/80/32/45/873803245.db2.gz FEIOLENJOSDWKE-INIZCTEOSA-N -1 3 407.948 4.016 20 0 HIADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)s1 ZINC000460949847 873848776 /nfs/dbraw/zinc/84/87/76/873848776.db2.gz MWRHXLNACWUQHF-LBPRGKRZSA-N -1 3 423.585 4.186 20 0 HIADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460972384 873867702 /nfs/dbraw/zinc/86/77/02/873867702.db2.gz XNHWRUBKAIFFJM-HXUWFJFHSA-N -1 3 414.502 4.031 20 0 HIADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000461197835 874198678 /nfs/dbraw/zinc/19/86/78/874198678.db2.gz ZYIOFRVVQTYUDX-QGZVFWFLSA-N -1 3 421.722 4.349 20 0 HIADHM COc1cc(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc(OC)c1[O-] ZINC000468729801 882831904 /nfs/dbraw/zinc/83/19/04/882831904.db2.gz SFLQFEINAQEQNU-OAHLLOKOSA-N -1 3 424.522 4.068 20 0 HIADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000461434433 874484341 /nfs/dbraw/zinc/48/43/41/874484341.db2.gz YWTPPMCKRCTFGY-UHFFFAOYSA-N -1 3 409.376 4.352 20 0 HIADHM O=C(Nc1cc(C2CC2)ccn1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000461434951 874486207 /nfs/dbraw/zinc/48/62/07/874486207.db2.gz UMZYDKHPHBYTNS-UHFFFAOYSA-N -1 3 411.458 4.151 20 0 HIADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cncnc3)c2)cc1 ZINC000468735358 882835145 /nfs/dbraw/zinc/83/51/45/882835145.db2.gz SRAFPFNAPIMPLA-UHFFFAOYSA-N -1 3 424.526 4.181 20 0 HIADHM Cn1c2cc([O-])c(NC(=O)CCCCc3ccc(Cl)c(Cl)c3)cc2n(C)c1=O ZINC000461613291 874757441 /nfs/dbraw/zinc/75/74/41/874757441.db2.gz KUWDIAHKHVTLAM-UHFFFAOYSA-N -1 3 422.312 4.241 20 0 HIADHM Cc1cccc(F)c1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000461915449 875056968 /nfs/dbraw/zinc/05/69/68/875056968.db2.gz GRYRSUQVPKTRMH-UHFFFAOYSA-N -1 3 405.857 4.376 20 0 HIADHM CN(Cc1ccccc1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000468857183 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Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)s1 ZINC000462289672 875413199 /nfs/dbraw/zinc/41/31/99/875413199.db2.gz ZFJTZSFAMQPVJO-UHFFFAOYSA-N -1 3 409.396 4.052 20 0 HIADHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2sc(C)cc2Br)cc1 ZINC000462293529 875416472 /nfs/dbraw/zinc/41/64/72/875416472.db2.gz DHUKHDOCWJOADC-LLVKDONJSA-N -1 3 418.378 4.300 20 0 HIADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1nc(C)cs1 ZINC000462325993 875444268 /nfs/dbraw/zinc/44/42/68/875444268.db2.gz IYLSVEPVGMBGLH-HNNXBMFYSA-N -1 3 409.360 4.371 20 0 HIADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000462337772 875452566 /nfs/dbraw/zinc/45/25/66/875452566.db2.gz DQLVHWWJOGKQJX-VHSXEESVSA-N -1 3 413.175 4.233 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000468890576 882932731 /nfs/dbraw/zinc/93/27/31/882932731.db2.gz JEZBWCOAMZYFTD-JOCHJYFZSA-N -1 3 420.484 4.220 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)C(C)C)c(Br)c1 ZINC000462349000 875463769 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404.514 4.274 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3c(F)ccc(F)c3F)cc2)cc1 ZINC000463231430 876286954 /nfs/dbraw/zinc/28/69/54/876286954.db2.gz NBBWLHCPLXJMBX-UHFFFAOYSA-N -1 3 420.412 4.465 20 0 HIADHM CC[C@@H](c1nnc([N-]C(=O)c2cn(Cc3cccs3)nn2)s1)c1ccccc1 ZINC000463778057 876898098 /nfs/dbraw/zinc/89/80/98/876898098.db2.gz LXYZGFVOXODGLQ-OAHLLOKOSA-N -1 3 410.528 4.034 20 0 HIADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1Cl ZINC000464185812 877357225 /nfs/dbraw/zinc/35/72/25/877357225.db2.gz HTWYDBJDPBXOAG-UHFFFAOYSA-N -1 3 412.216 4.173 20 0 HIADHM Cc1c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)nnn1-c1ccc(C)cc1 ZINC000464354494 877547749 /nfs/dbraw/zinc/54/77/49/877547749.db2.gz PVXKIWCFTZRKQD-UHFFFAOYSA-N -1 3 424.917 4.232 20 0 HIADHM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c(C)c1O ZINC000503331059 912310034 /nfs/dbraw/zinc/31/00/34/912310034.db2.gz ITEXIIPSBDBQBJ-UHFFFAOYSA-N -1 3 414.458 4.201 20 0 HIADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)cc(Cl)c1 ZINC000464981652 878327204 /nfs/dbraw/zinc/32/72/04/878327204.db2.gz OUOWVWWFAGLCFB-UHFFFAOYSA-N -1 3 410.776 4.122 20 0 HIADHM COc1ccc(Br)c([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000503433826 912438354 /nfs/dbraw/zinc/43/83/54/912438354.db2.gz TVNDQNKAOVBDRI-UHFFFAOYSA-N -1 3 407.289 4.115 20 0 HIADHM O=S(=O)([N-]CC1CCC(C(F)(F)F)CC1)c1cc(Br)ccc1F ZINC000466933702 880702921 /nfs/dbraw/zinc/70/29/21/880702921.db2.gz KZTXQHNUNDUDEQ-UHFFFAOYSA-N -1 3 418.250 4.235 20 0 HIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Br)c2)cc1 ZINC000466958881 880742797 /nfs/dbraw/zinc/74/27/97/880742797.db2.gz YYYSXOHLKVHCCV-UHFFFAOYSA-N -1 3 415.378 4.033 20 0 HIADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 ZINC000467089325 880855827 /nfs/dbraw/zinc/85/58/27/880855827.db2.gz JKWSPJMSEVRHRN-FQEVSTJZSA-N -1 3 416.543 4.293 20 0 HIADHM O=c1[n-]c(CN2CCOc3ccc(Br)cc32)nc2c3ccccc3oc21 ZINC000467150395 880887650 /nfs/dbraw/zinc/88/76/50/880887650.db2.gz VSXGZZGGCBKHMK-UHFFFAOYSA-N -1 3 412.243 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883971994 /nfs/dbraw/zinc/97/19/94/883971994.db2.gz UDEAYHJPAKPBMS-UHFFFAOYSA-N -1 3 401.478 4.070 20 0 HIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3scc(-c4cccs4)c3c(=O)n2C)n1 ZINC000469807651 883981268 /nfs/dbraw/zinc/98/12/68/883981268.db2.gz OJQDZCQDLBYCNV-JTQLQIEISA-N -1 3 416.553 4.381 20 0 HIADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)n1 ZINC000469806892 883981507 /nfs/dbraw/zinc/98/15/07/883981507.db2.gz MDLSXLWUTKCQDR-CYBMUJFWSA-N -1 3 416.938 4.178 20 0 HIADHM Cc1nc([C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2ccc(Cl)cc2)no1 ZINC000469814753 883992237 /nfs/dbraw/zinc/99/22/37/883992237.db2.gz WGTIFAAWBXWVDC-IBGZPJMESA-N -1 3 403.841 4.105 20 0 HIADHM O=C(NCc1ncccc1[O-])Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000469922886 884115151 /nfs/dbraw/zinc/11/51/51/884115151.db2.gz HFDMLHJAROSFSY-UHFFFAOYSA-N -1 3 410.179 4.357 20 0 HIADHM Cc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000470221408 884550055 /nfs/dbraw/zinc/55/00/55/884550055.db2.gz BLGBOISCVWGIPO-UHFFFAOYSA-N -1 3 402.376 4.061 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1-n1cccn1 ZINC000470630162 885056133 /nfs/dbraw/zinc/05/61/33/885056133.db2.gz YBPMKXFQDFSQCZ-SNVBAGLBSA-N -1 3 402.328 4.280 20 0 HIADHM C[C@H](CN(C)C(=O)c1cc(=O)c2ccccc2[n-]1)Oc1ccc(Cl)c(Cl)c1 ZINC000470722022 885166400 /nfs/dbraw/zinc/16/64/00/885166400.db2.gz FGGQDUTVSCDCGR-GFCCVEGCSA-N -1 3 405.281 4.374 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nnc(C4CC4)s3)nc(=O)c2c1C ZINC000470855082 885350611 /nfs/dbraw/zinc/35/06/11/885350611.db2.gz PUKXVVGXXUEDRV-QMMMGPOBSA-N -1 3 422.557 4.052 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCC(CCC(C)C)CC3)c2)n1 ZINC000470984546 885484742 /nfs/dbraw/zinc/48/47/42/885484742.db2.gz IZIXNZSCANFFBB-UHFFFAOYSA-N -1 3 424.545 4.025 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C(C)(C)C(F)F)ccc2C)cc1 ZINC000471562679 886271324 /nfs/dbraw/zinc/27/13/24/886271324.db2.gz JOMCIJXKKAKGOU-UHFFFAOYSA-N -1 3 412.458 4.034 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)CC3(C)C)ccc2C)cc1 ZINC000471719938 886432228 /nfs/dbraw/zinc/43/22/28/886432228.db2.gz DNGJXBWNVAIQEK-OAHLLOKOSA-N -1 3 416.543 4.065 20 0 HIADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000471961471 886783363 /nfs/dbraw/zinc/78/33/63/886783363.db2.gz SGTPSOJFWBTWNC-UHFFFAOYSA-N -1 3 409.870 4.500 20 0 HIADHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc([O-])c3ccccc3c2)c(C)c1 ZINC000472027248 886848879 /nfs/dbraw/zinc/84/88/79/886848879.db2.gz LQGSBWCUCAKDRN-FQEVSTJZSA-N -1 3 406.507 4.316 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OC)cc3OCC3CC3)c2)n1 ZINC000472125072 886914886 /nfs/dbraw/zinc/91/48/86/886914886.db2.gz YKANFAROXBSURC-UHFFFAOYSA-N -1 3 419.481 4.461 20 0 HIADHM Cc1cc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)[nH]1 ZINC000473063326 887884388 /nfs/dbraw/zinc/88/43/88/887884388.db2.gz PXVJJBFHMFRTEG-UHFFFAOYSA-N -1 3 401.463 4.132 20 0 HIADHM CC(C)CC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000473400464 888116031 /nfs/dbraw/zinc/11/60/31/888116031.db2.gz DQYGQEVSBIDWEO-INIZCTEOSA-N -1 3 421.538 4.386 20 0 HIADHM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000473435294 888156006 /nfs/dbraw/zinc/15/60/06/888156006.db2.gz PZSIVAUSJOJPHG-UHFFFAOYSA-N -1 3 424.238 4.341 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCN(c4ccccc4)[C@H]3C)c2)n1 ZINC000473488981 888210369 /nfs/dbraw/zinc/21/03/69/888210369.db2.gz OUPDTRGTUPTGLX-HRAATJIYSA-N -1 3 402.498 4.265 20 0 HIADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)sc1Cl ZINC000473904217 888779487 /nfs/dbraw/zinc/77/94/87/888779487.db2.gz YPVFNIREDNXMFB-NSHDSACASA-N -1 3 413.952 4.033 20 0 HIADHM CC(C)C(=O)Nc1cccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)c1 ZINC000504507045 913297607 /nfs/dbraw/zinc/29/76/07/913297607.db2.gz FRYAPRGQSBWGDJ-UHFFFAOYSA-N -1 3 404.239 4.086 20 0 HIADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3c3cc(C)ccc3C)nc(=O)c2c1C ZINC000474208322 889046594 /nfs/dbraw/zinc/04/65/94/889046594.db2.gz 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400.859 4.027 20 0 HIADHM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1cccc(Cl)c1Br ZINC000480736378 896096581 /nfs/dbraw/zinc/09/65/81/896096581.db2.gz NAOWTEGGBKGSPI-UHFFFAOYSA-N -1 3 411.708 4.129 20 0 HIADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480770375 896134313 /nfs/dbraw/zinc/13/43/13/896134313.db2.gz RHUCMHSJVIDLGZ-UHFFFAOYSA-N -1 3 405.380 4.033 20 0 HIADHM COc1cc(C(=O)N[C@H](C)c2ccccc2OCc2ccccc2)cc(OC)c1[O-] ZINC000480810208 896178789 /nfs/dbraw/zinc/17/87/89/896178789.db2.gz XHQKVSHBHXZWPQ-MRXNPFEDSA-N -1 3 407.466 4.479 20 0 HIADHM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)C1 ZINC000480813211 896184609 /nfs/dbraw/zinc/18/46/09/896184609.db2.gz PFIDIMRFTWORKK-SWLSCSKDSA-N -1 3 411.428 4.241 20 0 HIADHM CC(C)c1cc(Br)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480926639 896281266 /nfs/dbraw/zinc/28/12/66/896281266.db2.gz MHLYNAXHSMEMSR-UHFFFAOYSA-N -1 3 406.206 4.031 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cn2)c1Cl ZINC000481230067 896581636 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3 408.211 4.005 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1NCCc1ccc(Cl)cc1 ZINC000483798578 899471423 /nfs/dbraw/zinc/47/14/23/899471423.db2.gz JLYYULNCQHKDJO-UHFFFAOYSA-N -1 3 423.826 4.062 20 0 HIADHM C[C@@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cncc(F)c1 ZINC000484373433 899915843 /nfs/dbraw/zinc/91/58/43/899915843.db2.gz QHUIXYYDPAUYRN-CQSZACIVSA-N -1 3 403.454 4.011 20 0 HIADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1csc(Cc2ccc(F)cc2)n1 ZINC000484973919 900332349 /nfs/dbraw/zinc/33/23/49/900332349.db2.gz GQJQAXNXMPIXBE-UHFFFAOYSA-N -1 3 402.398 4.082 20 0 HIADHM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)ccc1F ZINC000485046705 900381915 /nfs/dbraw/zinc/38/19/15/900381915.db2.gz BWESCKRSCUYAFT-UHFFFAOYSA-N -1 3 402.422 4.326 20 0 HIADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(OCc2ccccn2)cc1 ZINC000485100255 900409574 /nfs/dbraw/zinc/40/95/74/900409574.db2.gz BWPXETRPGXWSSA-UHFFFAOYSA-N -1 3 411.421 4.444 20 0 HIADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cc(F)ccc1Br ZINC000485107100 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4.308 20 0 HIADHM C[C@@H]1CCc2sc(C(=O)N[N-]C(=O)c3cnn(-c4ccccc4)c3C3CC3)cc2C1 ZINC000028427770 847420570 /nfs/dbraw/zinc/42/05/70/847420570.db2.gz WNZGQXZLEOFHFQ-CQSZACIVSA-N -1 3 420.538 4.011 20 0 HIADHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000028896799 847474609 /nfs/dbraw/zinc/47/46/09/847474609.db2.gz JKLYXDODDVZDKL-UHFFFAOYSA-N -1 3 424.258 4.450 20 0 HIADHM Cc1nn(C)c2sc(C(=O)[N-]c3nnc(SCc4ccc(F)cc4)s3)cc12 ZINC000028958923 847483124 /nfs/dbraw/zinc/48/31/24/847483124.db2.gz PBVMUTVPUXXVFA-UHFFFAOYSA-N -1 3 419.532 4.478 20 0 HIADHM CN(CCOc1ccccc1Cl)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000029154279 847515714 /nfs/dbraw/zinc/51/57/14/847515714.db2.gz OOXMKADHCYGSOO-UHFFFAOYSA-N -1 3 415.902 4.409 20 0 HIADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000029283141 847538526 /nfs/dbraw/zinc/53/85/26/847538526.db2.gz OMECKWDDNVRQTK-UHFFFAOYSA-N -1 3 415.828 4.324 20 0 HIADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OC ZINC000029336056 847547530 /nfs/dbraw/zinc/54/75/30/847547530.db2.gz VOULZPHPDQAHEA-UHFFFAOYSA-N -1 3 424.689 4.243 20 0 HIADHM Cc1cc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(Cl)c1 ZINC000029759181 847614442 /nfs/dbraw/zinc/61/44/42/847614442.db2.gz HLSBXBWAMMVUMU-UHFFFAOYSA-N -1 3 412.914 4.425 20 0 HIADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)ccc1F ZINC000029784030 847619232 /nfs/dbraw/zinc/61/92/32/847619232.db2.gz NEKQBKNLEKCUOE-SFHVURJKSA-N -1 3 422.497 4.019 20 0 HIADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccc2ccccc2c1 ZINC000029788028 847619251 /nfs/dbraw/zinc/61/92/51/847619251.db2.gz YHECUJQNKURLIR-UHFFFAOYSA-N -1 3 414.502 4.332 20 0 HIADHM COc1cc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)ccc1OCc1ccc(F)cc1 ZINC000030058189 847677870 /nfs/dbraw/zinc/67/78/70/847677870.db2.gz OTZZIIHPTZDCNV-UDWIEESQSA-N -1 3 403.409 4.224 20 0 HIADHM CC(C)Cn1nnnc1S[C@H](C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000030397403 847711934 /nfs/dbraw/zinc/71/19/34/847711934.db2.gz IAOUOZQMKPULBP-SNVBAGLBSA-N -1 3 418.573 4.209 20 0 HIADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 ZINC000030531909 847730496 /nfs/dbraw/zinc/73/04/96/847730496.db2.gz HUJYDZLPPZUWEO-OAQYLSRUSA-N -1 3 416.543 4.194 20 0 HIADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N(Cc1ccccc1)C1CC1 ZINC000031069637 847818067 /nfs/dbraw/zinc/81/80/67/847818067.db2.gz MDXXSEMKGIQJMK-UHFFFAOYSA-N -1 3 424.497 4.431 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC2(CC2)c2ccccc21 ZINC000436527545 861836432 /nfs/dbraw/zinc/83/64/32/861836432.db2.gz TZPDNZWJFFQZPF-QFIPXVFZSA-N -1 3 412.489 4.332 20 0 HIADHM CC[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1c(C)noc1C ZINC000436530229 861837029 /nfs/dbraw/zinc/83/70/29/861837029.db2.gz BKSYTRDOVSOBTG-RTWAWAEBSA-N -1 3 421.497 4.126 20 0 HIADHM O=C(Nc1ccc(OC2CCCC2)cc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436528463 861837211 /nfs/dbraw/zinc/83/72/11/861837211.db2.gz LRNNJZCAYVAMOL-UHFFFAOYSA-N -1 3 423.513 4.140 20 0 HIADHM CCS[C@@H]1CCC[C@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436529805 861837445 /nfs/dbraw/zinc/83/74/45/861837445.db2.gz SSEBQHRAQDIIPV-NJDAHSKKSA-N -1 3 412.555 4.044 20 0 HIADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000031382952 847873007 /nfs/dbraw/zinc/87/30/07/847873007.db2.gz HOQRQUKGHGAYGB-YWZLYKJASA-N -1 3 404.507 4.277 20 0 HIADHM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436544262 861844396 /nfs/dbraw/zinc/84/43/96/861844396.db2.gz BVCJGYWFEUAICZ-GDLZYMKVSA-N -1 3 409.507 4.410 20 0 HIADHM CC(C)c1ccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c([O-])c1 ZINC000436544202 861844500 /nfs/dbraw/zinc/84/45/00/861844500.db2.gz ILCRKOLHQVFBEJ-IBGZPJMESA-N -1 3 404.304 4.492 20 0 HIADHM O=C(Nc1cc(Br)c[nH]c1=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436551428 861847549 /nfs/dbraw/zinc/84/75/49/861847549.db2.gz YVKPKZMMGCPOSW-UHFFFAOYSA-N -1 3 401.216 4.300 20 0 HIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(CN2CCCCC2=O)CC1 ZINC000436548062 861845413 /nfs/dbraw/zinc/84/54/13/861845413.db2.gz LMYOFPPXKJLOFP-UHFFFAOYSA-N -1 3 408.498 4.049 20 0 HIADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3F)ccc21 ZINC000031721602 847938356 /nfs/dbraw/zinc/93/83/56/847938356.db2.gz JPNORLGXXLZHIY-UHFFFAOYSA-N -1 3 410.470 4.203 20 0 HIADHM O=C(Nc1ccc2c(c1)oc1ccccc12)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436548309 861846878 /nfs/dbraw/zinc/84/68/78/861846878.db2.gz QNFAAZVTEGESMQ-UHFFFAOYSA-N -1 3 415.449 4.282 20 0 HIADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000031776401 847947387 /nfs/dbraw/zinc/94/73/87/847947387.db2.gz FKFZLYUPXFANMG-UHFFFAOYSA-N -1 3 407.706 4.149 20 0 HIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(C(=O)C2CCCCC2)CC1 ZINC000436555233 861849506 /nfs/dbraw/zinc/84/95/06/861849506.db2.gz NOOINEGFQXMJHJ-UHFFFAOYSA-N -1 3 408.498 4.049 20 0 HIADHM O=C(Nc1ccccc1CN1CCOCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436556595 861849777 /nfs/dbraw/zinc/84/97/77/861849777.db2.gz OIGZRISJSGCTTE-UHFFFAOYSA-N -1 3 404.466 4.269 20 0 HIADHM CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436557131 861850895 /nfs/dbraw/zinc/85/08/95/861850895.db2.gz VMORZTYOXQQDNO-UHFFFAOYSA-N -1 3 416.905 4.492 20 0 HIADHM CCCN1CCN(c2ccc(NC(=O)c3ccc([O-])c(Cl)c3)c(OCC)c2)CC1 ZINC000436561321 861852394 /nfs/dbraw/zinc/85/23/94/861852394.db2.gz HQUKQYWWYQXAQS-UHFFFAOYSA-N -1 3 417.937 4.229 20 0 HIADHM CN(C(=O)c1cc2c(cc1[O-])OCO2)[C@@H]1CCSc2ccc(Br)cc21 ZINC000436564625 861853377 /nfs/dbraw/zinc/85/33/77/861853377.db2.gz QMRFKBRJGKSJDL-CYBMUJFWSA-N -1 3 422.300 4.193 20 0 HIADHM O=C(Nc1ccccc1N1CCC(O)CC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436567920 861854838 /nfs/dbraw/zinc/85/48/38/861854838.db2.gz ZDMYJKYTAPGIEA-UHFFFAOYSA-N -1 3 416.521 4.391 20 0 HIADHM CC(C)c1ccc(C(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000436574294 861856962 /nfs/dbraw/zinc/85/69/62/861856962.db2.gz KCURKANVACVSEB-MRXNPFEDSA-N -1 3 411.420 4.046 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(NC(=O)c2ccccc2)c1 ZINC000032442166 848027474 /nfs/dbraw/zinc/02/74/74/848027474.db2.gz QDLSXLZBWPKSKH-CQSZACIVSA-N -1 3 416.449 4.257 20 0 HIADHM CCN(C[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1)CC(F)(F)F ZINC000436572662 861856985 /nfs/dbraw/zinc/85/69/85/861856985.db2.gz FJCXDQZPDUEAMC-IBGZPJMESA-N -1 3 420.475 4.329 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3OC)cc2)cc1F ZINC000032589280 848049858 /nfs/dbraw/zinc/04/98/58/848049858.db2.gz YCVLDUJUVZJDDK-UHFFFAOYSA-N -1 3 403.431 4.436 20 0 HIADHM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC(CCCN2CCOCC2)CC1 ZINC000436584193 861859509 /nfs/dbraw/zinc/85/95/09/861859509.db2.gz PLUCDLBMUGVLDK-UHFFFAOYSA-N -1 3 416.949 4.163 20 0 HIADHM O=C(NCCc1nccn1Cc1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436594606 861862063 /nfs/dbraw/zinc/86/20/63/861862063.db2.gz FUSXBFNFDKDNMT-UHFFFAOYSA-N -1 3 411.505 4.200 20 0 HIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCn2c(nnc2C2CCCC2)C1 ZINC000436594706 861862169 /nfs/dbraw/zinc/86/21/69/861862169.db2.gz JQDAJBZQDYJSKG-UHFFFAOYSA-N -1 3 404.470 4.090 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCn2c(nnc2C2CCCC2)C1 ZINC000436593017 861862183 /nfs/dbraw/zinc/86/21/83/861862183.db2.gz BLXFMQOWJJJWLX-UHFFFAOYSA-N -1 3 416.525 4.083 20 0 HIADHM O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436595242 861862254 /nfs/dbraw/zinc/86/22/54/861862254.db2.gz LOMIEMTZDLHPLQ-HSZRJFAPSA-N -1 3 416.477 4.353 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000436594801 861862560 /nfs/dbraw/zinc/86/25/60/861862560.db2.gz GLMLERBUWMMNFA-XMMPIXPASA-N -1 3 403.478 4.097 20 0 HIADHM Cc1ccc(NC(=O)CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436599049 861864468 /nfs/dbraw/zinc/86/44/68/861864468.db2.gz WLNIPUGCNWDSTI-UHFFFAOYSA-N -1 3 402.494 4.197 20 0 HIADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000033097952 848108528 /nfs/dbraw/zinc/10/85/28/848108528.db2.gz PCQXVXUHCZLWKQ-WBVHZDCISA-N -1 3 404.507 4.277 20 0 HIADHM C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436605156 861866775 /nfs/dbraw/zinc/86/67/75/861866775.db2.gz KRAKUTXYKNONQR-ZDUSSCGKSA-N -1 3 409.511 4.302 20 0 HIADHM O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436604044 861867016 /nfs/dbraw/zinc/86/70/16/861867016.db2.gz NRFVNRMNICTCAI-HXUWFJFHSA-N -1 3 411.567 4.352 20 0 HIADHM O=C(CC1CCC(c2ccccc2)CC1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436613442 861870413 /nfs/dbraw/zinc/87/04/13/861870413.db2.gz VAHLSWWTVYZBRB-UHFFFAOYSA-N -1 3 420.553 4.477 20 0 HIADHM CC[C@@](C)(NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nccs1 ZINC000436617183 861872148 /nfs/dbraw/zinc/87/21/48/861872148.db2.gz HSUOXLOWZPQIRD-WMZHIEFXSA-N -1 3 423.538 4.152 20 0 HIADHM CC(C)N(Cc1cccnc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436619488 861872953 /nfs/dbraw/zinc/87/29/53/861872953.db2.gz XCAFDLDHZLQQNA-HSZRJFAPSA-N -1 3 417.509 4.086 20 0 HIADHM Cc1c([O-])ccc2c(CSc3ncnc4c3cnn4-c3ccccc3)cc(=O)oc12 ZINC000036823609 848166640 /nfs/dbraw/zinc/16/66/40/848166640.db2.gz VJMIRQATIFVPDW-UHFFFAOYSA-N 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COc1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)cc(OC)c1[O-] ZINC000436687279 861894018 /nfs/dbraw/zinc/89/40/18/861894018.db2.gz IJTACSPMPSTPOB-UHFFFAOYSA-N -1 3 409.373 4.453 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](c2ccccc2)C(C)C)c1 ZINC000436667440 861888117 /nfs/dbraw/zinc/88/81/17/861888117.db2.gz YGVOTMWHDIWYON-NRFANRHFSA-N -1 3 407.470 4.410 20 0 HIADHM CC(C)Cn1ccc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc21 ZINC000436667812 861888457 /nfs/dbraw/zinc/88/84/57/861888457.db2.gz VVMARMDPMWGWEZ-OAQYLSRUSA-N -1 3 405.498 4.246 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CCC(C)C)CCC(C)C)c1 ZINC000436669873 861889143 /nfs/dbraw/zinc/88/91/43/861889143.db2.gz CGUKQUOPWLVTAL-UHFFFAOYSA-N -1 3 401.507 4.475 20 0 HIADHM O=C(NC[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1)c1ccco1 ZINC000436669021 861889173 /nfs/dbraw/zinc/88/91/73/861889173.db2.gz ZBJSKBOGUAIMQB-KRWDZBQOSA-N -1 3 420.465 4.060 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccccc2C)c1 ZINC000436672259 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C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(Cl)c1Cl ZINC000303729634 855156606 /nfs/dbraw/zinc/15/66/06/855156606.db2.gz UVKJVVYZHVWUFQ-WBMJQRKESA-N -1 3 407.297 4.181 20 0 HIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000303746531 855169222 /nfs/dbraw/zinc/16/92/22/855169222.db2.gz APKFXPXBJPUHDI-UHFFFAOYSA-N -1 3 407.470 4.401 20 0 HIADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000327256668 855416000 /nfs/dbraw/zinc/41/60/00/855416000.db2.gz QCWRCDSJDWLJAY-LNHVQRHZSA-N -1 3 405.709 4.303 20 0 HIADHM Cc1c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)nnn1-c1cccc(C)c1 ZINC000409615156 855565663 /nfs/dbraw/zinc/56/56/63/855565663.db2.gz XTQPBUQTGBACET-UHFFFAOYSA-N -1 3 422.539 4.280 20 0 HIADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nc(C(F)(F)F)cs1 ZINC000425949180 856013445 /nfs/dbraw/zinc/01/34/45/856013445.db2.gz DXGRYGSMSQDRSV-SSDOTTSWSA-N -1 3 424.242 4.190 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)cc1C ZINC000425973663 856024250 /nfs/dbraw/zinc/02/42/50/856024250.db2.gz ABOHTNCGTCFQQZ-UHFFFAOYSA-N -1 3 402.516 4.323 20 0 HIADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c(OC[C@@H]2CCCO2)c1 ZINC000426205067 856174941 /nfs/dbraw/zinc/17/49/41/856174941.db2.gz JKUUGZCQRQJTMK-INIZCTEOSA-N -1 3 410.445 4.094 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3sc(Cl)cc32)c1 ZINC000426543906 856341509 /nfs/dbraw/zinc/34/15/09/856341509.db2.gz ZBRIWUVKLJVKNB-AWEZNQCLSA-N -1 3 417.874 4.073 20 0 HIADHM Cc1ccc([C@@H](NCc2ccc(Br)c(Br)c2)C(=O)[O-])cc1 ZINC000426680027 856409492 /nfs/dbraw/zinc/40/94/92/856409492.db2.gz YZTXCDUMQCIQAV-OAHLLOKOSA-N -1 3 413.109 4.436 20 0 HIADHM CCCOc1c(Br)cc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1OC ZINC000426711592 856427582 /nfs/dbraw/zinc/42/75/82/856427582.db2.gz PMPNDPGSRLMOCQ-GOSISDBHSA-N -1 3 422.319 4.470 20 0 HIADHM Cc1ccc([C@@H](NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)[O-])cc1 ZINC000426711370 856427611 /nfs/dbraw/zinc/42/76/11/856427611.db2.gz ZUSADKQOZJTKDZ-LJQANCHMSA-N -1 3 403.404 4.174 20 0 HIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000426719984 856433133 /nfs/dbraw/zinc/43/31/33/856433133.db2.gz KDMKZCQDJQXSRM-GOSISDBHSA-N -1 3 405.878 4.206 20 0 HIADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1Br ZINC000426723389 856435567 /nfs/dbraw/zinc/43/55/67/856435567.db2.gz LPTRKTWEFJCDAU-OAHLLOKOSA-N -1 3 402.647 4.166 20 0 HIADHM O=C([O-])[C@@H](CSCCOc1ccccc1)NCc1cc(Cl)ccc1Cl ZINC000426723422 856435962 /nfs/dbraw/zinc/43/59/62/856435962.db2.gz LYOOSQGLSZCVSM-QGZVFWFLSA-N -1 3 400.327 4.348 20 0 HIADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OCC(F)(F)F ZINC000426733913 856441722 /nfs/dbraw/zinc/44/17/22/856441722.db2.gz ZUKDQUSRVIMTQC-MRXNPFEDSA-N -1 3 403.784 4.205 20 0 HIADHM O=C([O-])[C@@H](Cc1c(F)cccc1Cl)NCc1cc(F)ccc1Br ZINC000426760697 856462290 /nfs/dbraw/zinc/46/22/90/856462290.db2.gz UAJUJFDRKOXMOV-OAHLLOKOSA-N -1 3 404.638 4.166 20 0 HIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(Br)c3cccnc23)c1 ZINC000426771878 856468917 /nfs/dbraw/zinc/46/89/17/856468917.db2.gz GVWSDZBJAAYUBM-GOSISDBHSA-N -1 3 415.287 4.312 20 0 HIADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(C)c(Br)s2)cc1OC ZINC000426772841 856470211 /nfs/dbraw/zinc/47/02/11/856470211.db2.gz GTOMCVRLPNYGME-ZDUSSCGKSA-N -1 3 414.321 4.142 20 0 HIADHM COc1cc(CN[C@H](C(=O)[O-])c2ccsc2)ccc1OCc1ccc(F)cc1 ZINC000426782574 856475315 /nfs/dbraw/zinc/47/53/15/856475315.db2.gz GXQNLJLODCGTIM-FQEVSTJZSA-N -1 3 401.459 4.390 20 0 HIADHM COCc1cccc(CN[C@H](C(=O)[O-])c2c(C)nn(-c3cccc(Cl)c3)c2C)c1 ZINC000426790431 856480040 /nfs/dbraw/zinc/48/00/40/856480040.db2.gz DIRPLEDOOWPRAR-NRFANRHFSA-N -1 3 413.905 4.204 20 0 HIADHM O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)NCc1nc(-c2ccccc2)cs1 ZINC000426795245 856482648 /nfs/dbraw/zinc/48/26/48/856482648.db2.gz WLHZAALSRGKEQB-INIZCTEOSA-N -1 3 404.438 4.197 20 0 HIADHM CCOc1cccc(CN[C@H](C(=O)[O-])c2c(C)nn(-c3cccc(Cl)c3)c2C)c1 ZINC000426795980 856483842 /nfs/dbraw/zinc/48/38/42/856483842.db2.gz ZWGBSSBTCAXBHT-NRFANRHFSA-N -1 3 413.905 4.457 20 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/nfs/dbraw/zinc/95/82/94/856958294.db2.gz FLYQNONFJXNDAV-OAQYLSRUSA-N -1 3 413.495 4.195 20 0 HIADHM O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NCc1ccc([O-])c(F)c1 ZINC000427958729 857022873 /nfs/dbraw/zinc/02/28/73/857022873.db2.gz JZNGILAUQXVMIM-UHFFFAOYSA-N -1 3 409.442 4.143 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC(C)(F)F)ccc2C)cc1 ZINC000428356695 857170109 /nfs/dbraw/zinc/17/01/09/857170109.db2.gz VNJOMADQSUQOKK-UHFFFAOYSA-N -1 3 412.458 4.178 20 0 HIADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cnc(OCc2ccccc2)cn1 ZINC000428721383 857310036 /nfs/dbraw/zinc/31/00/36/857310036.db2.gz TWIOTKGXHBIRHA-UHFFFAOYSA-N -1 3 423.885 4.480 20 0 HIADHM Cc1cscc1CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000429493358 857695761 /nfs/dbraw/zinc/69/57/61/857695761.db2.gz QMFJPWBWEVPNQF-UHFFFAOYSA-N -1 3 411.708 4.244 20 0 HIADHM Cc1sc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)nc1C(C)C ZINC000429816813 857895865 /nfs/dbraw/zinc/89/58/65/857895865.db2.gz HXRBIJWOLOOUFQ-UHFFFAOYSA-N -1 3 423.785 4.469 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)[C@@H]3OCCc4sccc43)c2)n1 ZINC000429837715 857904132 /nfs/dbraw/zinc/90/41/32/857904132.db2.gz MJFIYHBQLSKGAU-RBZFPXEDSA-N -1 3 409.511 4.362 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC3CC(F)(F)C3)ccc2C)c(C)c1 ZINC000430352303 858130999 /nfs/dbraw/zinc/13/09/99/858130999.db2.gz APHWQRDZXXHMHD-UHFFFAOYSA-N -1 3 422.497 4.249 20 0 HIADHM CSc1nsc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)n1 ZINC000430409656 858148331 /nfs/dbraw/zinc/14/83/31/858148331.db2.gz ADVTWUXAALDOHM-UHFFFAOYSA-N -1 3 410.480 4.146 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@H]3CC[C@@H](C)C3)c2)cc1 ZINC000430471240 858183930 /nfs/dbraw/zinc/18/39/30/858183930.db2.gz JOEPRMOUDCIAEP-QAPCUYQASA-N -1 3 416.543 4.065 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)[C@H]1CC[C@H](C)C1 ZINC000430482556 858191913 /nfs/dbraw/zinc/19/19/13/858191913.db2.gz WCLXZUPABJJGRV-HOCLYGCPSA-N -1 3 404.507 4.196 20 0 HIADHM CC[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)c1ccncc1 ZINC000430646076 858245437 /nfs/dbraw/zinc/24/54/37/858245437.db2.gz CCMWEPCBEVATRU-OAHLLOKOSA-N -1 3 420.694 4.220 20 0 HIADHM CC(C)C1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000430644180 858246040 /nfs/dbraw/zinc/24/60/40/858246040.db2.gz AQEHTYAVXLZANE-UHFFFAOYSA-N -1 3 411.727 4.452 20 0 HIADHM Cc1ccc(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)s1 ZINC000430662149 858256235 /nfs/dbraw/zinc/25/62/35/858256235.db2.gz IVEJCYVSKTUEPU-UHFFFAOYSA-N -1 3 411.708 4.244 20 0 HIADHM Cc1[nH]nc2ncc(NC(=O)c3c[n-]c4ccc(Oc5ccccc5)cc4c3=O)cc12 ZINC000430672307 858262615 /nfs/dbraw/zinc/26/26/15/858262615.db2.gz SQTLBZJINPXENA-UHFFFAOYSA-N -1 3 411.421 4.152 20 0 HIADHM COC(=O)c1cc([C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)oc1C ZINC000430988334 858393782 /nfs/dbraw/zinc/39/37/82/858393782.db2.gz LEPFROQHRKFESF-LBPRGKRZSA-N -1 3 410.455 4.062 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000431285682 858547293 /nfs/dbraw/zinc/54/72/93/858547293.db2.gz ZXECELNSJKKKFZ-CZUORRHYSA-N -1 3 407.919 4.228 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](COCc4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000437736176 863064246 /nfs/dbraw/zinc/06/42/46/863064246.db2.gz MKTXDJNFZYFWRR-LJQANCHMSA-N -1 3 418.497 4.228 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1c(F)cccc1Sc1ccccc1 ZINC000467537275 881358817 /nfs/dbraw/zinc/35/88/17/881358817.db2.gz LKYFLLXHBCKCIK-UHFFFAOYSA-N -1 3 405.458 4.333 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1c(F)cccc1Sc1ccccc1 ZINC000467537275 881358835 /nfs/dbraw/zinc/35/88/35/881358835.db2.gz LKYFLLXHBCKCIK-UHFFFAOYSA-N -1 3 405.458 4.333 20 0 HIADHM CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000432013513 858927899 /nfs/dbraw/zinc/92/78/99/858927899.db2.gz QZGUGWZGBYOJRI-UHFFFAOYSA-N -1 3 422.460 4.460 20 0 HIADHM Cc1ccc(NC(=O)C2Cc3ccccc3C2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000432403090 859147499 /nfs/dbraw/zinc/14/74/99/859147499.db2.gz RONJBIQTANZEJU-UHFFFAOYSA-N -1 3 424.497 4.288 20 0 HIADHM CSc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1Cl ZINC000432485840 859188663 /nfs/dbraw/zinc/18/86/63/859188663.db2.gz OSALPTYTBKZMRS-MRXNPFEDSA-N -1 3 412.964 4.248 20 0 HIADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cccc21 ZINC000432490876 859190832 /nfs/dbraw/zinc/19/08/32/859190832.db2.gz QBUOSBXCNTXVAT-INIZCTEOSA-N -1 3 418.412 4.031 20 0 HIADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cccc21 ZINC000432490878 859190984 /nfs/dbraw/zinc/19/09/84/859190984.db2.gz QBUOSBXCNTXVAT-MRXNPFEDSA-N -1 3 418.412 4.031 20 0 HIADHM O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1c[n-]c2ccccc2c1=O ZINC000432615753 859257261 /nfs/dbraw/zinc/25/72/61/859257261.db2.gz IUWCKQYTXPLKFM-HNNXBMFYSA-N -1 3 402.479 4.100 20 0 HIADHM Cc1ccc(-c2nc(NC(=O)c3cc(C(F)(F)F)ccc3Br)n[n-]2)o1 ZINC000433008949 859474771 /nfs/dbraw/zinc/47/47/71/859474771.db2.gz FUEZZFNSEUTTNX-UHFFFAOYSA-N -1 3 415.169 4.407 20 0 HIADHM CCCNC(=O)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1Cl ZINC000433301111 859625268 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Cc1c(NC(=O)NCc2ccc([O-])c(Br)c2)noc1-c1ccccc1F ZINC000433904786 859961368 /nfs/dbraw/zinc/96/13/68/859961368.db2.gz UTEUDQFEDOHVKW-UHFFFAOYSA-N -1 3 420.238 4.579 20 0 HIADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(F)ccc1Br ZINC000435211957 860695657 /nfs/dbraw/zinc/69/56/57/860695657.db2.gz WVISLRJTMFFJRQ-VHSXEESVSA-N -1 3 418.250 4.235 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NC3(c4cccc(F)c4)CCOCC3)cc2)cc(=O)[n-]1 ZINC000437742847 863069063 /nfs/dbraw/zinc/06/90/63/863069063.db2.gz GZNJDXZURCFASF-UHFFFAOYSA-N -1 3 422.460 4.124 20 0 HIADHM CCc1c(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cnn1-c1cccc(Cl)c1 ZINC000438342603 863813342 /nfs/dbraw/zinc/81/33/42/863813342.db2.gz OQCKNMVJBSQYCK-UHFFFAOYSA-N -1 3 423.860 4.003 20 0 HIADHM COCc1c(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)sc2cccc(F)c21 ZINC000438343724 863815060 /nfs/dbraw/zinc/81/50/60/863815060.db2.gz DDCWVQKUQPVMRT-UHFFFAOYSA-N -1 3 413.430 4.102 20 0 HIADHM CCSCc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000438373812 863833040 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20 0 HIADHM CCc1ccc([O-])c(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)c1 ZINC000447688719 871621342 /nfs/dbraw/zinc/62/13/42/871621342.db2.gz HVBXEQZLAXTCRE-UHFFFAOYSA-N -1 3 403.320 4.434 20 0 HIADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cc1OC ZINC000447782541 871714362 /nfs/dbraw/zinc/71/43/62/871714362.db2.gz ZEXLCYHMCBPVDJ-UHFFFAOYSA-N -1 3 403.859 4.084 20 0 HIADHM O=S(=O)([N-]c1ccc(OCc2ccncc2)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000447788876 871724894 /nfs/dbraw/zinc/72/48/94/871724894.db2.gz QCVKCLZLSXCLPD-UHFFFAOYSA-N -1 3 424.400 4.202 20 0 HIADHM CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000447855264 871774599 /nfs/dbraw/zinc/77/45/99/871774599.db2.gz QLRLZHKRUPJBLZ-KBPBESRZSA-N -1 3 410.440 4.310 20 0 HIADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)cc1OC ZINC000447892145 871804770 /nfs/dbraw/zinc/80/47/70/871804770.db2.gz GBRFGQHIXLKZTR-UHFFFAOYSA-N -1 3 424.950 4.062 20 0 HIADHM O=C([N-]c1cc(-c2ccccc2F)on1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000448491489 872476213 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HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000474633749 889496208 /nfs/dbraw/zinc/49/62/08/889496208.db2.gz NLBIQYZTMQBAND-OAHLLOKOSA-N -1 3 424.328 4.309 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000474812181 889665520 /nfs/dbraw/zinc/66/55/20/889665520.db2.gz BWHUEKDZMJMGOH-UHFFFAOYSA-N -1 3 418.335 4.012 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C(C)C)ccc2C)cc1 ZINC000475313488 890226592 /nfs/dbraw/zinc/22/65/92/890226592.db2.gz OGKQTOISLRLFMD-MOPGFXCFSA-N -1 3 402.516 4.035 20 0 HIADHM CCOc1c(Br)cc(CNCc2ncccc2[O-])cc1Br ZINC000475343449 890265884 /nfs/dbraw/zinc/26/58/84/890265884.db2.gz SQOSCYJMBHZTGL-UHFFFAOYSA-N -1 3 416.113 4.001 20 0 HIADHM COc1ccc(-c2nc([N-]C(=O)c3c(C)onc3-c3ccccc3C)n[nH]2)c(OC)c1 ZINC000475469746 890378863 /nfs/dbraw/zinc/37/88/63/890378863.db2.gz QDEJPCGTHBABKF-UHFFFAOYSA-N -1 3 419.441 4.013 20 0 HIADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccncc1)c1ccc(Br)cc1F ZINC000475574997 890504818 /nfs/dbraw/zinc/50/48/18/890504818.db2.gz YNJTXNUEQHIQKV-GOSISDBHSA-N -1 3 421.291 4.051 20 0 HIADHM COC[C@@H](Cc1ccccc1)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000475742375 890684217 /nfs/dbraw/zinc/68/42/17/890684217.db2.gz OYLJUIJKMNMHFK-MRXNPFEDSA-N -1 3 409.511 4.346 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c(Br)c1 ZINC000475801555 890736657 /nfs/dbraw/zinc/73/66/57/890736657.db2.gz ZJWHPCZLNITZEM-UHFFFAOYSA-N -1 3 417.300 4.218 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)cc1C(C)C ZINC000475826015 890760590 /nfs/dbraw/zinc/76/05/90/890760590.db2.gz IKCQXALLFAHMII-UHFFFAOYSA-N -1 3 419.547 4.330 20 0 HIADHM Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)s1 ZINC000476137002 891059147 /nfs/dbraw/zinc/05/91/47/891059147.db2.gz DWUKUDYCCIXWJI-CQSZACIVSA-N -1 3 422.432 4.332 20 0 HIADHM Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000476136945 891059556 /nfs/dbraw/zinc/05/95/56/891059556.db2.gz FALLHJBFYLLVJG-UHFFFAOYSA-N -1 3 408.405 4.031 20 0 HIADHM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000476239585 891163977 /nfs/dbraw/zinc/16/39/77/891163977.db2.gz SEYNCXHKOHDADU-UHFFFAOYSA-N -1 3 401.193 4.055 20 0 HIADHM CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000476392489 891308060 /nfs/dbraw/zinc/30/80/60/891308060.db2.gz YURSPDDFDYFZJZ-UHFFFAOYSA-N -1 3 419.250 4.441 20 0 HIADHM COc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000476395348 891311260 /nfs/dbraw/zinc/31/12/60/891311260.db2.gz FNGUHLSEMVMANH-UHFFFAOYSA-N -1 3 418.284 4.185 20 0 HIADHM CC(C)(C)C1CC(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000504826670 913546378 /nfs/dbraw/zinc/54/63/78/913546378.db2.gz AGYBXCLMTMWXER-UHFFFAOYSA-N -1 3 411.727 4.499 20 0 HIADHM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1[N-]C(=O)c1ocnc1C ZINC000476686807 891639531 /nfs/dbraw/zinc/63/95/31/891639531.db2.gz FXSHCCFUZBESDJ-UHFFFAOYSA-N -1 3 413.455 4.034 20 0 HIADHM Cc1ccc(S[C@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)c2ccccc2)c(C)c1 ZINC000476974863 891902559 /nfs/dbraw/zinc/90/25/59/891902559.db2.gz YVOMEQCFIMJOLA-NRFANRHFSA-N -1 3 405.523 4.217 20 0 HIADHM CCc1cc(=O)[n-]c(CSCc2nc(-c3ccc(Br)s3)no2)n1 ZINC000477356116 892320372 /nfs/dbraw/zinc/32/03/72/892320372.db2.gz RYCFWJQCINOMAE-UHFFFAOYSA-N -1 3 413.322 4.052 20 0 HIADHM CCc1cc(=O)[n-]c(CSCc2csc(-c3ccc(OC)cc3OC)n2)n1 ZINC000477358844 892324059 /nfs/dbraw/zinc/32/40/59/892324059.db2.gz WKXXEJJFALFWRN-UHFFFAOYSA-N -1 3 403.529 4.319 20 0 HIADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000477686720 892810148 /nfs/dbraw/zinc/81/01/48/892810148.db2.gz DJJSOTPAUOAIJD-INIZCTEOSA-N -1 3 411.433 4.393 20 0 HIADHM CCCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000505005548 913748310 /nfs/dbraw/zinc/74/83/10/913748310.db2.gz LSWHRQZVIJGJDL-HXUWFJFHSA-N -1 3 403.526 4.045 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1NC(=O)N(C)C ZINC000478703949 893965077 /nfs/dbraw/zinc/96/50/77/893965077.db2.gz YFNXMBMAZWRBRR-UHFFFAOYSA-N -1 3 419.547 4.314 20 0 HIADHM COc1cc(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc(OC)c1[O-] ZINC000478885669 894164635 /nfs/dbraw/zinc/16/46/35/894164635.db2.gz RLNSTWHYSUBYGW-UHFFFAOYSA-N -1 3 410.451 4.209 20 0 HIADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)c1C ZINC000479239751 894503084 /nfs/dbraw/zinc/50/30/84/894503084.db2.gz FSMRJHFPSVWKMD-IBGZPJMESA-N -1 3 402.560 4.114 20 0 HIADHM Cc1ccc(-c2nc(NC(=O)CCc3c(C)nn(Cc4ccc(C)cc4)c3C)n[n-]2)o1 ZINC000479462389 894785621 /nfs/dbraw/zinc/78/56/21/894785621.db2.gz BNPNUNBOOKNLGM-UHFFFAOYSA-N -1 3 418.501 4.114 20 0 HIADHM Cc1ccc(-c2nc(NC(=O)c3cccc(-c4noc(CC(C)(C)C)n4)c3)n[n-]2)o1 ZINC000479479483 894803157 /nfs/dbraw/zinc/80/31/57/894803157.db2.gz PMYLLBMXKUYGRQ-UHFFFAOYSA-N -1 3 406.446 4.264 20 0 HIADHM CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000479588988 894874405 /nfs/dbraw/zinc/87/44/05/894874405.db2.gz XQUTYASLGWCRIX-GFCCVEGCSA-N -1 3 419.403 4.074 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2csc3cc(C)ccc23)cc1OC ZINC000479741953 895040929 /nfs/dbraw/zinc/04/09/29/895040929.db2.gz LUHFLQORPMECNJ-UHFFFAOYSA-N -1 3 404.513 4.232 20 0 HIADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(C)o1 ZINC000479992809 895345370 /nfs/dbraw/zinc/34/53/70/895345370.db2.gz VTKMRRSKVOCMLL-CYBMUJFWSA-N -1 3 411.829 4.316 20 0 HIADHM c1nc2nc(=N[C@H]3CSc4ccccc43)cc(N[C@@H]3CSc4ccccc43)n2[n-]1 ZINC000480011927 895361997 /nfs/dbraw/zinc/36/19/97/895361997.db2.gz BBXLIXWWLBOHMX-JKSUJKDBSA-N -1 3 418.551 4.064 20 0 HIADHM Cc1coc2ccc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)cc12 ZINC000480071733 895422377 /nfs/dbraw/zinc/42/23/77/895422377.db2.gz RMFLKSCGEYVGIA-UHFFFAOYSA-N -1 3 413.430 4.262 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](c4ccccc4Cl)OC[C@@H]3C)nc2)n1 ZINC000480071649 895422393 /nfs/dbraw/zinc/42/23/93/895422393.db2.gz KHPTXOOPOOFRQV-LIRRHRJNSA-N -1 3 410.905 4.426 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2cc(Br)ccn2)CC1 ZINC000480088125 895451604 /nfs/dbraw/zinc/45/16/04/895451604.db2.gz ZVXFCUBZFGHJOS-UHFFFAOYSA-N 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ZINC000481034244 896361047 /nfs/dbraw/zinc/36/10/47/896361047.db2.gz HXSHEWPDYURHSF-INIZCTEOSA-N -1 3 405.438 4.077 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCCOc3ccc4c(c3)CCC4)cc2)n1 ZINC000481145235 896472795 /nfs/dbraw/zinc/47/27/95/896472795.db2.gz VFEFFYHOCZOWSC-UHFFFAOYSA-N -1 3 403.482 4.032 20 0 HIADHM Cc1nc(-c2ccccc2C)sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000481310121 896658555 /nfs/dbraw/zinc/65/85/55/896658555.db2.gz QABANUOUOYEROF-UHFFFAOYSA-N -1 3 401.513 4.051 20 0 HIADHM Cc1nc([C@@H]2CCCO2)sc1C(=O)[N-]c1n[nH]c(-c2cccc3ccccc32)n1 ZINC000481611600 896993191 /nfs/dbraw/zinc/99/31/91/896993191.db2.gz LLHFYGMZYCWGLJ-INIZCTEOSA-N -1 3 405.483 4.494 20 0 HIADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1Cl ZINC000481881682 897253921 /nfs/dbraw/zinc/25/39/21/897253921.db2.gz JRQOLBPKSNZTFQ-UHFFFAOYSA-N -1 3 421.719 4.104 20 0 HIADHM COc1cc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc(OC)c1[O-] ZINC000481928659 897312520 /nfs/dbraw/zinc/31/25/20/897312520.db2.gz CUIXEPXFQBBLPZ-LJQANCHMSA-N -1 3 416.477 4.453 20 0 HIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)cc1 ZINC000481959309 897348798 /nfs/dbraw/zinc/34/87/98/897348798.db2.gz VHWXMCOYRVYFGL-UHFFFAOYSA-N -1 3 414.508 4.101 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCSc2c(F)cccc21 ZINC000482310817 897809412 /nfs/dbraw/zinc/80/94/12/897809412.db2.gz OZPIUWZEUCGVNQ-CQSZACIVSA-N -1 3 411.296 4.330 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000482674465 898276413 /nfs/dbraw/zinc/27/64/13/898276413.db2.gz UJPJSOYNVJXCCM-OAHLLOKOSA-N -1 3 409.799 4.066 20 0 HIADHM CC(C)C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000482983794 898623098 /nfs/dbraw/zinc/62/30/98/898623098.db2.gz OXLQBIXGOWRAHY-LBPRGKRZSA-N -1 3 423.361 4.429 20 0 HIADHM CCC[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000482994794 898638494 /nfs/dbraw/zinc/63/84/94/898638494.db2.gz ZYYRGHKOEWSNEK-NSHDSACASA-N -1 3 409.334 4.183 20 0 HIADHM Cc1onc(-c2cccc(Br)c2)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000505574293 914280954 /nfs/dbraw/zinc/28/09/54/914280954.db2.gz XQWGMJCKIVGCIX-UHFFFAOYSA-N -1 3 405.223 4.187 20 0 HIADHM CC(C)[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000483209145 898860923 /nfs/dbraw/zinc/86/09/23/898860923.db2.gz YRAAQIRSFASYGX-LBPRGKRZSA-N -1 3 409.334 4.039 20 0 HIADHM CCN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000483563811 899219953 /nfs/dbraw/zinc/21/99/53/899219953.db2.gz BKJSHTKNPAJERB-SECBINFHSA-N -1 3 409.334 4.135 20 0 HIADHM C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000483567516 899222496 /nfs/dbraw/zinc/22/24/96/899222496.db2.gz KCQPJIBJDJWSFO-CABZTGNLSA-N -1 3 421.345 4.135 20 0 HIADHM Cc1c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)nnn1-c1ccc(C)cc1 ZINC000484778995 900190191 /nfs/dbraw/zinc/19/01/91/900190191.db2.gz VQERSVXEIOXVFB-UHFFFAOYSA-N -1 3 410.890 4.308 20 0 HIADHM CS[C@H](C)CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000505759455 914430615 /nfs/dbraw/zinc/43/06/15/914430615.db2.gz ABXKMFJYQBJPBJ-QGZVFWFLSA-N -1 3 420.600 4.202 20 0 HIADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000485113461 900419672 /nfs/dbraw/zinc/41/96/72/900419672.db2.gz LGHVHMIQWXBYCW-UHFFFAOYSA-N -1 3 410.437 4.145 20 0 HIADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000485113461 900419679 /nfs/dbraw/zinc/41/96/79/900419679.db2.gz LGHVHMIQWXBYCW-UHFFFAOYSA-N -1 3 410.437 4.145 20 0 HIADHM COc1ccc(C[C@H](C)C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1OC ZINC000485116070 900421208 /nfs/dbraw/zinc/42/12/08/900421208.db2.gz ZTIGNQZBHHRRKB-ZDUSSCGKSA-N -1 3 406.442 4.052 20 0 HIADHM Cc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)nn1-c1ccc(F)cc1F ZINC000485124474 900428369 /nfs/dbraw/zinc/42/83/69/900428369.db2.gz OAKXXLANOKRYRO-UHFFFAOYSA-N -1 3 420.379 4.243 20 0 HIADHM Cc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)nn1-c1ccc(F)cc1F ZINC000485124474 900428372 /nfs/dbraw/zinc/42/83/72/900428372.db2.gz OAKXXLANOKRYRO-UHFFFAOYSA-N -1 3 420.379 4.243 20 0 HIADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccccc1COC1CCOCC1 ZINC000485137704 900438025 /nfs/dbraw/zinc/43/80/25/900438025.db2.gz XAUIKSACZOZCDD-UHFFFAOYSA-N -1 3 418.453 4.166 20 0 HIADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccccc1COC1CCOCC1 ZINC000485137704 900438033 /nfs/dbraw/zinc/43/80/33/900438033.db2.gz XAUIKSACZOZCDD-UHFFFAOYSA-N -1 3 418.453 4.166 20 0 HIADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000485168876 900467927 /nfs/dbraw/zinc/46/79/27/900467927.db2.gz AAZCBLPXFHQZEL-UHFFFAOYSA-N -1 3 410.776 4.257 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H](c1ccco1)c1ccccc1 ZINC000485281340 900559361 /nfs/dbraw/zinc/55/93/61/900559361.db2.gz DBGYVHBFPJFDNZ-SFHVURJKSA-N -1 3 401.260 4.337 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCCCC(=O)C3)cc2)cc1 ZINC000485421168 900720743 /nfs/dbraw/zinc/72/07/43/900720743.db2.gz KIPOGRLCZYQLAP-KRWDZBQOSA-N -1 3 414.527 4.274 20 0 HIADHM O=C(NCCCc1c[nH]c2ccccc12)NCc1ccc([O-])c(Br)c1 ZINC000485601655 900860818 /nfs/dbraw/zinc/86/08/18/900860818.db2.gz SCYPNVORGPQBGS-UHFFFAOYSA-N -1 3 402.292 4.068 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000485606914 900866249 /nfs/dbraw/zinc/86/62/49/900866249.db2.gz GKCIGCZTFJLSAO-IBGZPJMESA-N -1 3 412.287 4.139 20 0 HIADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1sc2ccccc2c1Br ZINC000485644289 900895042 /nfs/dbraw/zinc/89/50/42/900895042.db2.gz PMLRZPJSVZKSPV-UHFFFAOYSA-N -1 3 400.261 4.096 20 0 HIADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1sc2ccccc2c1Br ZINC000485644289 900895043 /nfs/dbraw/zinc/89/50/43/900895043.db2.gz PMLRZPJSVZKSPV-UHFFFAOYSA-N -1 3 400.261 4.096 20 0 HIADHM CCCCc1nc(NC(=O)Cc2nc(-c3ccccc3)oc2C)c(C(=O)OCC)[n-]1 ZINC000485692299 900942325 /nfs/dbraw/zinc/94/23/25/900942325.db2.gz GXGSJGCORMRTGG-UHFFFAOYSA-N -1 3 410.474 4.074 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2c[nH]c3cc(C)ccc23)s1 ZINC000485863151 901105163 /nfs/dbraw/zinc/10/51/63/901105163.db2.gz 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AXLMOVTXFIKYLS-IFXJQAMLSA-N -1 3 401.825 4.087 20 0 HIADHM O=S(=O)([N-]CCc1nc2ccccc2n1C(F)F)c1c(Cl)cccc1Cl ZINC000487455548 902216244 /nfs/dbraw/zinc/21/62/44/902216244.db2.gz ZJDBFQKECFDDQJ-UHFFFAOYSA-N -1 3 420.268 4.259 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3SCCc4ccccc43)cc2)cc(=O)[n-]1 ZINC000487720021 902314988 /nfs/dbraw/zinc/31/49/88/902314988.db2.gz WMLXLMSUUJETRO-FQEVSTJZSA-N -1 3 406.511 4.310 20 0 HIADHM O=C(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1c[n-]c2ccccc2c1=O ZINC000488123523 902620779 /nfs/dbraw/zinc/62/07/79/902620779.db2.gz WYBGBGYMNAQXLY-UHFFFAOYSA-N -1 3 413.462 4.090 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(OCc2ccncc2)cc1 ZINC000488651637 902920587 /nfs/dbraw/zinc/92/05/87/902920587.db2.gz AUFLURBLARZNES-UHFFFAOYSA-N -1 3 413.271 4.059 20 0 HIADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCCO1)c1cc(C(F)(F)F)ccc1F ZINC000488672101 902932951 /nfs/dbraw/zinc/93/29/51/902932951.db2.gz MUWZUFMWJRETQD-DOTOQJQBSA-N -1 3 403.397 4.043 20 0 HIADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccc1NC(=O)CC(C)C ZINC000488678556 902940522 /nfs/dbraw/zinc/94/05/22/902940522.db2.gz VQBMPRMGCZOTPC-UHFFFAOYSA-N -1 3 419.319 4.378 20 0 HIADHM Cn1c(COc2ccccc2)nnc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000488885460 903058523 /nfs/dbraw/zinc/05/85/23/903058523.db2.gz DSFRQCSFBHPILU-UHFFFAOYSA-N -1 3 419.466 4.081 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000489945697 903690596 /nfs/dbraw/zinc/69/05/96/903690596.db2.gz JOHSUJLSKWKHOX-PKOBYXMFSA-N -1 3 419.319 4.092 20 0 HIADHM O=c1nc(CN2CCC(n3cc(Cl)cn3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000506055107 914753950 /nfs/dbraw/zinc/75/39/50/914753950.db2.gz AFEGIVBDQITSDG-UHFFFAOYSA-N -1 3 415.906 4.344 20 0 HIADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)[n-]c1-c1ccccc1 ZINC000490413316 903995591 /nfs/dbraw/zinc/99/55/91/903995591.db2.gz LSBYBNGBSLXLEK-QGZVFWFLSA-N -1 3 411.527 4.111 20 0 HIADHM C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc([O-])ccc1Cl ZINC000490433074 904006598 /nfs/dbraw/zinc/00/65/98/904006598.db2.gz MVPCPMMRRNBVCB-PIGZYNQJSA-N -1 3 410.695 4.410 20 0 HIADHM COc1cc(CCC2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc(OC)c1 ZINC000506069054 914773377 /nfs/dbraw/zinc/77/33/77/914773377.db2.gz AKGHUOPJITVCCB-UHFFFAOYSA-N -1 3 420.509 4.030 20 0 HIADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)c(=O)[n-]1 ZINC000490724442 904194461 /nfs/dbraw/zinc/19/44/61/904194461.db2.gz VNSNQORTXGOPNX-IBGZPJMESA-N -1 3 418.335 4.152 20 0 HIADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)c(=O)[n-]1 ZINC000490724443 904194653 /nfs/dbraw/zinc/19/46/53/904194653.db2.gz VNSNQORTXGOPNX-LJQANCHMSA-N -1 3 418.335 4.152 20 0 HIADHM CC[C@@H](C)CN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000490886538 904302375 /nfs/dbraw/zinc/30/23/75/904302375.db2.gz KBQZHBYKCYCUCN-OAHLLOKOSA-N -1 3 406.523 4.443 20 0 HIADHM O=c1[n-]c(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)nc2c3ccccc3oc21 ZINC000492267808 904826961 /nfs/dbraw/zinc/82/69/61/904826961.db2.gz HYLPDBIDDFYZRC-UHFFFAOYSA-N -1 3 417.391 4.134 20 0 HIADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)c1ccco1 ZINC000493896158 905252569 /nfs/dbraw/zinc/25/25/69/905252569.db2.gz DGOGPFMJYHEOMN-MRXNPFEDSA-N -1 3 413.923 4.168 20 0 HIADHM COCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)c1ccc(C)o1 ZINC000493943410 905294459 /nfs/dbraw/zinc/29/44/59/905294459.db2.gz CRBQXNJGVCYIMP-LBPRGKRZSA-N -1 3 422.728 4.060 20 0 HIADHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493991111 905334186 /nfs/dbraw/zinc/33/41/86/905334186.db2.gz FQRVKEPKNNGMJD-NSHDSACASA-N -1 3 416.724 4.042 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)CC3CC3)c2)cc1 ZINC000494017798 905355749 /nfs/dbraw/zinc/35/57/49/905355749.db2.gz AYESRQWRPJEUOQ-INIZCTEOSA-N -1 3 416.543 4.113 20 0 HIADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000494652663 905885600 /nfs/dbraw/zinc/88/56/00/905885600.db2.gz YBZGRXGWNPEPFG-UHFFFAOYSA-N -1 3 415.486 4.394 20 0 HIADHM C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000495171512 906284655 /nfs/dbraw/zinc/28/46/55/906284655.db2.gz HYNHRJVAFXXWMU-NSHDSACASA-N -1 3 410.890 4.188 20 0 HIADHM C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000495171512 906284670 /nfs/dbraw/zinc/28/46/70/906284670.db2.gz HYNHRJVAFXXWMU-NSHDSACASA-N -1 3 410.890 4.188 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Sc4nccn4C)cc3)c[n-]c12 ZINC000495179195 906289760 /nfs/dbraw/zinc/28/97/60/906289760.db2.gz ZFSSGLHMOGKYJI-UHFFFAOYSA-N -1 3 408.458 4.113 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@H](c2ccccc2)C(C)C)cc1OC ZINC000497314732 906830786 /nfs/dbraw/zinc/83/07/86/906830786.db2.gz ZBCMEHHQJUYVAE-FQEVSTJZSA-N -1 3 419.547 4.318 20 0 HIADHM CN(Cc1cnn(C(C)(C)C)c1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000512644108 921271860 /nfs/dbraw/zinc/27/18/60/921271860.db2.gz JXPFBIUPCIFSOP-UHFFFAOYSA-N -1 3 412.559 4.071 20 0 HIADHM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1cc(F)cc(F)c1 ZINC000512647561 921273555 /nfs/dbraw/zinc/27/35/55/921273555.db2.gz FEILVRPGFWBHIX-UHFFFAOYSA-N -1 3 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406.467 4.393 20 0 HIADHM CCc1cccc(C(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)c1[O-] ZINC000537675608 938351668 /nfs/dbraw/zinc/35/16/68/938351668.db2.gz PTWVWSXBIAYEGZ-UHFFFAOYSA-N -1 3 424.478 4.292 20 0 HIADHM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000537748909 938368541 /nfs/dbraw/zinc/36/85/41/938368541.db2.gz UXDLXJDCPQODFM-YEJXKQKISA-N -1 3 410.449 4.194 20 0 HIADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(OC(C)C)cc3)n2)ccc1F ZINC000538013124 938462222 /nfs/dbraw/zinc/46/22/22/938462222.db2.gz MLEBOOHSPZEVSF-AWEZNQCLSA-N -1 3 419.478 4.011 20 0 HIADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cnccc1Oc1ccccc1)c2=O ZINC000538348333 938600145 /nfs/dbraw/zinc/60/01/45/938600145.db2.gz PZRAXESSTUIRDX-UHFFFAOYSA-N -1 3 405.385 4.115 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2cccc3ccccc32)c1 ZINC000538835865 938722647 /nfs/dbraw/zinc/72/26/47/938722647.db2.gz WJDPFWVKUQBHQK-UHFFFAOYSA-N -1 3 415.449 4.067 20 0 HIADHM CCOc1cccc([C@H]2C[C@@H]2NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000539384687 938852477 /nfs/dbraw/zinc/85/24/77/938852477.db2.gz CIYWBYZVOZVVSE-CTNGQTDRSA-N -1 3 404.470 4.234 20 0 HIADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(OCCC(C)C)cc3)ccc2[nH]1 ZINC000539597440 938885840 /nfs/dbraw/zinc/88/58/40/938885840.db2.gz NLLDQZNOWIIEGQ-UHFFFAOYSA-N -1 3 414.527 4.316 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC000539936967 938979420 /nfs/dbraw/zinc/97/94/20/938979420.db2.gz QEYMEUYBLIPNLL-SFHVURJKSA-N -1 3 409.442 4.291 20 0 HIADHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000539948284 938980482 /nfs/dbraw/zinc/98/04/82/938980482.db2.gz BLIXWZNHEQQCRF-QLJPJBMISA-N -1 3 409.376 4.038 20 0 HIADHM C[C@@H](NC(=O)c1ccccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000539957741 938981266 /nfs/dbraw/zinc/98/12/66/938981266.db2.gz AKXBNMYQVXEYFI-CYBMUJFWSA-N -1 3 416.403 4.304 20 0 HIADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cnc(Oc4ccccc4)cn3)s2)cc1 ZINC000540219000 939133944 /nfs/dbraw/zinc/13/39/44/939133944.db2.gz YVQVFACLMOCDKM-UHFFFAOYSA-N -1 3 403.467 4.272 20 0 HIADHM Cc1ccc(C(=O)N2CC[C@H]2C(C)C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000540549285 939301690 /nfs/dbraw/zinc/30/16/90/939301690.db2.gz JHZIDMCGLSJGHQ-SFHVURJKSA-N -1 3 424.925 4.459 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2Br)c(C)o1 ZINC000540650322 939330868 /nfs/dbraw/zinc/33/08/68/939330868.db2.gz STTTXCUJTISOFC-UHFFFAOYSA-N -1 3 414.199 4.358 20 0 HIADHM CCOC(=O)c1cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)[n-]n1 ZINC000540881128 939408923 /nfs/dbraw/zinc/40/89/23/939408923.db2.gz VOFUGRNNZCRXQA-UHFFFAOYSA-N -1 3 402.410 4.161 20 0 HIADHM CCOC(=O)c1cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)n[n-]1 ZINC000540881128 939408938 /nfs/dbraw/zinc/40/89/38/939408938.db2.gz VOFUGRNNZCRXQA-UHFFFAOYSA-N -1 3 402.410 4.161 20 0 HIADHM Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cnc1N1CCCC[C@H]1C ZINC000540958051 939420536 /nfs/dbraw/zinc/42/05/36/939420536.db2.gz YOLWWFUVGLMGAK-OAHLLOKOSA-N -1 3 408.477 4.310 20 0 HIADHM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2)C(F)(F)F ZINC000541824630 939643464 /nfs/dbraw/zinc/64/34/64/939643464.db2.gz BSBFUYARSRQIFY-AWEZNQCLSA-N -1 3 400.422 4.051 20 0 HIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541830067 939644270 /nfs/dbraw/zinc/64/42/70/939644270.db2.gz OSODRLYCBFBNEW-LPHOPBHVSA-N -1 3 407.438 4.218 20 0 HIADHM CC(C)Sc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001263627978 939829061 /nfs/dbraw/zinc/82/90/61/939829061.db2.gz DONULVBPOFECIN-QHCPKHFHSA-N -1 3 412.555 4.036 20 0 HIADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cnc(-c2ccccc2F)s1 ZINC000542491248 939832453 /nfs/dbraw/zinc/83/24/53/939832453.db2.gz MYZXAXGLMNQIJA-UHFFFAOYSA-N -1 3 417.487 4.252 20 0 HIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)c2ccccc12 ZINC000542754639 939859232 /nfs/dbraw/zinc/85/92/32/939859232.db2.gz DTMOULNXUDDGLP-INIZCTEOSA-N -1 3 402.438 4.054 20 0 HIADHM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@@H]2CCCC[C@H]21 ZINC000542990687 939892387 /nfs/dbraw/zinc/89/23/87/939892387.db2.gz XRCFPPMMOBOAFB-FYINFDKHSA-N -1 3 416.518 4.277 20 0 HIADHM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)[C@H]2CCCC[C@H]12 ZINC000542991202 939892507 /nfs/dbraw/zinc/89/25/07/939892507.db2.gz WYSZEZLRCILDMB-FPDPHYFHSA-N -1 3 416.518 4.277 20 0 HIADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(Cl)c1Cl ZINC000543687525 940160008 /nfs/dbraw/zinc/16/00/08/940160008.db2.gz LAEGRPHRPUUZDP-UKRRQHHQSA-N -1 3 404.290 4.331 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC[C@H](CC2CC2)C1 ZINC000563836917 945309124 /nfs/dbraw/zinc/30/91/24/945309124.db2.gz PMJYRWVIPPPNBI-QGZVFWFLSA-N -1 3 416.518 4.197 20 0 HIADHM Cc1ncc(CNC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000544340664 940394465 /nfs/dbraw/zinc/39/44/65/940394465.db2.gz VWOOJCOLALIYBJ-FQEVSTJZSA-N -1 3 413.930 4.283 20 0 HIADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N(CCC(F)(F)F)CC1CC1 ZINC000544379007 940406632 /nfs/dbraw/zinc/40/66/32/940406632.db2.gz OMORDXCITVIABM-UHFFFAOYSA-N -1 3 417.225 4.095 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@H](CC)c3nc(C)cs3)nc(=O)c2c1C ZINC000544448972 940435218 /nfs/dbraw/zinc/43/52/18/940435218.db2.gz BJHQPAGDPMPBHJ-VXGBXAGGSA-N -1 3 420.560 4.037 20 0 HIADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(C)cc1Sc1ccc(Cl)cc1 ZINC000544745225 940510157 /nfs/dbraw/zinc/51/01/57/940510157.db2.gz BISHGQFMMSSFRB-MRXNPFEDSA-N -1 3 401.919 4.041 20 0 HIADHM NC(=O)[C@H](Cc1ccc(Cl)cc1)Sc1nnc([N-]c2ccccc2F)s1 ZINC000544857918 940519687 /nfs/dbraw/zinc/51/96/87/940519687.db2.gz ZOHTVVOFPKNYOP-AWEZNQCLSA-N -1 3 408.911 4.263 20 0 HIADHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(OC)c([O-])c1Br ZINC000544876306 940521053 /nfs/dbraw/zinc/52/10/53/940521053.db2.gz VMRYOXIXCPNUAY-MRXNPFEDSA-N -1 3 411.683 4.403 20 0 HIADHM CCOc1ccccc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000544975127 940529974 /nfs/dbraw/zinc/52/99/74/940529974.db2.gz XBGKGFLGLQKGGT-UHFFFAOYSA-N -1 3 419.478 4.018 20 0 HIADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])c(C)n1Cc1ccncc1 ZINC000545140891 940548657 /nfs/dbraw/zinc/54/86/57/940548657.db2.gz UNGDWVWDAGXQIH-UHFFFAOYSA-N -1 3 400.276 4.269 20 0 HIADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1 ZINC000545357436 940564605 /nfs/dbraw/zinc/56/46/05/940564605.db2.gz ICPBPXCYZGNDAZ-SFHVURJKSA-N -1 3 422.300 4.119 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc3ccccc3n2C2CC2)c1Cl ZINC000545369378 940566192 /nfs/dbraw/zinc/56/61/92/940566192.db2.gz CKICMQHPJRLHTB-UHFFFAOYSA-N -1 3 410.326 4.465 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)C)no3)ccc2C)cc1 ZINC000545554090 940574549 /nfs/dbraw/zinc/57/45/49/940574549.db2.gz XYXMQWXHRGRJAP-UHFFFAOYSA-N -1 3 401.488 4.368 20 0 HIADHM COc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc(OC)c1[O-] ZINC000545842920 940627781 /nfs/dbraw/zinc/62/77/81/940627781.db2.gz NEOQBLIOYGGARE-CVEARBPZSA-N -1 3 409.404 4.494 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1OC(C)C ZINC000546179778 940722445 /nfs/dbraw/zinc/72/24/45/940722445.db2.gz MBJNQBKIXJFSFN-UHFFFAOYSA-N -1 3 419.421 4.224 20 0 HIADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc(-c3cccc4[nH]ccc43)no2)c1 ZINC000546272405 940755749 /nfs/dbraw/zinc/75/57/49/940755749.db2.gz BJLSATSJIZTLBO-UHFFFAOYSA-N -1 3 423.429 4.153 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(C[C@@H](C)c2ccccc2)no1 ZINC000546461667 940826073 /nfs/dbraw/zinc/82/60/73/940826073.db2.gz PGOILSHNCAMSGL-ZIAGYGMSSA-N -1 3 405.907 4.109 20 0 HIADHM Cc1nc(C)c(Cc2nc([C@H](c3ccc(Br)cc3)C(C)C)no2)c(=O)[n-]1 ZINC000546523129 940842716 /nfs/dbraw/zinc/84/27/16/940842716.db2.gz ZRJJZYNZGFHYOO-KRWDZBQOSA-N -1 3 417.307 4.323 20 0 HIADHM C[C@](O)(C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1)C(F)(F)F ZINC000546663686 940866920 /nfs/dbraw/zinc/86/69/20/940866920.db2.gz KARRWWKCMCJTSX-FQEVSTJZSA-N -1 3 409.404 4.350 20 0 HIADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000546860874 940897331 /nfs/dbraw/zinc/89/73/31/940897331.db2.gz RYLNFRKFVOGBRU-UHFFFAOYSA-N -1 3 418.284 4.185 20 0 HIADHM CCCc1c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cnn1-c1cc(C)ccn1 ZINC000546962455 940928893 /nfs/dbraw/zinc/92/88/93/940928893.db2.gz YGAPODVJPOXSJE-UHFFFAOYSA-N -1 3 419.460 4.070 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2cccc3cc[nH]c32)CC1 ZINC000547850661 941078594 /nfs/dbraw/zinc/07/85/94/941078594.db2.gz OMAABHYZIHFYQJ-UHFFFAOYSA-N -1 3 412.877 4.410 20 0 HIADHM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000548494119 941109856 /nfs/dbraw/zinc/10/98/56/941109856.db2.gz DUMZAMQIQMGRNJ-CABZTGNLSA-N -1 3 417.225 4.094 20 0 HIADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000548611305 941114702 /nfs/dbraw/zinc/11/47/02/941114702.db2.gz RJMAYKYIWSQBRX-UHFFFAOYSA-N -1 3 404.875 4.159 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)c3ccc(C(=O)C(C)C)cc3)cc2)n1 ZINC000548950465 941132717 /nfs/dbraw/zinc/13/27/17/941132717.db2.gz CGYKZIJNBVLUDH-INIZCTEOSA-N -1 3 403.482 4.326 20 0 HIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(F)(F)F)cc2)cc1C ZINC000548977716 941137878 /nfs/dbraw/zinc/13/78/78/941137878.db2.gz XGGQNZSBJJEWJB-UHFFFAOYSA-N -1 3 416.421 4.085 20 0 HIADHM Cc1ccccc1[C@@H](OC[C@H](O)COc1ccc2c([O-])coc2c1)c1ccccc1 ZINC000549784721 941207381 /nfs/dbraw/zinc/20/73/81/941207381.db2.gz HFMKYHBCECMKEH-CLOONOSVSA-N -1 3 404.462 4.116 20 0 HIADHM COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000549958534 941249418 /nfs/dbraw/zinc/24/94/18/941249418.db2.gz MHEZBWBRBFYMLY-UHFFFAOYSA-N -1 3 402.878 4.323 20 0 HIADHM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1cccc(Br)c1Cl ZINC000551202029 941426949 /nfs/dbraw/zinc/42/69/49/941426949.db2.gz KIOGJHNHYPXJEP-UHFFFAOYSA-N -1 3 411.708 4.129 20 0 HIADHM Brc1cccc(-c2nc(-c3noc([C@H]4CCOc5ccccc54)n3)n[n-]2)c1 ZINC000551433840 941478167 /nfs/dbraw/zinc/47/81/67/941478167.db2.gz DWUIWRCTBXVULO-AWEZNQCLSA-N -1 3 424.258 4.199 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2cc3ccccc3s2)cc1Cl ZINC000552210246 941603720 /nfs/dbraw/zinc/60/37/20/941603720.db2.gz TXQPXRJDTVBDBP-UHFFFAOYSA-N -1 3 412.895 4.131 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCC(C)C)cc1Cl ZINC000552531644 941698778 /nfs/dbraw/zinc/69/87/78/941698778.db2.gz MAAVYIVSUISXHO-CJNGLKHVSA-N -1 3 404.935 4.321 20 0 HIADHM COc1ccc(-c2nc(CC(=O)Nc3c([O-])cccc3Cl)cs2)cc1OC ZINC000552781533 941760572 /nfs/dbraw/zinc/76/05/72/941760572.db2.gz KCKQTFYABCJXGH-UHFFFAOYSA-N -1 3 404.875 4.368 20 0 HIADHM O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1c([O-])cccc1Cl ZINC000552781687 941761053 /nfs/dbraw/zinc/76/10/53/941761053.db2.gz RTSPCACXRLCCCM-QHCPKHFHSA-N -1 3 416.724 4.335 20 0 HIADHM CCc1[nH]ccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000552919148 941802677 /nfs/dbraw/zinc/80/26/77/941802677.db2.gz QSZCCZFXAPQLDN-UHFFFAOYSA-N -1 3 401.463 4.078 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@@H](C)c3cccc(F)c3F)nc(=O)c2c1C ZINC000553386060 941877691 /nfs/dbraw/zinc/87/76/91/941877691.db2.gz OTQLKDNKXCTBCQ-QWRGUYRKSA-N -1 3 421.469 4.160 20 0 HIADHM COc1cc(C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)cc(OC)c1[O-] ZINC000553508597 941898847 /nfs/dbraw/zinc/89/88/47/941898847.db2.gz OLSSSUWJGXKWOM-SFHVURJKSA-N -1 3 420.303 4.225 20 0 HIADHM CCC(C)(C)[C@H]1CCc2nc(NC(=O)c3c(C)[n-]c(=O)nc3SC)sc2C1 ZINC000553658597 941936913 /nfs/dbraw/zinc/93/69/13/941936913.db2.gz SFNHOUYDSACYBL-NSHDSACASA-N -1 3 406.577 4.462 20 0 HIADHM O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1c(F)cccc1OC(F)(F)F ZINC000553772896 941964330 /nfs/dbraw/zinc/96/43/30/941964330.db2.gz HXHXFZJNFSSJET-GFCCVEGCSA-N -1 3 407.410 4.240 20 0 HIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c2ccccc12 ZINC000554186911 942061874 /nfs/dbraw/zinc/06/18/74/942061874.db2.gz VIVOAQSGNBBBQH-UHFFFAOYSA-N -1 3 411.458 4.364 20 0 HIADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@@H](c2ccccc2F)C1 ZINC000554554274 942167353 /nfs/dbraw/zinc/16/73/53/942167353.db2.gz AYRMRYWCWGUETC-GFCCVEGCSA-N -1 3 415.262 4.059 20 0 HIADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC000554662558 942192915 /nfs/dbraw/zinc/19/29/15/942192915.db2.gz TZLXBAAYEVXZES-UHFFFAOYSA-N -1 3 403.435 4.030 20 0 HIADHM COc1ccc(F)c(CNCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000555562815 942643820 /nfs/dbraw/zinc/64/38/20/942643820.db2.gz MICGEVCDIAXDOV-UHFFFAOYSA-N -1 3 418.465 4.064 20 0 HIADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)Cc1nc(-c2cccs2)n[n-]1 ZINC000556058067 942798579 /nfs/dbraw/zinc/79/85/79/942798579.db2.gz KYCBFNWHFOBKEX-JTQLQIEISA-N -1 3 417.434 4.108 20 0 HIADHM O=C(Nc1c([O-])cccc1Cl)c1ncc(Br)cc1Br ZINC000557182061 943042950 /nfs/dbraw/zinc/04/29/50/943042950.db2.gz IBNWERHYOUEDHF-UHFFFAOYSA-N -1 3 406.461 4.218 20 0 HIADHM CC(C)n1cnnc1[C@@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000557210041 943052919 /nfs/dbraw/zinc/05/29/19/943052919.db2.gz MVTUMBILUMALHM-CQSZACIVSA-N -1 3 424.530 4.209 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(C(=O)N4CCCC[C@H]4C)cc3)c[n-]c12 ZINC000557443047 943130004 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ZINC000033206752 848125380 /nfs/dbraw/zinc/12/53/80/848125380.db2.gz MSWRGUJKATXGHC-KRWDZBQOSA-N -1 3 412.511 4.058 20 0 HIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccnc(N2CCCC2)n1 ZINC000436609941 861868724 /nfs/dbraw/zinc/86/87/24/861868724.db2.gz XAEVUMFDXHIXDU-UHFFFAOYSA-N -1 3 417.494 4.311 20 0 HIADHM CC(C)CS(=O)(=O)CCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436608045 861868789 /nfs/dbraw/zinc/86/87/89/861868789.db2.gz TVDFVVJRHUORCA-UHFFFAOYSA-N -1 3 418.540 4.068 20 0 HIADHM CC(=O)NC1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCCCC1 ZINC000436613022 861870146 /nfs/dbraw/zinc/87/01/46/861870146.db2.gz ZSUVBHDRBCYWQK-UHFFFAOYSA-N -1 3 409.511 4.446 20 0 HIADHM CCCCN(CC(F)(F)F)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436615700 861870831 /nfs/dbraw/zinc/87/08/31/861870831.db2.gz BOVDVGRMILJHEM-LJQANCHMSA-N -1 3 422.447 4.444 20 0 HIADHM O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436615583 861870976 /nfs/dbraw/zinc/87/09/76/861870976.db2.gz GGYRUYVIKFNMFW-UHFFFAOYSA-N -1 3 410.901 4.408 20 0 HIADHM O=C(Nc1ccc(Sc2ccncc2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436622888 861873578 /nfs/dbraw/zinc/87/35/78/861873578.db2.gz CVPCEYBJDNWPFC-HXUWFJFHSA-N -1 3 419.506 4.182 20 0 HIADHM C[C@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c2ccccc2O1 ZINC000436631227 861875912 /nfs/dbraw/zinc/87/59/12/861875912.db2.gz SWPOBYKSLNNZRM-UWJYYQICSA-N -1 3 416.477 4.068 20 0 HIADHM CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436635223 861876692 /nfs/dbraw/zinc/87/66/92/861876692.db2.gz NFZCXCPUERURBF-UHFFFAOYSA-N -1 3 408.454 4.261 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@H](C)[C@@H]3c3ccccc3)cs2)c1 ZINC000436640417 861879488 /nfs/dbraw/zinc/87/94/88/861879488.db2.gz WIMDZLRENROPQP-YCRPNKLZSA-N -1 3 421.522 4.172 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)C1(c2ccc(F)cc2)CCCCC1 ZINC000436640186 861879589 /nfs/dbraw/zinc/87/95/89/861879589.db2.gz HEACVAUJGYGWQZ-UHFFFAOYSA-N -1 3 424.516 4.154 20 0 HIADHM Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(C)n1C1CCCCC1 ZINC000436662978 861886815 /nfs/dbraw/zinc/88/68/15/861886815.db2.gz HNJOBMCMDVHSAF-UHFFFAOYSA-N -1 3 423.557 4.350 20 0 HIADHM Cc1[nH]ncc1C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000436660232 861885143 /nfs/dbraw/zinc/88/51/43/861885143.db2.gz RTASVSXGNLSJKY-UHFFFAOYSA-N -1 3 405.241 4.235 20 0 HIADHM Cc1c(C(=O)N(C)C2CC2)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000042055314 848278639 /nfs/dbraw/zinc/27/86/39/848278639.db2.gz NUDUXUVLVKQGQM-UHFFFAOYSA-N -1 3 413.568 4.437 20 0 HIADHM COc1cccc(CNC(=O)[C@@H](C)Sc2nnc([N-]c3ccccc3F)s2)c1 ZINC000042149121 848293067 /nfs/dbraw/zinc/29/30/67/848293067.db2.gz IJDFNVROZUAQDK-GFCCVEGCSA-N -1 3 418.519 4.226 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1 ZINC000436668170 861888439 /nfs/dbraw/zinc/88/84/39/861888439.db2.gz AEYLHEINMDVSIA-OAHLLOKOSA-N -1 3 419.481 4.382 20 0 HIADHM O=C(c1ccccc1[O-])N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000436697448 861897129 /nfs/dbraw/zinc/89/71/29/861897129.db2.gz NEPNPXIXXDYJGM-UHFFFAOYSA-N -1 3 413.930 4.127 20 0 HIADHM CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436731116 861917685 /nfs/dbraw/zinc/91/76/85/861917685.db2.gz NQTYYZHNAZRHIQ-UHFFFAOYSA-N -1 3 421.293 4.431 20 0 HIADHM CC(C)CCn1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1C(C)C ZINC000436734056 861919829 /nfs/dbraw/zinc/91/98/29/861919829.db2.gz JQZBFBZPTQFROF-IBGZPJMESA-N -1 3 412.534 4.002 20 0 HIADHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044973191 848617644 /nfs/dbraw/zinc/61/76/44/848617644.db2.gz LUGGKZHGUBHNJO-DLBZAZTESA-N -1 3 416.930 4.004 20 0 HIADHM C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(Cl)cn1 ZINC000436742156 861925480 /nfs/dbraw/zinc/92/54/80/861925480.db2.gz XAIILWFVEYNIPB-BTYIYWSLSA-N -1 3 423.900 4.179 20 0 HIADHM O=C(CNC(=O)c1cccc(F)c1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436743595 861928371 /nfs/dbraw/zinc/92/83/71/861928371.db2.gz XTXSKGVBIBAXOA-UHFFFAOYSA-N -1 3 421.453 4.177 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)onc3-c3ccc(F)cc3)c2)n1 ZINC000046067657 848781104 /nfs/dbraw/zinc/78/11/04/848781104.db2.gz DGZKJDZIANEVJP-UHFFFAOYSA-N -1 3 418.428 4.354 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C(C)C)n(C(C)(C)C)n3)c2)n1 ZINC000046067367 848781125 /nfs/dbraw/zinc/78/11/25/848781125.db2.gz HOXRSDIHMIWSPK-UHFFFAOYSA-N -1 3 407.518 4.327 20 0 HIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2SC(F)F)ccc1F ZINC000046148444 848789537 /nfs/dbraw/zinc/78/95/37/848789537.db2.gz FKIAIIMDSCJFJA-UHFFFAOYSA-N -1 3 418.462 4.079 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCc1ccc(Cl)nc1 ZINC000046451909 848851029 /nfs/dbraw/zinc/85/10/29/848851029.db2.gz MVUUSQARXZAXHY-LJQANCHMSA-N -1 3 410.857 4.045 20 0 HIADHM CCCCCOc1ccc([C@@H](C)NC(=O)N[N-]C(=O)c2ccccc2F)cc1OC ZINC000046828729 848943796 /nfs/dbraw/zinc/94/37/96/848943796.db2.gz PYTULNRNTIYXJM-OAHLLOKOSA-N -1 3 417.481 4.109 20 0 HIADHM Cc1cc(O[C@H](C)C(=O)N[N-]C(=O)c2ccccc2Br)ccc1C(C)C ZINC000046895151 848954353 /nfs/dbraw/zinc/95/43/53/848954353.db2.gz PPNYDVOSMODXBU-CQSZACIVSA-N -1 3 419.319 4.109 20 0 HIADHM O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000047156507 848993211 /nfs/dbraw/zinc/99/32/11/848993211.db2.gz VVGQQWBXLFPEJR-UHFFFAOYSA-N -1 3 419.717 4.340 20 0 HIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cc(Cn2cccn2)on1 ZINC000436779608 861972732 /nfs/dbraw/zinc/97/27/32/861972732.db2.gz XFPYRBNXRVUFIR-UHFFFAOYSA-N -1 3 417.450 4.154 20 0 HIADHM CCCN(Cc1ccccc1Br)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436780877 861974086 /nfs/dbraw/zinc/97/40/86/861974086.db2.gz HHTRFCRYEFPYRJ-UHFFFAOYSA-N -1 3 405.292 4.166 20 0 HIADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000047454418 849051202 /nfs/dbraw/zinc/05/12/02/849051202.db2.gz KNCZDHBLOUCJEE-UHFFFAOYSA-N -1 3 405.520 4.052 20 0 HIADHM CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000047654919 849089615 /nfs/dbraw/zinc/08/96/15/849089615.db2.gz RKYONPJRYHKDKA-UHFFFAOYSA-N -1 3 407.706 4.197 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000436785929 861978372 /nfs/dbraw/zinc/97/83/72/861978372.db2.gz WILJUJLKYFNTML-HSZRJFAPSA-N -1 3 409.432 4.475 20 0 HIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(NC(=O)C(C)C)cc3)nc(=O)c2c1C ZINC000047752534 849105029 /nfs/dbraw/zinc/10/50/29/849105029.db2.gz WGEWGASPJQVILN-GFCCVEGCSA-N -1 3 413.499 4.114 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)c1 ZINC000436789880 861982078 /nfs/dbraw/zinc/98/20/78/861982078.db2.gz FRAAXZHHKPJARM-ZRGWGRIASA-N -1 3 419.481 4.348 20 0 HIADHM O=C(NCC1(Sc2ccccc2)CCCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436788928 861982655 /nfs/dbraw/zinc/98/26/55/861982655.db2.gz ADIKFPCKDXBIMY-FQEVSTJZSA-N -1 3 424.566 4.218 20 0 HIADHM CC(C)c1ccc(C(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)c([O-])c1 ZINC000436790883 861983892 /nfs/dbraw/zinc/98/38/92/861983892.db2.gz JDGXIOPJUGSZGS-UHFFFAOYSA-N -1 3 418.497 4.162 20 0 HIADHM O=S(=O)([N-]Cc1cc(Br)cs1)c1cccc(Cl)c1Cl ZINC000048671567 849254096 /nfs/dbraw/zinc/25/40/96/849254096.db2.gz XRJGAXLJMKDIOY-UHFFFAOYSA-N -1 3 401.134 4.296 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3cc(Cl)ccc3Cl)c2)n1 ZINC000049303027 849301856 /nfs/dbraw/zinc/30/18/56/849301856.db2.gz IAPCCVBISMCDOI-UHFFFAOYSA-N -1 3 418.280 4.324 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3=Cc4cc(Cl)ccc4OC3)c2)n1 ZINC000049302445 849302095 /nfs/dbraw/zinc/30/20/95/849302095.db2.gz ZVHUVPZWJNILJP-UHFFFAOYSA-N -1 3 407.857 4.067 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2)n1 ZINC000049304473 849302987 /nfs/dbraw/zinc/30/29/87/849302987.db2.gz LEOQUOIMJMVIAM-UHFFFAOYSA-N -1 3 411.889 4.449 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3csc(-c4ccccc4)n3)c2)n1 ZINC000049304700 849303109 /nfs/dbraw/zinc/30/31/09/849303109.db2.gz ARCODMPWPASLCN-UHFFFAOYSA-N -1 3 416.506 4.304 20 0 HIADHM COCCN(Cc1scnc1C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436820308 862003240 /nfs/dbraw/zinc/00/32/40/862003240.db2.gz GNOIEXOTNWNJIJ-UHFFFAOYSA-N -1 3 410.539 4.231 20 0 HIADHM Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436827706 862007088 /nfs/dbraw/zinc/00/70/88/862007088.db2.gz OCKOQNOZVRRYOG-KRWDZBQOSA-N -1 3 407.495 4.067 20 0 HIADHM Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)c(F)c2)cc1 ZINC000436829151 862009822 /nfs/dbraw/zinc/00/98/22/862009822.db2.gz KUTATOQCZRGYNQ-UHFFFAOYSA-N -1 3 418.468 4.105 20 0 HIADHM CCc1ccc(C(=O)N2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c([O-])c1 ZINC000436843280 862019312 /nfs/dbraw/zinc/01/93/12/862019312.db2.gz ZIFVQWVLXONZRX-UHFFFAOYSA-N -1 3 423.431 4.063 20 0 HIADHM Cc1ccn(-c2ccc(C(=O)O[C@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)cc2)n1 ZINC000051275327 849451795 /nfs/dbraw/zinc/45/17/95/849451795.db2.gz LSJFEMHERGCXKJ-CYBMUJFWSA-N -1 3 408.483 4.014 20 0 HIADHM C[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])CCN1Cc1ccccc1 ZINC000436846221 862023776 /nfs/dbraw/zinc/02/37/76/862023776.db2.gz BKFHFNLRYCSMAK-AWEZNQCLSA-N -1 3 421.310 4.030 20 0 HIADHM O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000053794975 849759480 /nfs/dbraw/zinc/75/94/80/849759480.db2.gz JSUJSQLOUMXAPT-UHFFFAOYSA-N -1 3 401.894 4.112 20 0 HIADHM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1F ZINC000053819665 849763621 /nfs/dbraw/zinc/76/36/21/849763621.db2.gz HGSTYEHSHOYIFN-UHFFFAOYSA-N -1 3 418.421 4.027 20 0 HIADHM CSCC[C@H](/N=C/c1cc(Br)ccc1[O-])c1nnc2ccccn21 ZINC000054280299 849838406 /nfs/dbraw/zinc/83/84/06/849838406.db2.gz RFOYRLJMELWABO-YRIIZNAFSA-N -1 3 405.321 4.111 20 0 HIADHM O=C(Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1)Nc1ccc(F)cc1 ZINC000436892002 862068757 /nfs/dbraw/zinc/06/87/57/862068757.db2.gz JTRSOCXGFUASJO-UHFFFAOYSA-N -1 3 403.413 4.353 20 0 HIADHM CCOc1ccc(CCC2CCN(C(=O)c3cc(NC(C)=O)ccc3[O-])CC2)cc1 ZINC000055160082 849980368 /nfs/dbraw/zinc/98/03/68/849980368.db2.gz RWNNFWWFTWNRBA-UHFFFAOYSA-N -1 3 410.514 4.234 20 0 HIADHM C[C@@H](c1ccccc1)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436904871 862080357 /nfs/dbraw/zinc/08/03/57/862080357.db2.gz QTWLXUOSPNXNAS-MBSDFSHPSA-N -1 3 402.494 4.473 20 0 HIADHM CCCc1c(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000055408142 850015615 /nfs/dbraw/zinc/01/56/15/850015615.db2.gz OPFBZEJYMYGNON-UHFFFAOYSA-N -1 3 406.486 4.043 20 0 HIADHM CCOC(=O)c1sc2[n-]c(Cc3nc(-c4ccccc4)oc3C)nc(=O)c2c1C ZINC000055494174 850040941 /nfs/dbraw/zinc/04/09/41/850040941.db2.gz PJOPXVVGYKSEEP-UHFFFAOYSA-N -1 3 409.467 4.024 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCc2c1cccc2F ZINC000436907408 862085539 /nfs/dbraw/zinc/08/55/39/862085539.db2.gz SNKKWKVOYBMLBQ-DHIUTWEWSA-N -1 3 418.468 4.196 20 0 HIADHM CC(=O)c1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436909380 862087142 /nfs/dbraw/zinc/08/71/42/862087142.db2.gz AHSBQJHQFQOCAC-JOCHJYFZSA-N -1 3 402.450 4.095 20 0 HIADHM COc1cc(F)ccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436912328 862088589 /nfs/dbraw/zinc/08/85/89/862088589.db2.gz SOOXBIKOVFZIKO-HXUWFJFHSA-N -1 3 408.429 4.040 20 0 HIADHM Cc1ccccc1C[C@@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436911810 862088627 /nfs/dbraw/zinc/08/86/27/862088627.db2.gz REAMSFORVFBWOH-DVECYGJZSA-N -1 3 416.521 4.309 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCOC1CCCCC1 ZINC000436913230 862090589 /nfs/dbraw/zinc/09/05/89/862090589.db2.gz IPZGGXJZIVWCLT-HSZRJFAPSA-N -1 3 424.541 4.109 20 0 HIADHM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1Cl ZINC000055648277 850093535 /nfs/dbraw/zinc/09/35/35/850093535.db2.gz CNRBXVBMHPEEDO-UHFFFAOYSA-N -1 3 408.951 4.243 20 0 HIADHM C[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(F)cc1 ZINC000436916312 862096438 /nfs/dbraw/zinc/09/64/38/862096438.db2.gz VYEVLOZQHKSOBL-GAJHUEQPSA-N -1 3 420.484 4.312 20 0 HIADHM Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cccc(C)c2[O-])n1C ZINC000436917825 862098246 /nfs/dbraw/zinc/09/82/46/862098246.db2.gz CFBWXBJURBHWFU-UHFFFAOYSA-N -1 3 400.276 4.424 20 0 HIADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ncc(Br)cn1 ZINC000436918758 862101022 /nfs/dbraw/zinc/10/10/22/862101022.db2.gz IVMFOUHTPWIKIU-GFCCVEGCSA-N -1 3 414.259 4.228 20 0 HIADHM COc1cc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)ccc1OC1CCCC1 ZINC000055998145 850227471 /nfs/dbraw/zinc/22/74/71/850227471.db2.gz UTVLVVMXXIOQQH-OAHLLOKOSA-N -1 3 406.482 4.349 20 0 HIADHM CCCN(C[C@H]1CCCCO1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436925343 862106135 /nfs/dbraw/zinc/10/61/35/862106135.db2.gz INRIELRZQIJDHT-PKTZIBPZSA-N -1 3 424.541 4.061 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000436946427 862122532 /nfs/dbraw/zinc/12/25/32/862122532.db2.gz PNYZYYOCKKCHDY-UHFFFAOYSA-N -1 3 413.477 4.061 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2c(F)cccc2F)c1 ZINC000436948976 862124606 /nfs/dbraw/zinc/12/46/06/862124606.db2.gz IWDPHOOZPGPAAR-LLVKDONJSA-N -1 3 415.396 4.052 20 0 HIADHM COc1cccc(-c2nc(-c3ccc(Br)cc3OC(F)F)no2)c1[O-] ZINC000436951419 862128506 /nfs/dbraw/zinc/12/85/06/862128506.db2.gz QISYTMDMIDIIOO-UHFFFAOYSA-N -1 3 413.174 4.482 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2cc(C)ccc2C)c1 ZINC000436952772 862130688 /nfs/dbraw/zinc/13/06/88/862130688.db2.gz YIMLQANZCWVGEY-HNNXBMFYSA-N -1 3 407.470 4.391 20 0 HIADHM O=C(NCCc1nccn1Cc1ccccc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436952729 862131003 /nfs/dbraw/zinc/13/10/03/862131003.db2.gz YNMIOQAIURNUEV-UHFFFAOYSA-N -1 3 413.477 4.402 20 0 HIADHM O=C1C[C@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CN1CC1CCC1 ZINC000436952091 862131471 /nfs/dbraw/zinc/13/14/71/862131471.db2.gz USLMTKZJOIRKMS-SFHVURJKSA-N -1 3 419.481 4.137 20 0 HIADHM COc1ccccc1N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436953393 862133905 /nfs/dbraw/zinc/13/39/05/862133905.db2.gz OYTRHFHNUCAWNJ-UHFFFAOYSA-N -1 3 404.466 4.156 20 0 HIADHM O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000436958635 862139445 /nfs/dbraw/zinc/13/94/45/862139445.db2.gz CBXHHGCJUINHTF-UHFFFAOYSA-N -1 3 416.481 4.240 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2c(F)cccc2Cl)c1 ZINC000436968733 862148309 /nfs/dbraw/zinc/14/83/09/862148309.db2.gz WROIJIZIEYHBHR-SNVBAGLBSA-N -1 3 417.824 4.224 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1 ZINC000436972859 862150515 /nfs/dbraw/zinc/15/05/15/862150515.db2.gz VGLKNBKCBGWMLC-ZUOKHONESA-N -1 3 423.444 4.303 20 0 HIADHM O=C(CCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccc(F)cc1 ZINC000057476224 850648436 /nfs/dbraw/zinc/64/84/36/850648436.db2.gz QIMJQAAFPVGQAP-UHFFFAOYSA-N -1 3 408.458 4.415 20 0 HIADHM CC[C@H](CC(F)(F)F)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436976810 862154655 /nfs/dbraw/zinc/15/46/55/862154655.db2.gz CJMPBIVXKBPVSN-SJLPKXTDSA-N -1 3 408.420 4.101 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)c3ccc(F)cc3C[C@@H]2C)c1 ZINC000436978177 862157015 /nfs/dbraw/zinc/15/70/15/862157015.db2.gz HKTAQBDXVDJODJ-QWHCGFSZSA-N -1 3 423.444 4.228 20 0 HIADHM CCCCOc1ccc(C(=O)N2CCC(CCC(=O)N(CC)CC)CC2)c([O-])c1 ZINC000436990059 862166832 /nfs/dbraw/zinc/16/68/32/862166832.db2.gz SXKSAQGOOUQNDK-UHFFFAOYSA-N -1 3 404.551 4.072 20 0 HIADHM Cc1c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cccc1C(F)(F)F ZINC000437002205 862174022 /nfs/dbraw/zinc/17/40/22/862174022.db2.gz POWXWVBKWZONJS-UHFFFAOYSA-N -1 3 421.419 4.146 20 0 HIADHM CCNc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000437005951 862179573 /nfs/dbraw/zinc/17/95/73/862179573.db2.gz XGUYAGVMXJOMTI-UHFFFAOYSA-N -1 3 424.526 4.331 20 0 HIADHM CC(C)(C)OC(=O)N(CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000058914532 850957620 /nfs/dbraw/zinc/95/76/20/850957620.db2.gz APRDQWCLJAGRNJ-UHFFFAOYSA-N -1 3 423.362 4.061 20 0 HIADHM CCOc1cccc(C=C(Cl)c2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)c1 ZINC000059269851 850990230 /nfs/dbraw/zinc/99/02/30/850990230.db2.gz BYJLTWJTKPEQQT-LCYFTJDESA-N -1 3 404.875 4.215 20 0 HIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000060274978 851058379 /nfs/dbraw/zinc/05/83/79/851058379.db2.gz IDYPNUCWJONIRI-UHFFFAOYSA-N -1 3 405.495 4.343 20 0 HIADHM CN(C)c1ccc(CNC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)cc1F ZINC000060588003 851158290 /nfs/dbraw/zinc/15/82/90/851158290.db2.gz LEQLWDNQWPKNIK-UHFFFAOYSA-N -1 3 406.676 4.073 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H]2CC2CCCCC2)cc1OC ZINC000060974889 851264119 /nfs/dbraw/zinc/26/41/19/851264119.db2.gz QFAGIIWUVOPINR-GOSISDBHSA-N -1 3 423.579 4.424 20 0 HIADHM COc1ccc(-c2nnc(SCc3nc4c5ccccc5oc4c(=O)[n-]3)o2)cc1 ZINC000061126850 851298398 /nfs/dbraw/zinc/29/83/98/851298398.db2.gz PTKMLAFYHBDLGA-UHFFFAOYSA-N -1 3 406.423 4.433 20 0 HIADHM COCCn1c2ccccc2nc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000061130106 851299834 /nfs/dbraw/zinc/29/98/34/851299834.db2.gz CSCNTSYLSBUZIM-UHFFFAOYSA-N -1 3 406.467 4.370 20 0 HIADHM CC(C)(C)C[C@H]1CCCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000061528976 851395671 /nfs/dbraw/zinc/39/56/71/851395671.db2.gz XKMAQACWGGGPEK-CYBMUJFWSA-N -1 3 421.390 4.089 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cn3ccccc3n2)cc1 ZINC000063304774 851655968 /nfs/dbraw/zinc/65/59/68/851655968.db2.gz JYWNKQIQKOTDKT-UHFFFAOYSA-N -1 3 420.494 4.004 20 0 HIADHM Cc1cc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)ccc1Oc1ccc(F)cc1 ZINC000063784854 851761603 /nfs/dbraw/zinc/76/16/03/851761603.db2.gz PMSAMERFGQDIOS-UHFFFAOYSA-N -1 3 419.412 4.132 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)cc2)n1 ZINC000064342006 851875374 /nfs/dbraw/zinc/87/53/74/851875374.db2.gz YJZXXHGVZJQKMU-LBPRGKRZSA-N -1 3 418.280 4.458 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccccc3-c3ccccc3)cc2)n1 ZINC000064342835 851875589 /nfs/dbraw/zinc/87/55/89/851875589.db2.gz INUWXTRFKDUDOV-UHFFFAOYSA-N -1 3 411.461 4.430 20 0 HIADHM CCc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1-c1ccc(C)cc1 ZINC000064374105 851881546 /nfs/dbraw/zinc/88/15/46/851881546.db2.gz NVYWDGLFOLXUBK-UHFFFAOYSA-N -1 3 413.481 4.054 20 0 HIADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)C[C@H](C)O1 ZINC000064478283 851908103 /nfs/dbraw/zinc/90/81/03/851908103.db2.gz NANHBPGWLWSZTJ-KBPBESRZSA-N -1 3 414.449 4.120 20 0 HIADHM O=S(=O)([N-]c1ccc(Oc2ccncc2)cc1)c1ccc(Br)cc1 ZINC000065079944 852057104 /nfs/dbraw/zinc/05/71/04/852057104.db2.gz ITRJRWYXOJNKCO-UHFFFAOYSA-N -1 3 405.273 4.437 20 0 HIADHM Cc1c(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)nnn1-c1ccc(C)cc1 ZINC000065085869 852058851 /nfs/dbraw/zinc/05/88/51/852058851.db2.gz DPLZPSOXUABTCT-UHFFFAOYSA-N -1 3 404.499 4.272 20 0 HIADHM COC(=O)Nc1ccc(OC(=O)c2n[n-]c(-c3ccccc3)c2Br)cc1 ZINC000065107867 852067486 /nfs/dbraw/zinc/06/74/86/852067486.db2.gz MLBQQRBEASEWMF-UHFFFAOYSA-N -1 3 416.231 4.237 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(CC2CCCCC2)C2CC2)cc1OC ZINC000065816750 852266910 /nfs/dbraw/zinc/26/69/10/852266910.db2.gz LDCLRKFGQNCWRT-UHFFFAOYSA-N -1 3 409.552 4.033 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@@H]3c3cccs3)nc(=O)c2c1C ZINC000069248962 852388834 /nfs/dbraw/zinc/38/88/34/852388834.db2.gz GWHMZUCRMPGACP-CHWSQXEVSA-N -1 3 417.556 4.429 20 0 HIADHM Cc1c(=O)c2cccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c2oc1-c1ccccc1 ZINC000071845309 852416865 /nfs/dbraw/zinc/41/68/65/852416865.db2.gz BGXMGFLHQADGMQ-UHFFFAOYSA-N -1 3 414.343 4.158 20 0 HIADHM Cc1c(=O)c2cccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c2oc1-c1ccccc1 ZINC000071845309 852416867 /nfs/dbraw/zinc/41/68/67/852416867.db2.gz BGXMGFLHQADGMQ-UHFFFAOYSA-N -1 3 414.343 4.158 20 0 HIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1csc(-c2cc(Br)cs2)n1 ZINC000072004490 852460162 /nfs/dbraw/zinc/46/01/62/852460162.db2.gz DWKFGBIAIQQKMF-UHFFFAOYSA-N -1 3 424.227 4.023 20 0 HIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1csc(-c2cc(Br)cs2)n1 ZINC000072004490 852460166 /nfs/dbraw/zinc/46/01/66/852460166.db2.gz DWKFGBIAIQQKMF-UHFFFAOYSA-N -1 3 424.227 4.023 20 0 HIADHM Cc1csc(C2([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3F)CCCC2)n1 ZINC000079035583 852538598 /nfs/dbraw/zinc/53/85/98/852538598.db2.gz DQCPUBUCRXEZIT-UHFFFAOYSA-N -1 3 408.442 4.357 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)OCc3ccccc3)cc2)cc1 ZINC000106126058 852756529 /nfs/dbraw/zinc/75/65/29/852756529.db2.gz JULGAQJIOQRKER-GOSISDBHSA-N -1 3 424.522 4.340 20 0 HIADHM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c3cccc1c23 ZINC000108295136 852836983 /nfs/dbraw/zinc/83/69/83/852836983.db2.gz ABOSJJBPOAVCLT-UHFFFAOYSA-N -1 3 421.247 4.108 20 0 HIADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CCCCCC2)no1 ZINC000110938462 853171381 /nfs/dbraw/zinc/17/13/81/853171381.db2.gz GXTSEPSPUPTDJF-UHFFFAOYSA-N -1 3 418.346 4.354 20 0 HIADHM CN(Cc1nccn1CC(F)(F)F)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110967813 853175971 /nfs/dbraw/zinc/17/59/71/853175971.db2.gz OICBWIXXNNJOTL-UHFFFAOYSA-N -1 3 403.404 4.014 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CCC(F)(F)F)c2)cc1 ZINC000111085188 853198704 /nfs/dbraw/zinc/19/87/04/853198704.db2.gz ZLQUDZRCXSALAE-UHFFFAOYSA-N -1 3 414.449 4.129 20 0 HIADHM CC(C)c1nnc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)n1Cc1ccco1 ZINC000115392765 853251043 /nfs/dbraw/zinc/25/10/43/853251043.db2.gz RPRVSRWXDITOPM-UHFFFAOYSA-N -1 3 421.482 4.318 20 0 HIADHM COc1ccc(-c2nc(COC(=O)c3cc(-c4ccco4)[n-]n3)cs2)cc1OC ZINC000115646837 853257260 /nfs/dbraw/zinc/25/72/60/853257260.db2.gz IAOZUHSVYHQKTL-UHFFFAOYSA-N -1 3 411.439 4.167 20 0 HIADHM COc1ccc(-c2nc(COC(=O)c3cc(-c4ccco4)n[n-]3)cs2)cc1OC ZINC000115646837 853257265 /nfs/dbraw/zinc/25/72/65/853257265.db2.gz IAOZUHSVYHQKTL-UHFFFAOYSA-N -1 3 411.439 4.167 20 0 HIADHM COc1nc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc2ccccc21 ZINC000146763475 853576453 /nfs/dbraw/zinc/57/64/53/853576453.db2.gz TYGOZAXOVMQGBV-LLVKDONJSA-N -1 3 409.467 4.076 20 0 HIADHM COc1ccc([O-])c(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c1 ZINC000219147292 853867859 /nfs/dbraw/zinc/86/78/59/853867859.db2.gz VIQFRVQRARVEOO-UHFFFAOYSA-N -1 3 422.506 4.222 20 0 HIADHM [O-]c1c(Br)cc(CNCc2ccc(F)c(F)c2)cc1Br ZINC000221135674 853875017 /nfs/dbraw/zinc/87/50/17/853875017.db2.gz HRWNUOCHBHVTHR-UHFFFAOYSA-N -1 3 407.052 4.485 20 0 HIADHM Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000248122075 854180769 /nfs/dbraw/zinc/18/07/69/854180769.db2.gz YECUAJPGUBEBMR-UHFFFAOYSA-N -1 3 412.375 4.237 20 0 HIADHM Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000248122075 854180777 /nfs/dbraw/zinc/18/07/77/854180777.db2.gz YECUAJPGUBEBMR-UHFFFAOYSA-N -1 3 412.375 4.237 20 0 HIADHM CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc(Cl)c1[O-] ZINC000254379858 854210364 /nfs/dbraw/zinc/21/03/64/854210364.db2.gz LOJKEHNBZSQZMX-UHFFFAOYSA-N -1 3 417.676 4.280 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1 ZINC000261447036 854265425 /nfs/dbraw/zinc/26/54/25/854265425.db2.gz KLJVVFZVEDJPIY-LLVKDONJSA-N -1 3 413.474 4.413 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(Br)s3)nc2)n1 ZINC000301155354 854314933 /nfs/dbraw/zinc/31/49/33/854314933.db2.gz BMIGUHSQZINFCW-UHFFFAOYSA-N -1 3 405.321 4.285 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](O)c3cc(Cl)cc(Cl)c3)nc2)n1 ZINC000301290724 854349730 /nfs/dbraw/zinc/34/97/30/854349730.db2.gz PAYAFKXMYPCHIN-INIZCTEOSA-N -1 3 405.285 4.259 20 0 HIADHM Cc1nc(-c2ccc(N3CCc4cccc(Br)c4C3)nc2)[n-]c(=O)c1C ZINC000301401559 854383240 /nfs/dbraw/zinc/38/32/40/854383240.db2.gz QKHZXGNURJNDBR-UHFFFAOYSA-N -1 3 411.303 4.186 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3c3cc(OC)ccc3OC)nc2)n1 ZINC000301513377 854410638 /nfs/dbraw/zinc/41/06/38/854410638.db2.gz JCEKRQQEJDPGCJ-IBGZPJMESA-N -1 3 406.486 4.165 20 0 HIADHM [O-]c1ccc(CNc2ccc3nnc(-c4ccccc4F)n3n2)cc1Br ZINC000301700800 854448316 /nfs/dbraw/zinc/44/83/16/854448316.db2.gz POUPCOWSUXPLFC-UHFFFAOYSA-N -1 3 414.238 4.011 20 0 HIADHM CCOc1ccc(C2=CCN(c3ccc(-c4nc(CC)cc(=O)[n-]4)cn3)CC2)cc1 ZINC000301925794 854494315 /nfs/dbraw/zinc/49/43/15/854494315.db2.gz LKYKULYESLTOOF-UHFFFAOYSA-N -1 3 402.498 4.499 20 0 HIADHM Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000302220136 854552944 /nfs/dbraw/zinc/55/29/44/854552944.db2.gz FFGALVMMHKQQBP-UHFFFAOYSA-N -1 3 412.375 4.237 20 0 HIADHM Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000302220136 854552946 /nfs/dbraw/zinc/55/29/46/854552946.db2.gz FFGALVMMHKQQBP-UHFFFAOYSA-N -1 3 412.375 4.237 20 0 HIADHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000302926073 854683403 /nfs/dbraw/zinc/68/34/03/854683403.db2.gz ALGGQQLIDHNZBI-OAHLLOKOSA-N -1 3 407.750 4.228 20 0 HIADHM CCc1onc(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000302960950 854697450 /nfs/dbraw/zinc/69/74/50/854697450.db2.gz DUAZTNNSOJNQGX-UHFFFAOYSA-N -1 3 413.499 4.215 20 0 HIADHM CCn1c(SCC(=O)Nc2cc(Cl)ccc2[O-])nnc1-c1cccc(C)c1 ZINC000303399607 854908197 /nfs/dbraw/zinc/90/81/97/854908197.db2.gz OOXHDLPQLSLUQG-UHFFFAOYSA-N -1 3 402.907 4.363 20 0 HIADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000303501966 854990957 /nfs/dbraw/zinc/99/09/57/854990957.db2.gz MOQIRUAAARLEPI-FQEVSTJZSA-N -1 3 420.550 4.372 20 0 HIADHM CCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000303761880 855180593 /nfs/dbraw/zinc/18/05/93/855180593.db2.gz ACOGPQKNBMJTKJ-UHFFFAOYSA-N -1 3 412.486 4.119 20 0 HIADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000303768131 855186581 /nfs/dbraw/zinc/18/65/81/855186581.db2.gz GPKCKSMWEUEVSI-UHFFFAOYSA-N -1 3 422.417 4.118 20 0 HIADHM O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000303780190 855194894 /nfs/dbraw/zinc/19/48/94/855194894.db2.gz GPXYEUCRMHNKMI-NRFANRHFSA-N -1 3 408.498 4.095 20 0 HIADHM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1cnc(Cl)c(F)c1 ZINC000312303021 855372302 /nfs/dbraw/zinc/37/23/02/855372302.db2.gz BHPJFCQEEWWMQT-UHFFFAOYSA-N -1 3 400.056 4.091 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)ccc1Br ZINC000324713858 855400640 /nfs/dbraw/zinc/40/06/40/855400640.db2.gz BPWUQNZUFHRPIP-UHFFFAOYSA-N -1 3 424.238 4.499 20 0 HIADHM Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000389881159 855452371 /nfs/dbraw/zinc/45/23/71/855452371.db2.gz GDSNWXRDDFJSKQ-UHFFFAOYSA-N -1 3 406.704 4.071 20 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20 0 HIADHM O=C([O-])[C@H](Cc1cccc(Br)c1)NCc1csc(-c2cccs2)n1 ZINC000426764551 856464976 /nfs/dbraw/zinc/46/49/76/856464976.db2.gz XHTWMKGGOSVUPF-AWEZNQCLSA-N -1 3 423.357 4.420 20 0 HIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Br)c(C)c2)cc1OC ZINC000426796906 856483327 /nfs/dbraw/zinc/48/33/27/856483327.db2.gz DWBFZCUAPHAIGT-MRXNPFEDSA-N -1 3 408.292 4.080 20 0 HIADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C)c(Br)c2)cc1OC ZINC000426796578 856483933 /nfs/dbraw/zinc/48/39/33/856483933.db2.gz BITNCUKQISCFGN-INIZCTEOSA-N -1 3 408.292 4.080 20 0 HIADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)ccc1OCC(F)(F)F ZINC000426814746 856493443 /nfs/dbraw/zinc/49/34/43/856493443.db2.gz AYVNIJRILWALQS-QGZVFWFLSA-N -1 3 401.356 4.081 20 0 HIADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)ccc1OCc1cccs1 ZINC000426824375 856499819 /nfs/dbraw/zinc/49/98/19/856499819.db2.gz HUMPEPZOMWBHDH-FQEVSTJZSA-N -1 3 401.459 4.390 20 0 HIADHM O=C([O-])[C@@H](NCc1cccc(OC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000426826282 856501284 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HIADHM Cc1ccc(SC2CCCC2)c(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1 ZINC000427873620 856989487 /nfs/dbraw/zinc/98/94/87/856989487.db2.gz ZWNNERKWERJMQM-UHFFFAOYSA-N -1 3 411.527 4.178 20 0 HIADHM Cc1ccc(C(=O)N(C)CCC2CC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000437519393 862863818 /nfs/dbraw/zinc/86/38/18/862863818.db2.gz YYEHYPRFUZWJFQ-UHFFFAOYSA-N -1 3 424.925 4.460 20 0 HIADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(Cl)c(Br)c1 ZINC000428236705 857121392 /nfs/dbraw/zinc/12/13/92/857121392.db2.gz IRSYVHCXBPOMQJ-UHFFFAOYSA-N -1 3 412.696 4.089 20 0 HIADHM COc1ccc(NC(=O)CC(C)(F)F)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000428355026 857170100 /nfs/dbraw/zinc/17/01/00/857170100.db2.gz NDHURTSRQNACKZ-UHFFFAOYSA-N -1 3 418.849 4.133 20 0 HIADHM O=C(Cc1csc(-c2cccc(F)c2)n1)NCc1ccc([O-])c(Br)c1 ZINC000428868119 857378470 /nfs/dbraw/zinc/37/84/70/857378470.db2.gz SXNBVBZTVKQHHJ-UHFFFAOYSA-N -1 3 421.291 4.276 20 0 HIADHM COc1cccc(-c2c[nH]cc2C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000428871776 857381113 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O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(Br)c(Cl)c1 ZINC000431154646 858474828 /nfs/dbraw/zinc/47/48/28/858474828.db2.gz XGKUHUWKCDUTJP-UHFFFAOYSA-N -1 3 400.603 4.321 20 0 HIADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431631617 858701461 /nfs/dbraw/zinc/70/14/61/858701461.db2.gz SARUYGQJLGXZIZ-HNNXBMFYSA-N -1 3 420.275 4.051 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](COCc4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000437736175 863064437 /nfs/dbraw/zinc/06/44/37/863064437.db2.gz MKTXDJNFZYFWRR-IBGZPJMESA-N -1 3 418.497 4.228 20 0 HIADHM COc1ccc(Br)c(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c1 ZINC000432053445 858952096 /nfs/dbraw/zinc/95/20/96/858952096.db2.gz GFVHHGOEGCDQOF-UHFFFAOYSA-N -1 3 418.696 4.115 20 0 HIADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)cc21 ZINC000432072029 858967041 /nfs/dbraw/zinc/96/70/41/858967041.db2.gz ONUXAHATVRFZRH-UHFFFAOYSA-N -1 3 407.772 4.428 20 0 HIADHM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C)c(OC)cc3C)c2)n1 ZINC000432174388 859030696 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HIADHM Cc1cc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)n2)ccn1 ZINC000432680808 859290053 /nfs/dbraw/zinc/29/00/53/859290053.db2.gz LCTPGYOJYMLLGD-UHFFFAOYSA-N -1 3 410.430 4.047 20 0 HIADHM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432762381 859341709 /nfs/dbraw/zinc/34/17/09/859341709.db2.gz GBTSTRNWRPMKHJ-UHFFFAOYSA-N -1 3 409.511 4.114 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1C(C)C ZINC000432765738 859345522 /nfs/dbraw/zinc/34/55/22/859345522.db2.gz CXEXNXUNUXLRML-AREMUKBSSA-N -1 3 409.573 4.115 20 0 HIADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cc(C(C)C)c(OC)cc3C)ccc2[nH]1 ZINC000432783330 859358716 /nfs/dbraw/zinc/35/87/16/859358716.db2.gz YWEGRBKDWNVJBX-UHFFFAOYSA-N -1 3 414.527 4.332 20 0 HIADHM CC(C)Oc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(-c4ccncc4)n3)cs2)cc1 ZINC000433107486 859523833 /nfs/dbraw/zinc/52/38/33/859523833.db2.gz WQGRTCNFKSDQMU-UHFFFAOYSA-N -1 3 406.471 4.030 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000433627364 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O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Sc1ccccc1 ZINC000467509610 881324423 /nfs/dbraw/zinc/32/44/23/881324423.db2.gz CENGJPVDKMJKBW-UHFFFAOYSA-N -1 3 405.458 4.087 20 0 HIADHM NC(=O)c1cccc(Oc2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc2)c1 ZINC000469080805 883166593 /nfs/dbraw/zinc/16/65/93/883166593.db2.gz UELJJRUPVWEMMB-UHFFFAOYSA-N -1 3 408.429 4.384 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000469147199 883243564 /nfs/dbraw/zinc/24/35/64/883243564.db2.gz UTIIBNSSOWBMSN-UHFFFAOYSA-N -1 3 422.460 4.209 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(Cc2nnc3ccccn32)cc1 ZINC000469267088 883363929 /nfs/dbraw/zinc/36/39/29/883363929.db2.gz UKULFRSZWXMRAS-UHFFFAOYSA-N -1 3 404.445 4.126 20 0 HIADHM Cc1cc(-c2noc([C@@H](C)NC(=O)CCCc3ccc([O-])c(F)c3)n2)ccc1F ZINC000469275073 883373482 /nfs/dbraw/zinc/37/34/82/883373482.db2.gz ZLVRYTJWDNQPAH-CYBMUJFWSA-N -1 3 401.413 4.229 20 0 HIADHM CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469314925 883417386 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O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000473933759 888813244 /nfs/dbraw/zinc/81/32/44/888813244.db2.gz SQPSETDFXRTQIA-UHFFFAOYSA-N -1 3 422.448 4.365 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000473933759 888813247 /nfs/dbraw/zinc/81/32/47/888813247.db2.gz SQPSETDFXRTQIA-UHFFFAOYSA-N -1 3 422.448 4.365 20 0 HIADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc2nc(C(F)(F)F)cn2c1 ZINC000474379134 889254020 /nfs/dbraw/zinc/25/40/20/889254020.db2.gz YEFYGQANBFTHNI-UHFFFAOYSA-N -1 3 400.154 4.074 20 0 HIADHM CCCOc1ccc(-c2csc(NC(=O)c3c(C)[n-]c(=O)nc3SC)n2)cc1 ZINC000474573141 889447682 /nfs/dbraw/zinc/44/76/82/889447682.db2.gz FHZQWTXSEVPMGF-UHFFFAOYSA-N -1 3 416.528 4.377 20 0 HIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000474821002 889674853 /nfs/dbraw/zinc/67/48/53/889674853.db2.gz IKMXUZQGZSOCTQ-MUUNZHRXSA-N -1 3 419.572 4.046 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4c([nH]3)c(F)ccc4OC)c2)n1 ZINC000474901407 889761258 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CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000479426249 894738017 /nfs/dbraw/zinc/73/80/17/894738017.db2.gz QGSUEHHIHKSCEN-UHFFFAOYSA-N -1 3 403.891 4.428 20 0 HIADHM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1ccc(CC(F)(F)F)cc1 ZINC000479595815 894876468 /nfs/dbraw/zinc/87/64/68/894876468.db2.gz XBOMYDXUSFVDLL-UHFFFAOYSA-N -1 3 402.413 4.332 20 0 HIADHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)CCO1 ZINC000479968608 895322092 /nfs/dbraw/zinc/32/20/92/895322092.db2.gz PQMNDUXTQHRLCW-TZMCWYRMSA-N -1 3 410.399 4.081 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](C)[C@@H]3C)c2)cc1 ZINC000480139389 895519669 /nfs/dbraw/zinc/51/96/69/895519669.db2.gz DBLYTAPXIIRQNU-WBVHZDCISA-N -1 3 416.543 4.065 20 0 HIADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cnc(-c2ccccc2F)s1 ZINC000480139657 895519708 /nfs/dbraw/zinc/51/97/08/895519708.db2.gz MODPJOCMRJEWIS-UHFFFAOYSA-N -1 3 413.865 4.495 20 0 HIADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1csc(Cc2ccccc2)n1 ZINC000480145982 895527127 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CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(Br)cc2Cl)c1 ZINC000482347640 897858325 /nfs/dbraw/zinc/85/83/25/897858325.db2.gz DNRHSGLZUCUVFB-UHFFFAOYSA-N -1 3 411.683 4.039 20 0 HIADHM CC(C)c1ccccc1OCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482358448 897875094 /nfs/dbraw/zinc/87/50/94/897875094.db2.gz BASICOMRUBWANG-UHFFFAOYSA-N -1 3 407.308 4.156 20 0 HIADHM Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cnc2ccccc12 ZINC000482498532 898079549 /nfs/dbraw/zinc/07/95/49/898079549.db2.gz KLVPEOXARDNBHT-UHFFFAOYSA-N -1 3 423.416 4.186 20 0 HIADHM C[C@@H](S[C@@H]1CCN(C2CC2)C1=O)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000482539499 898126791 /nfs/dbraw/zinc/12/67/91/898126791.db2.gz WTGZUSGSKBHWDL-QMTHXVAHSA-N -1 3 401.513 4.214 20 0 HIADHM Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482571147 898167417 /nfs/dbraw/zinc/16/74/17/898167417.db2.gz AWFUITPRJSPZAN-MJGOQNOKSA-N -1 3 419.319 4.183 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000482648926 898252574 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20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000483202154 898856893 /nfs/dbraw/zinc/85/68/93/898856893.db2.gz QTDMCMZRTDZKJL-CQSZACIVSA-N -1 3 401.820 4.208 20 0 HIADHM CC[C@H](C)[C@H](OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000483343523 898975123 /nfs/dbraw/zinc/97/51/23/898975123.db2.gz FJNXRSPUIJEUNF-XOBRGWDASA-N -1 3 404.532 4.104 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)C3CCCCC3)c2)n1 ZINC000484097161 899726580 /nfs/dbraw/zinc/72/65/80/899726580.db2.gz QYBQGNXYJBRZMX-CVEARBPZSA-N -1 3 424.545 4.071 20 0 HIADHM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(F)cc1Br ZINC000484748615 900169642 /nfs/dbraw/zinc/16/96/42/900169642.db2.gz FACPLUSPJWONHI-ONGXEEELSA-N -1 3 418.250 4.235 20 0 HIADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 ZINC000484931453 900304762 /nfs/dbraw/zinc/30/47/62/900304762.db2.gz CZEUUEQONJKPSA-ZDUSSCGKSA-N -1 3 410.536 4.267 20 0 HIADHM Cc1noc2nc(-c3ccccc3)cc(C(=O)[N-]c3nnc(CC(F)(F)F)s3)c12 ZINC000484979521 900335606 /nfs/dbraw/zinc/33/56/06/900335606.db2.gz VAPFUMICOJISLB-UHFFFAOYSA-N -1 3 419.388 4.407 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(F)c(F)c(F)c3)cc2)cc1 ZINC000484992149 900345655 /nfs/dbraw/zinc/34/56/55/900345655.db2.gz KARNRQWIRNOCDD-UHFFFAOYSA-N -1 3 420.412 4.465 20 0 HIADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccccc1NCc1cccnc1 ZINC000485090787 900403218 /nfs/dbraw/zinc/40/32/18/900403218.db2.gz FDBZQJKAIWSTLU-UHFFFAOYSA-N -1 3 410.437 4.477 20 0 HIADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccccc1NCc1cccnc1 ZINC000485090787 900403225 /nfs/dbraw/zinc/40/32/25/900403225.db2.gz FDBZQJKAIWSTLU-UHFFFAOYSA-N -1 3 410.437 4.477 20 0 HIADHM CC(C)(C)c1noc2ncc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cc21 ZINC000485107511 900414825 /nfs/dbraw/zinc/41/48/25/900414825.db2.gz LTPIQCJFLYZWHA-UHFFFAOYSA-N -1 3 402.414 4.304 20 0 HIADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(Br)cc1F ZINC000485111895 900417864 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4.135 20 0 HIADHM CCCCc1nc(NC(=O)Cc2csc(-c3cccs3)n2)c(C(=O)OCC)[n-]1 ZINC000485702986 900951579 /nfs/dbraw/zinc/95/15/79/900951579.db2.gz RZKYGNSMVYSWEI-UHFFFAOYSA-N -1 3 418.544 4.295 20 0 HIADHM CCCCc1nc(NC(=O)c2sc(-c3ccccn3)nc2C)c(C(=O)OCC)[n-]1 ZINC000485708649 900957215 /nfs/dbraw/zinc/95/72/15/900957215.db2.gz IBHISBGIVGVWAQ-UHFFFAOYSA-N -1 3 413.503 4.008 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cc(COC(C)(C)C)on1 ZINC000485961816 901178949 /nfs/dbraw/zinc/17/89/49/901178949.db2.gz XZSGGMHEFNYISA-UHFFFAOYSA-N -1 3 412.895 4.176 20 0 HIADHM O=c1cc(C=Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)nc(-c2ccncc2)[n-]1 ZINC000485972214 901189797 /nfs/dbraw/zinc/18/97/97/901189797.db2.gz CZURRTVXYSXRPM-DAFODLJHSA-N -1 3 409.371 4.207 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCc2cccc(Cl)c2)CC1 ZINC000505871964 914519453 /nfs/dbraw/zinc/51/94/53/914519453.db2.gz NHAYXKWIXWMKHH-UHFFFAOYSA-N -1 3 422.312 4.259 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000486210812 901394548 /nfs/dbraw/zinc/39/45/48/901394548.db2.gz CIILQHDMPVRYFV-JQWIXIFHSA-N -1 3 409.246 4.323 20 0 HIADHM COc1ccc([C@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000486427781 901587057 /nfs/dbraw/zinc/58/70/57/901587057.db2.gz IZRFDAVOCBMHQA-QGZVFWFLSA-N -1 3 405.292 4.210 20 0 HIADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486629096 901763100 /nfs/dbraw/zinc/76/31/00/901763100.db2.gz LZLJPWZTEHCUMZ-IUODEOHRSA-N -1 3 407.283 4.381 20 0 HIADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486629095 901763303 /nfs/dbraw/zinc/76/33/03/901763303.db2.gz LZLJPWZTEHCUMZ-DOMZBBRYSA-N -1 3 407.283 4.381 20 0 HIADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n[nH]1 ZINC000486634870 901765987 /nfs/dbraw/zinc/76/59/87/901765987.db2.gz JFSWNTWTHLRKJH-YUMQZZPRSA-N -1 3 411.742 4.318 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000486639242 901769163 /nfs/dbraw/zinc/76/91/63/901769163.db2.gz JSALEULXKJGJCO-INIZCTEOSA-N -1 3 407.283 4.211 20 0 HIADHM CCCN(CCc1cccc(F)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486654963 901777041 /nfs/dbraw/zinc/77/70/41/901777041.db2.gz VLZHIZYMQWIAOA-UHFFFAOYSA-N -1 3 409.299 4.458 20 0 HIADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1nc(C(F)(F)F)cs1 ZINC000486823540 901876640 /nfs/dbraw/zinc/87/66/40/901876640.db2.gz KCPOHZMJJCJVPP-YFKPBYRVSA-N -1 3 421.285 4.025 20 0 HIADHM COc1ccc([C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)c2ccccc2OC)cc1 ZINC000505978245 914640330 /nfs/dbraw/zinc/64/03/30/914640330.db2.gz ACZCTKFECJVXGP-HSZRJFAPSA-N -1 3 414.461 4.065 20 0 HIADHM COc1ccc(CSc2nnc(S[C@H](C)c3nc(C)cc(=O)[n-]3)s2)cc1 ZINC000488544188 902877145 /nfs/dbraw/zinc/87/71/45/902877145.db2.gz NDTJLGUVTKWNBB-LLVKDONJSA-N -1 3 406.558 4.496 20 0 HIADHM Cc1cccc(CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1Cl ZINC000488817056 903021122 /nfs/dbraw/zinc/02/11/22/903021122.db2.gz DKSFRFPZIOSNIL-UHFFFAOYSA-N -1 3 421.324 4.427 20 0 HIADHM O=S(=O)([N-]Cc1cccnc1OC1CCCC1)c1ccc(F)cc1C(F)(F)F ZINC000488887532 903058200 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Cc1nc(S(=O)(=O)Cc2ccn(-c3ccc(Cl)cc3)n2)[n-]c1-c1ccccc1 ZINC000490446088 904015152 /nfs/dbraw/zinc/01/51/52/904015152.db2.gz PBYNNXOBRHBNKU-UHFFFAOYSA-N -1 3 412.902 4.198 20 0 HIADHM Cc1[n-]c(S(=O)(=O)Cc2ccn(-c3ccc(Cl)cc3)n2)nc1-c1ccccc1 ZINC000490446088 904015167 /nfs/dbraw/zinc/01/51/67/904015167.db2.gz PBYNNXOBRHBNKU-UHFFFAOYSA-N -1 3 412.902 4.198 20 0 HIADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)sc1C ZINC000491578996 904659643 /nfs/dbraw/zinc/65/96/43/904659643.db2.gz MBVDJDRQGSYDMC-UHFFFAOYSA-N -1 3 400.953 4.071 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC3CCCC3)c2)cc1 ZINC000492077686 904790337 /nfs/dbraw/zinc/79/03/37/904790337.db2.gz FFTCPDHCZRCHMR-UHFFFAOYSA-N -1 3 416.543 4.115 20 0 HIADHM O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cc([O-])ccc1Cl ZINC000492372958 904839803 /nfs/dbraw/zinc/83/98/03/904839803.db2.gz CLZBTQQHTUBMFX-HXUWFJFHSA-N -1 3 407.857 4.341 20 0 HIADHM O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000493367788 905095753 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Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c(F)ccc(Br)c3F)cc2)n1 ZINC000495096903 906236650 /nfs/dbraw/zinc/23/66/50/906236650.db2.gz DIFVYKLPONJXBU-UHFFFAOYSA-N -1 3 420.213 4.038 20 0 HIADHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1c(F)cccc1F ZINC000495162462 906278224 /nfs/dbraw/zinc/27/82/24/906278224.db2.gz ZETRXOPOORQOCN-VIFPVBQESA-N -1 3 422.375 4.097 20 0 HIADHM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000495171510 906285645 /nfs/dbraw/zinc/28/56/45/906285645.db2.gz HYNHRJVAFXXWMU-LLVKDONJSA-N -1 3 410.890 4.188 20 0 HIADHM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000495171510 906285662 /nfs/dbraw/zinc/28/56/62/906285662.db2.gz HYNHRJVAFXXWMU-LLVKDONJSA-N -1 3 410.890 4.188 20 0 HIADHM Cc1cc(NC(=O)c2cc([O-])ccc2Cl)nn1CCCOc1ccc(F)cc1 ZINC000495427549 906445155 /nfs/dbraw/zinc/44/51/55/906445155.db2.gz QEKPSRGMAPUQLH-UHFFFAOYSA-N -1 3 403.841 4.411 20 0 HIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000497970006 907440087 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20 0 HIADHM O=c1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)[n-]c2sc3c(c21)CCCC3 ZINC000498691587 908119249 /nfs/dbraw/zinc/11/92/49/908119249.db2.gz DRMFJHIQSRXXHK-UHFFFAOYSA-N -1 3 408.932 4.044 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000498825087 908234418 /nfs/dbraw/zinc/23/44/18/908234418.db2.gz SZAILXOOWBSIRH-UHFFFAOYSA-N -1 3 424.476 4.028 20 0 HIADHM C[C@@H]1CC[C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@@H](C)C1 ZINC000499140430 908498001 /nfs/dbraw/zinc/49/80/01/908498001.db2.gz WCBBTVRHOIOUBN-ZRGWGRIASA-N -1 3 404.507 4.181 20 0 HIADHM O=S(=O)([N-][C@H](C[C@H]1CCOC1)c1ccccc1)c1csc(-c2ccccc2)n1 ZINC000512984494 921454134 /nfs/dbraw/zinc/45/41/34/921454134.db2.gz GMCARKMQHCWMRY-VQIMIIECSA-N -1 3 414.552 4.256 20 0 HIADHM O=S(=O)([N-][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000513009651 921474825 /nfs/dbraw/zinc/47/48/25/921474825.db2.gz UFEIPUODMCSTHM-GUYCJALGSA-N -1 3 417.424 4.291 20 0 HIADHM O=S(=O)([N-][C@@H](C[C@H]1CCOC1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000513026035 921486942 /nfs/dbraw/zinc/48/69/42/921486942.db2.gz NMAKWYPPJNVEPV-DYVFJYSZSA-N -1 3 400.327 4.440 20 0 HIADHM O=S(=O)([N-][C@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000513026037 921487264 /nfs/dbraw/zinc/48/72/64/921487264.db2.gz NMAKWYPPJNVEPV-SUMWQHHRSA-N -1 3 400.327 4.440 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCn2c(cc3ccccc32)C1 ZINC000500178065 909669683 /nfs/dbraw/zinc/66/96/83/909669683.db2.gz JKRQOSMZFOVKSE-UHFFFAOYSA-N -1 3 414.303 4.225 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sc(-c4ccccn4)nc3C)c2)n1 ZINC000500349906 909805930 /nfs/dbraw/zinc/80/59/30/909805930.db2.gz SIDLJBURYCLKEG-UHFFFAOYSA-N -1 3 417.494 4.491 20 0 HIADHM O=S(=O)([N-][C@H]1CCSc2ccc(F)cc21)c1cc(Br)ccc1F ZINC000500639536 909985322 /nfs/dbraw/zinc/98/53/22/909985322.db2.gz HKROWAZDMSRRAQ-ZDUSSCGKSA-N -1 3 420.300 4.243 20 0 HIADHM O=S(=O)([N-][C@@H]1CCSc2ccc(F)cc21)c1cc(Br)ccc1F ZINC000500639535 909985444 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CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436546474 861845838 /nfs/dbraw/zinc/84/58/38/861845838.db2.gz OWLBWBROQQSICL-OAHLLOKOSA-N -1 3 406.438 4.410 20 0 HIADHM CC(C)c1csc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436552832 861848803 /nfs/dbraw/zinc/84/88/03/861848803.db2.gz ANMGISNCUQSHLS-LJQANCHMSA-N -1 3 423.538 4.150 20 0 HIADHM CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436553772 861848820 /nfs/dbraw/zinc/84/88/20/861848820.db2.gz CPRUXDLJSUUTND-QGZVFWFLSA-N -1 3 406.486 4.377 20 0 HIADHM CC(C)(C)OC1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436555474 861849681 /nfs/dbraw/zinc/84/96/81/861849681.db2.gz JEDWSCQQKLEIGY-QFIPXVFZSA-N -1 3 424.541 4.060 20 0 HIADHM CC(C)n1cnnc1C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436556629 861849822 /nfs/dbraw/zinc/84/98/22/861849822.db2.gz OQPFNGSMOVKEOY-UHFFFAOYSA-N -1 3 418.541 4.370 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCS[C@@H]2CCCC[C@@H]21 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CO[C@H](C)c1noc(CCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1 ZINC000436611236 861869387 /nfs/dbraw/zinc/86/93/87/861869387.db2.gz ZKFPMOZQHDZIBQ-GFCCVEGCSA-N -1 3 424.482 4.331 20 0 HIADHM Cc1cccc2c1N(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)CC2 ZINC000436622591 861873249 /nfs/dbraw/zinc/87/32/49/861873249.db2.gz HBBZUDHNUMGNOF-JOCHJYFZSA-N -1 3 400.478 4.151 20 0 HIADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436622528 861873615 /nfs/dbraw/zinc/87/36/15/861873615.db2.gz DEJIGTPPZYSWBV-PGRDOPGGSA-N -1 3 421.541 4.323 20 0 HIADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436625063 861874094 /nfs/dbraw/zinc/87/40/94/861874094.db2.gz NSVPFTAUGLVGMP-KNQAVFIVSA-N -1 3 422.569 4.334 20 0 HIADHM C[C@H]1c2ccsc2CCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436627920 861874560 /nfs/dbraw/zinc/87/45/60/861874560.db2.gz YZHUJPKYIXREAW-HRAATJIYSA-N -1 3 420.534 4.461 20 0 HIADHM C[C@@H](c1cccc(O)c1)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436631008 861874936 /nfs/dbraw/zinc/87/49/36/861874936.db2.gz RONACEBNJIZWNR-GAJHUEQPSA-N -1 3 418.493 4.179 20 0 HIADHM CSc1ccccc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436628370 861875042 /nfs/dbraw/zinc/87/50/42/861875042.db2.gz PRFBZPMSCJHGQK-UHFFFAOYSA-N -1 3 413.524 4.313 20 0 HIADHM Cc1cc2cc(NC(=O)Cc3csc(NC(=O)c4cc(C)ccc4[O-])n3)ccc2[nH]1 ZINC000436637524 861877436 /nfs/dbraw/zinc/87/74/36/861877436.db2.gz YXBHQNUREDJDKY-UHFFFAOYSA-N -1 3 420.494 4.380 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@@H](C)[C@H]3c3ccccc3)cs2)c1 ZINC000436640415 861879199 /nfs/dbraw/zinc/87/91/99/861879199.db2.gz WIMDZLRENROPQP-VFNWGFHPSA-N -1 3 421.522 4.172 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000436645908 861880275 /nfs/dbraw/zinc/88/02/75/861880275.db2.gz FFPNYBKOQOZDNX-OAQYLSRUSA-N -1 3 407.432 4.097 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@](CO)(c2ccccc2)C1 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IMFZIJLQFDHROX-UHFFFAOYSA-N -1 3 406.822 4.187 20 0 HIADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)c([O-])c2O1 ZINC000436682801 861893320 /nfs/dbraw/zinc/89/33/20/861893320.db2.gz RWUSZXWKXHSCJK-UHFFFAOYSA-N -1 3 403.438 4.005 20 0 HIADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1c(Cl)cccc1Cl ZINC000436699181 861896572 /nfs/dbraw/zinc/89/65/72/861896572.db2.gz QLWDCOPNPLIRDM-GUYCJALGSA-N -1 3 421.324 4.224 20 0 HIADHM COc1ccc([C@H](CNC(=O)c2ccc(O)cc2[O-])c2c[nH]c3ccccc32)cc1 ZINC000436709627 861898595 /nfs/dbraw/zinc/89/85/95/861898595.db2.gz YSWPOWACXCJIFR-FQEVSTJZSA-N -1 3 402.450 4.150 20 0 HIADHM COCC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000436712838 861899604 /nfs/dbraw/zinc/89/96/04/861899604.db2.gz PENDSLVFKWUKCJ-QGZVFWFLSA-N -1 3 411.285 4.165 20 0 HIADHM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cc2c(cc1[O-])OCO2 ZINC000436726502 861911454 /nfs/dbraw/zinc/91/14/54/861911454.db2.gz YMEDYBUCNACJDV-IBGZPJMESA-N -1 3 423.387 4.037 20 0 HIADHM COc1cccc(CN(C)C(=O)c2c([O-])cccc2O)c1OCc1ccccc1F ZINC000436743420 861928508 /nfs/dbraw/zinc/92/85/08/861928508.db2.gz GZDJMWNXGXSKQU-UHFFFAOYSA-N -1 3 411.429 4.097 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1Cc2cccc(Cl)c2C1 ZINC000436744814 861928943 /nfs/dbraw/zinc/92/89/43/861928943.db2.gz PXESQEDJHLDBQZ-QFIPXVFZSA-N -1 3 420.896 4.449 20 0 HIADHM O=C(NC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1)c1ccccc1 ZINC000436753808 861938919 /nfs/dbraw/zinc/93/89/19/861938919.db2.gz GGJFHWFSESZVQC-UHFFFAOYSA-N -1 3 414.505 4.018 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4cc(OC)ccc4nc3C)c2)n1 ZINC000046065911 848779765 /nfs/dbraw/zinc/77/97/65/848779765.db2.gz VIMAKSZQLPKWKU-UHFFFAOYSA-N -1 3 414.465 4.117 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c4c(nc5ccccc53)CCC4)c2)n1 ZINC000046066367 848780136 /nfs/dbraw/zinc/78/01/36/848780136.db2.gz MEZSLKYYUOTENT-UHFFFAOYSA-N -1 3 410.477 4.289 20 0 HIADHM Cn1cnnc1-c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436761461 861951209 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Cn1c2ccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cc2nc1C(F)F ZINC000409985035 855762922 /nfs/dbraw/zinc/76/29/22/855762922.db2.gz VOYPVGWPHIIMKQ-UHFFFAOYSA-N -1 3 408.368 4.295 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000437391838 862720362 /nfs/dbraw/zinc/72/03/62/862720362.db2.gz HBCJJNNXCRNDGO-CQOQZXRMSA-N -1 3 414.505 4.316 20 0 HIADHM COc1cccc(Cc2nnc([N-]C(=O)c3cc(F)cc4nc(C)c(C)nc43)s2)c1 ZINC000410296564 855912537 /nfs/dbraw/zinc/91/25/37/855912537.db2.gz MLVOQVMOGISPLH-UHFFFAOYSA-N -1 3 423.473 4.089 20 0 HIADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(F)cc1Cl ZINC000426444851 856293584 /nfs/dbraw/zinc/29/35/84/856293584.db2.gz XLNMDWOAVDOIGE-UHFFFAOYSA-N -1 3 424.803 4.051 20 0 HIADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C/C=C\c1ccccc1F ZINC000426709096 856425075 /nfs/dbraw/zinc/42/50/75/856425075.db2.gz AQBHGRIHQPTWGF-XQRVVYSFSA-N -1 3 416.396 4.258 20 0 HIADHM O=C([O-])C[C@H](CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccc(Cl)cc1 ZINC000426713666 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414.527 4.009 20 0 HIADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000479409914 894717853 /nfs/dbraw/zinc/71/78/53/894717853.db2.gz KRKUJLDPIGZCAM-FOIQADDNSA-N -1 3 416.543 4.065 20 0 HIADHM CCCCc1nc2cc([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)ccc2[nH]1 ZINC000479507303 894821839 /nfs/dbraw/zinc/82/18/39/894821839.db2.gz ASAXZLWSWQBEJV-QKKBWIMNSA-N -1 3 403.548 4.043 20 0 HIADHM Cc1csc(C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)c1Cl ZINC000479914549 895262781 /nfs/dbraw/zinc/26/27/81/895262781.db2.gz PWVYFOJWHOJSOP-UHFFFAOYSA-N -1 3 411.712 4.365 20 0 HIADHM c1nc2nc(=N[C@@H]3CSc4ccccc43)cc(N[C@H]3CSc4ccccc43)n2[n-]1 ZINC000480011920 895362065 /nfs/dbraw/zinc/36/20/65/895362065.db2.gz BBXLIXWWLBOHMX-CVEARBPZSA-N -1 3 418.551 4.064 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](C)[C@H]3C)c2)cc1 ZINC000480139387 895519367 /nfs/dbraw/zinc/51/93/67/895519367.db2.gz DBLYTAPXIIRQNU-NVXWUHKLSA-N -1 3 416.543 4.065 20 0 HIADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1ccc(CC(F)(F)F)cc1 ZINC000480200377 895598110 /nfs/dbraw/zinc/59/81/10/895598110.db2.gz PUAOJZLCAVUAHA-UHFFFAOYSA-N -1 3 412.202 4.494 20 0 HIADHM FC(F)(F)c1n[n-]c(CNc2ccc3cc(Br)cc(Cl)c3n2)n1 ZINC000480299117 895704646 /nfs/dbraw/zinc/70/46/46/895704646.db2.gz AQYQMIHSKCWBIF-UHFFFAOYSA-N -1 3 406.593 4.400 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)onc3-c3cccc(Cl)c3)nc21 ZINC000480560036 895920271 /nfs/dbraw/zinc/92/02/71/895920271.db2.gz UXCFIJLCVZTCLM-UHFFFAOYSA-N -1 3 410.817 4.219 20 0 HIADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nnn(Cc2ccc(F)cc2F)c1C ZINC000480583289 895944733 /nfs/dbraw/zinc/94/47/33/895944733.db2.gz RDSUKWZSRSPMRL-UHFFFAOYSA-N -1 3 409.396 4.129 20 0 HIADHM Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480613970 895980404 /nfs/dbraw/zinc/98/04/04/895980404.db2.gz NMWQABNFFQLMLZ-UHFFFAOYSA-N -1 3 423.370 4.172 20 0 HIADHM CCSc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cc1 ZINC000480628324 895995802 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HIADHM Cc1c(CNC(=O)NCc2ccc([O-])c(Br)c2)oc2ccc(F)cc12 ZINC000482292576 897788170 /nfs/dbraw/zinc/78/81/70/897788170.db2.gz FUEPPEVQHUBCNV-UHFFFAOYSA-N -1 3 407.239 4.348 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccnc(C3CC3)n2)cc1 ZINC000482365822 897885101 /nfs/dbraw/zinc/88/51/01/897885101.db2.gz PYMYGGFFMLALBB-UHFFFAOYSA-N -1 3 422.510 4.024 20 0 HIADHM CCOc1ccc(OCC)c(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000482670274 898273085 /nfs/dbraw/zinc/27/30/85/898273085.db2.gz MMVMMISLYAYZAX-UHFFFAOYSA-N -1 3 409.280 4.274 20 0 HIADHM COc1ccc2nc(NC(=O)NCc3ccc([O-])c(Br)c3)sc2c1 ZINC000482802789 898413036 /nfs/dbraw/zinc/41/30/36/898413036.db2.gz QPWYTYIMIMKBIY-UHFFFAOYSA-N -1 3 408.277 4.095 20 0 HIADHM COc1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000482962712 898593069 /nfs/dbraw/zinc/59/30/69/898593069.db2.gz LTVZXNFBNRRCFQ-OAHLLOKOSA-N -1 3 406.276 4.149 20 0 HIADHM CC(C)[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000482972840 898607624 /nfs/dbraw/zinc/60/76/24/898607624.db2.gz BDVHNCZZSIMORW-LBPRGKRZSA-N -1 3 409.334 4.039 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c(C)[nH]c3ccc(Cl)cc32)cc1OC ZINC000483015392 898670881 /nfs/dbraw/zinc/67/08/81/898670881.db2.gz OYFHZCBXVWOHEL-UHFFFAOYSA-N -1 3 421.906 4.152 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000483038902 898704659 /nfs/dbraw/zinc/70/46/59/898704659.db2.gz VPJNNNWVBYDXOU-UHFFFAOYSA-N -1 3 402.248 4.495 20 0 HIADHM COc1ccc(OC(F)F)c(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000483040216 898707177 /nfs/dbraw/zinc/70/71/77/898707177.db2.gz ZTPSRDLUNBRGLA-UHFFFAOYSA-N -1 3 417.206 4.086 20 0 HIADHM CC(C)(C)NC(=O)c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000483049199 898721315 /nfs/dbraw/zinc/72/13/15/898721315.db2.gz ZIEXPECLVAKHLR-UHFFFAOYSA-N -1 3 420.307 4.005 20 0 HIADHM Cc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1OC(F)F ZINC000483172473 898840309 /nfs/dbraw/zinc/84/03/09/898840309.db2.gz LFMAWZICYHARFY-UHFFFAOYSA-N -1 3 401.207 4.386 20 0 HIADHM Cc1cnn(-c2ccc(NC(=O)NCc3ccc([O-])c(Br)c3)cc2F)c1 ZINC000483179481 898844580 /nfs/dbraw/zinc/84/45/80/898844580.db2.gz SSFGAZATSKLUJU-UHFFFAOYSA-N -1 3 419.254 4.110 20 0 HIADHM CCOC(=O)c1sc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000483333487 898961756 /nfs/dbraw/zinc/96/17/56/898961756.db2.gz DOTBFVBRPSJRPL-UHFFFAOYSA-N -1 3 413.293 4.023 20 0 HIADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000505601965 914306855 /nfs/dbraw/zinc/30/68/55/914306855.db2.gz JEOLUTRRGXFVHR-UHFFFAOYSA-N -1 3 402.347 4.014 20 0 HIADHM O=C(N[C@@H]1CC2CCC1CC2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000483416386 899044983 /nfs/dbraw/zinc/04/49/83/899044983.db2.gz KTPPWXZRGOFPKG-HKJQSTPSSA-N -1 3 409.711 4.253 20 0 HIADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483569212 899224179 /nfs/dbraw/zinc/22/41/79/899224179.db2.gz BOSLZKYAGBFZIP-UHFFFAOYSA-N -1 3 410.227 4.251 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cc(F)ccc1Br ZINC000483799199 899473468 /nfs/dbraw/zinc/47/34/68/899473468.db2.gz NXOXPISFYMAYKO-UHFFFAOYSA-N -1 3 418.060 4.378 20 0 HIADHM CC(C)c1nccn1Cc1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000484248420 899832482 /nfs/dbraw/zinc/83/24/82/899832482.db2.gz RDZDUPGULNEWKB-UHFFFAOYSA-N -1 3 413.481 4.261 20 0 HIADHM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c1 ZINC000484446187 899948940 /nfs/dbraw/zinc/94/89/40/899948940.db2.gz MTEHTDIIEPIMND-UHFFFAOYSA-N -1 3 417.918 4.390 20 0 HIADHM CCCOCc1ccccc1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000505743745 914422446 /nfs/dbraw/zinc/42/24/46/914422446.db2.gz LTMPSHVQUOWXDH-UHFFFAOYSA-N -1 3 406.486 4.406 20 0 HIADHM C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000484954934 900320918 /nfs/dbraw/zinc/32/09/18/900320918.db2.gz RDOQQDXMVXCLGX-LLVKDONJSA-N -1 3 422.432 4.439 20 0 HIADHM COc1ccc(Nc2nc(C(=O)[N-]c3nnc(CC(F)(F)F)s3)cs2)cc1 ZINC000484980361 900336911 /nfs/dbraw/zinc/33/69/11/900336911.db2.gz ZWYYRSHOXAUABG-UHFFFAOYSA-N -1 3 415.422 4.104 20 0 HIADHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485101535 900409437 /nfs/dbraw/zinc/40/94/37/900409437.db2.gz DNTXGSKYCNZICF-UHFFFAOYSA-N -1 3 412.453 4.202 20 0 HIADHM CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485108835 900416289 /nfs/dbraw/zinc/41/62/89/900416289.db2.gz WDOMRZOZNXWFPD-UHFFFAOYSA-N -1 3 417.469 4.133 20 0 HIADHM O=C(CCCc1nc(-c2cccs2)no1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485131357 900433011 /nfs/dbraw/zinc/43/30/11/900433011.db2.gz IWGPQSYONVGELH-UHFFFAOYSA-N -1 3 420.454 4.291 20 0 HIADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485132869 900435321 /nfs/dbraw/zinc/43/53/21/900435321.db2.gz MFCWKTZBRXRPBC-WBMJQRKESA-N -1 3 401.426 4.065 20 0 HIADHM COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc(=O)c4ccccc4[n-]3)s2)cc1 ZINC000505792600 914456874 /nfs/dbraw/zinc/45/68/74/914456874.db2.gz JJVKFGGAKSFUMR-ZDUSSCGKSA-N -1 3 419.506 4.460 20 0 HIADHM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nc2ccccc2[nH]1 ZINC000485456423 900750022 /nfs/dbraw/zinc/75/00/22/900750022.db2.gz SECKEUBAFKHYDZ-QGZVFWFLSA-N -1 3 417.307 4.228 20 0 HIADHM CCCCc1nc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c(C(=O)OCC)[n-]1 ZINC000485700642 900950551 /nfs/dbraw/zinc/95/05/51/900950551.db2.gz GTBBNRQYJPBWPK-UHFFFAOYSA-N -1 3 401.511 4.010 20 0 HIADHM O=c1cc(C=Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)nc(-c2ccncc2)[n-]1 ZINC000485972216 901189602 /nfs/dbraw/zinc/18/96/02/901189602.db2.gz CZURRTVXYSXRPM-RJRFIUFISA-N -1 3 409.371 4.207 20 0 HIADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](c3ccc(F)cc3)C(F)(F)F)cc2)co1 ZINC000486000184 901216799 /nfs/dbraw/zinc/21/67/99/901216799.db2.gz FMSXYDCNLJPWCH-KRWDZBQOSA-N -1 3 414.380 4.371 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H]2C[C@H](C)c3c2cccc3C)cc1OC ZINC000486054054 901251383 /nfs/dbraw/zinc/25/13/83/901251383.db2.gz PMULZADOYNEIRQ-HOTGVXAUSA-N -1 3 416.543 4.385 20 0 HIADHM O=c1nc(CSc2nnc(N3CCCC3)s2)[n-]c2scc(-c3ccco3)c21 ZINC000505882009 914527542 /nfs/dbraw/zinc/52/75/42/914527542.db2.gz XJTIBOYEUSLABR-UHFFFAOYSA-N -1 3 417.541 4.401 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000486219641 901402108 /nfs/dbraw/zinc/40/21/08/901402108.db2.gz SWBFSABUZWHDEM-VXGBXAGGSA-N -1 3 409.246 4.323 20 0 HIADHM COc1ccccc1C[C@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486434544 901592770 /nfs/dbraw/zinc/59/27/70/901592770.db2.gz XKZGYSTYWCEOQK-MRXNPFEDSA-N -1 3 419.319 4.080 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N(CCc1ccc(F)cc1)C1CC1 ZINC000486650322 901774852 /nfs/dbraw/zinc/77/48/52/901774852.db2.gz KMDCDTQITFCMCN-UHFFFAOYSA-N -1 3 407.283 4.211 20 0 HIADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000486664876 901783049 /nfs/dbraw/zinc/78/30/49/901783049.db2.gz NBKURANSEVQNQR-UHFFFAOYSA-N -1 3 404.253 4.313 20 0 HIADHM COC(=O)c1oc([C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1C ZINC000486826744 901878567 /nfs/dbraw/zinc/87/85/67/901878567.db2.gz QKUSOIRFOBYLPX-GFCCVEGCSA-N -1 3 410.455 4.062 20 0 HIADHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1cc(F)c(Cl)cc1F ZINC000488404948 902811532 /nfs/dbraw/zinc/81/15/32/902811532.db2.gz JCJFIXKMJQXBQR-UHFFFAOYSA-N -1 3 420.799 4.089 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@H]1c1ccccc1OC(F)F ZINC000488664838 902928434 /nfs/dbraw/zinc/92/84/34/902928434.db2.gz KYYYDHXDJOZHKS-QWHCGFSZSA-N -1 3 412.230 4.176 20 0 HIADHM O=C(COc1ccc(Cl)c2cccnc12)NCc1ccc([O-])c(Br)c1 ZINC000488673850 902935746 /nfs/dbraw/zinc/93/57/46/902935746.db2.gz HDQIQXQKFCACHU-UHFFFAOYSA-N -1 3 421.678 4.052 20 0 HIADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)s1 ZINC000488708524 902956420 /nfs/dbraw/zinc/95/64/20/902956420.db2.gz HWXNJBPIIOAILH-VIFPVBQESA-N -1 3 411.409 4.215 20 0 HIADHM O=S(=O)([N-]Cc1cccnc1Oc1cccc(F)c1)c1cc(F)ccc1Cl ZINC000488851093 903042119 /nfs/dbraw/zinc/04/21/19/903042119.db2.gz IBBQXRMTDLWJIY-UHFFFAOYSA-N -1 3 410.829 4.284 20 0 HIADHM COCc1cccc(CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000489745816 903573560 /nfs/dbraw/zinc/57/35/60/903573560.db2.gz OFCSCZCCYVGYMO-UHFFFAOYSA-N -1 3 424.522 4.123 20 0 HIADHM Cc1nc(C)c(CCC(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)c(=O)[n-]1 ZINC000490054294 903746094 /nfs/dbraw/zinc/74/60/94/903746094.db2.gz MULBCWYOFVLTST-UHFFFAOYSA-N -1 3 405.901 4.152 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2oc3ccc(Cl)cc3c2C)cc1OC ZINC000490544151 904089666 /nfs/dbraw/zinc/08/96/66/904089666.db2.gz LUVGVHZEZGCIJY-UHFFFAOYSA-N -1 3 422.890 4.417 20 0 HIADHM COc1nnc(NC(=O)c2ccccc2SCc2ccc(Br)cc2)[n-]1 ZINC000490651926 904156659 /nfs/dbraw/zinc/15/66/59/904156659.db2.gz YTNJSDQMLUYBJF-UHFFFAOYSA-N -1 3 419.304 4.120 20 0 HIADHM COc1nc(NC(=O)c2ccccc2SCc2ccc(Br)cc2)n[n-]1 ZINC000490651926 904156669 /nfs/dbraw/zinc/15/66/69/904156669.db2.gz YTNJSDQMLUYBJF-UHFFFAOYSA-N -1 3 419.304 4.120 20 0 HIADHM COc1n[n-]c(NC(=O)c2ccccc2SCc2ccc(Br)cc2)n1 ZINC000490651926 904156671 /nfs/dbraw/zinc/15/66/71/904156671.db2.gz YTNJSDQMLUYBJF-UHFFFAOYSA-N -1 3 419.304 4.120 20 0 HIADHM CC[C@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Br)c1nccs1 ZINC000493771007 905215428 /nfs/dbraw/zinc/21/54/28/905215428.db2.gz XPDKBEBBEZLRAA-ZDUSSCGKSA-N -1 3 409.758 4.163 20 0 HIADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1cccc(Cl)c1Br ZINC000493792391 905220025 /nfs/dbraw/zinc/22/00/25/905220025.db2.gz IPDXGUOGADHIPB-UHFFFAOYSA-N -1 3 411.708 4.129 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)CC3CC3)c2)cc1 ZINC000494017799 905354534 /nfs/dbraw/zinc/35/45/34/905354534.db2.gz AYESRQWRPJEUOQ-MRXNPFEDSA-N -1 3 416.543 4.113 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CC3CC3)ccc2C)cc1 ZINC000494048731 905388512 /nfs/dbraw/zinc/38/85/12/905388512.db2.gz LTAIESBZECZFNB-INIZCTEOSA-N -1 3 416.543 4.113 20 0 HIADHM COc1cc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc(OC)c1[O-] ZINC000494103199 905437248 /nfs/dbraw/zinc/43/72/48/905437248.db2.gz KNJWAEHOULXTBP-UHFFFAOYSA-N -1 3 407.919 4.460 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)CCC(=O)c3ccc4ccccc4c3)nc21 ZINC000494121493 905466495 /nfs/dbraw/zinc/46/64/95/905466495.db2.gz BAIVYRGVYCPWFF-UHFFFAOYSA-N -1 3 401.422 4.104 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cncc(-c4ccc(Cl)cc4)c3)nc21 ZINC000494127807 905471248 /nfs/dbraw/zinc/47/12/48/905471248.db2.gz OPSDAKQIRYWDQI-UHFFFAOYSA-N -1 3 406.829 4.317 20 0 HIADHM CCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000494519653 905809645 /nfs/dbraw/zinc/80/96/45/905809645.db2.gz MIARHWMQPGOWPF-UHFFFAOYSA-N -1 3 414.449 4.129 20 0 HIADHM CCc1c(C(=O)[N-]c2nnc(C(CC)CC)s2)nnn1Cc1ccc(F)cc1 ZINC000495101123 906241375 /nfs/dbraw/zinc/24/13/75/906241375.db2.gz LKOXXTQYKOOHAZ-UHFFFAOYSA-N -1 3 402.499 4.035 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c(Br)c1 ZINC000497870081 907348059 /nfs/dbraw/zinc/34/80/59/907348059.db2.gz UDIFPJAGHMOHSH-UHFFFAOYSA-N -1 3 402.285 4.485 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3ccc(Cl)cn3)nc(=O)c2c1C ZINC000497921895 907391577 /nfs/dbraw/zinc/39/15/77/907391577.db2.gz KBMGLXUCQGOZNY-SECBINFHSA-N -1 3 409.920 4.371 20 0 HIADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Br)c(Cl)c1 ZINC000498010645 907501578 /nfs/dbraw/zinc/50/15/78/907501578.db2.gz BXBBHDUQSMQUNJ-UHFFFAOYSA-N -1 3 417.712 4.170 20 0 HIADHM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000498010871 907503998 /nfs/dbraw/zinc/50/39/98/907503998.db2.gz CVURYPXPQULUTP-UHFFFAOYSA-N -1 3 423.101 4.460 20 0 HIADHM COc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1F ZINC000498231170 907762415 /nfs/dbraw/zinc/76/24/15/907762415.db2.gz HTFAUQGAWUMJSI-UHFFFAOYSA-N -1 3 414.458 4.196 20 0 HIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000498414230 907889656 /nfs/dbraw/zinc/88/96/56/907889656.db2.gz OLCYHHVIPOHEPL-UHFFFAOYSA-N -1 3 417.531 4.294 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC000498644557 908084548 /nfs/dbraw/zinc/08/45/48/908084548.db2.gz ROEBDQAXRBAZJG-NRFANRHFSA-N -1 3 412.917 4.417 20 0 HIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000498825493 908233555 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Cc1ccc(CC[C@H](C)NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000436526521 861836413 /nfs/dbraw/zinc/83/64/13/861836413.db2.gz JHICHFWSQJUUCU-GAJHUEQPSA-N -1 3 420.509 4.292 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000436533994 861839493 /nfs/dbraw/zinc/83/94/93/861839493.db2.gz KDXJRADRQXTPRM-UEVCKROQSA-N -1 3 406.526 4.435 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1(c2ccc(F)cc2)CC1 ZINC000436531188 861837937 /nfs/dbraw/zinc/83/79/37/861837937.db2.gz VTOKUSNDNFYVRI-JOCHJYFZSA-N -1 3 418.468 4.198 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)C(C)(C)C)ccc2C)cc1 ZINC000031407490 847878237 /nfs/dbraw/zinc/87/82/37/847878237.db2.gz KWWOVYJNWPBPMA-INIZCTEOSA-N -1 3 418.559 4.311 20 0 HIADHM Cc1ccc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)c([O-])c1 ZINC000436536624 861840420 /nfs/dbraw/zinc/84/04/20/861840420.db2.gz DNWLZSAPWAURSG-UHFFFAOYSA-N -1 3 410.420 4.260 20 0 HIADHM 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861849768 /nfs/dbraw/zinc/84/97/68/861849768.db2.gz IWYOMFCPYVGOFT-DYESRHJHSA-N -1 3 414.571 4.244 20 0 HIADHM CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccc(Cl)cc1 ZINC000031898027 847963678 /nfs/dbraw/zinc/96/36/78/847963678.db2.gz TVUPFQHWBIVLFJ-QGZVFWFLSA-N -1 3 412.914 4.047 20 0 HIADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000436562699 861853453 /nfs/dbraw/zinc/85/34/53/861853453.db2.gz NSEIWHQRQBJZTE-QHCPKHFHSA-N -1 3 412.489 4.076 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC[C@@H]3C[C@@H]3C)ccc2C)c(C)c1 ZINC000032393342 848018014 /nfs/dbraw/zinc/01/80/14/848018014.db2.gz HYFHJQCGZRZWJD-KXBFYZLASA-N -1 3 400.544 4.107 20 0 HIADHM Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(C(C)C)cc2[O-])c1C ZINC000436571811 861856285 /nfs/dbraw/zinc/85/62/85/861856285.db2.gz CMZSEIKEHQZAED-HXUWFJFHSA-N -1 3 424.541 4.392 20 0 HIADHM Cc1ccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c([O-])c1 ZINC000436593496 861862341 /nfs/dbraw/zinc/86/23/41/861862341.db2.gz 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Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2C)C(C)C)c1 ZINC000436959182 862138723 /nfs/dbraw/zinc/13/87/23/862138723.db2.gz BVEVHBDLXHTALW-OAQYLSRUSA-N -1 3 407.470 4.376 20 0 HIADHM CCC(CC)[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccs1 ZINC000057265700 850594582 /nfs/dbraw/zinc/59/45/82/850594582.db2.gz JVKGLAHNFDRWLJ-FQEVSTJZSA-N -1 3 415.559 4.099 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)c1 ZINC000436969585 862148277 /nfs/dbraw/zinc/14/82/77/862148277.db2.gz JKJKTQZCUXFSLX-JTQLQIEISA-N -1 3 417.824 4.224 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCCOc3cccc(C)c3)c2)n1 ZINC000057389039 850625958 /nfs/dbraw/zinc/62/59/58/850625958.db2.gz DKMPEDVZACPOQZ-UHFFFAOYSA-N -1 3 405.498 4.496 20 0 HIADHM CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436972047 862150790 /nfs/dbraw/zinc/15/07/90/862150790.db2.gz RBHYDGXUMQBDNC-MRXNPFEDSA-N -1 3 419.319 4.206 20 0 HIADHM O=c1[n-]c(SCc2ncc(-c3ccccc3)o2)nc2c1cnn2-c1ccccc1 ZINC000057476336 850648064 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407.532 4.054 20 0 HIADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCCC1)c1cc(Cl)ccc1Cl ZINC000069081589 852383462 /nfs/dbraw/zinc/38/34/62/852383462.db2.gz KNBCDOXUMZKNSY-HNNXBMFYSA-N -1 3 403.331 4.092 20 0 HIADHM CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C)c1ccccc1 ZINC000071828987 852413749 /nfs/dbraw/zinc/41/37/49/852413749.db2.gz TUGIXMOOOGVIAJ-UHFFFAOYSA-N -1 3 424.522 4.471 20 0 HIADHM O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000071862548 852420744 /nfs/dbraw/zinc/42/07/44/852420744.db2.gz ZKDVVGJOHNTHSP-UHFFFAOYSA-N -1 3 410.470 4.186 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3nc4ccccc4s3)c2)n1 ZINC000071931274 852434558 /nfs/dbraw/zinc/43/45/58/852434558.db2.gz AIYLRJQJIROCLD-ZHACJKMWSA-N -1 3 402.479 4.261 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)c(C)c1NS(C)(=O)=O ZINC000071974073 852452422 /nfs/dbraw/zinc/45/24/22/852452422.db2.gz KVOUGGPNFAZGDB-UHFFFAOYSA-N -1 3 424.588 4.082 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1OC 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408.479 4.251 20 0 HIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(c2ccccc2Br)CC1 ZINC000439644833 864970749 /nfs/dbraw/zinc/97/07/49/864970749.db2.gz RTIFZDPHINSMRR-UHFFFAOYSA-N -1 3 407.283 4.383 20 0 HIADHM CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)NCc2ncccc2[O-])n1 ZINC000467971467 881829071 /nfs/dbraw/zinc/82/90/71/881829071.db2.gz UNKKTPHUONVTNL-UHFFFAOYSA-N -1 3 401.854 4.011 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1NC(=O)C(C)(C)C ZINC000440305243 865566627 /nfs/dbraw/zinc/56/66/27/865566627.db2.gz RTJSHGRRMNEVJW-UHFFFAOYSA-N -1 3 416.543 4.494 20 0 HIADHM CSc1ccc(-c2nsc([N-]C(=O)c3cc4c(C)nn(C)c4s3)n2)cc1 ZINC000440467640 865770749 /nfs/dbraw/zinc/77/07/49/865770749.db2.gz HRNGAESMWNRKMM-UHFFFAOYSA-N -1 3 401.542 4.436 20 0 HIADHM O=c1cc(C(F)(F)F)nc(CNc2cccc(C[S@@](=O)c3ccccc3)c2)[n-]1 ZINC000442123962 867147371 /nfs/dbraw/zinc/14/73/71/867147371.db2.gz SIGLDYQCRADYDJ-MUUNZHRXSA-N -1 3 407.417 4.121 20 0 HIADHM C[C@@H](SCc1ncnn1CCF)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000442554392 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4.339 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3noc(-c4ccccc4)n3)cc2)cc(=O)[n-]1 ZINC000471581085 886293346 /nfs/dbraw/zinc/29/33/46/886293346.db2.gz MPKKYAWKUJGRNW-ZDUSSCGKSA-N -1 3 416.441 4.090 20 0 HIADHM O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000471642845 886358242 /nfs/dbraw/zinc/35/82/42/886358242.db2.gz NFNQQOOEDSUULM-IBGZPJMESA-N -1 3 405.454 4.098 20 0 HIADHM O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc([O-])c2ccccc2c1 ZINC000471703283 886410628 /nfs/dbraw/zinc/41/06/28/886410628.db2.gz TVQSBPYGPZEIHX-OAQYLSRUSA-N -1 3 410.901 4.002 20 0 HIADHM CCOc1ccc(C2(CNC(=O)c3cc([O-])c4ccccc4c3)CCOCC2)cc1 ZINC000471849497 886615693 /nfs/dbraw/zinc/61/56/93/886615693.db2.gz SFVGVJBPNOJQSS-UHFFFAOYSA-N -1 3 405.494 4.422 20 0 HIADHM CSc1cccc([C@H](NC(=O)NCc2ncccc2[O-])c2ccc(F)c(F)c2)c1 ZINC000471973693 886804691 /nfs/dbraw/zinc/80/46/91/886804691.db2.gz RYKDCESFQWMWJZ-FQEVSTJZSA-N -1 3 415.465 4.376 20 0 HIADHM CCC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)N1CCc2sccc2C1 ZINC000472027356 886848933 /nfs/dbraw/zinc/84/89/33/886848933.db2.gz ZLQSNHWRSCAAJQ-LJQANCHMSA-N -1 3 408.523 4.090 20 0 HIADHM CCOc1ccc([C@@H](NC(=O)NCc2ncccc2[O-])c2cccc(Cl)c2)cc1 ZINC000472130859 886923487 /nfs/dbraw/zinc/92/34/87/886923487.db2.gz SPVZLZJUKSHDNV-OAQYLSRUSA-N -1 3 411.889 4.428 20 0 HIADHM CCc1c(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cnn1-c1ccc(Cl)cc1 ZINC000472370196 887208298 /nfs/dbraw/zinc/20/82/98/887208298.db2.gz RPBOKISJCGSDJC-UHFFFAOYSA-N -1 3 423.860 4.003 20 0 HIADHM CCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@H](COC)Cc1ccccc1 ZINC000472686720 887541685 /nfs/dbraw/zinc/54/16/85/887541685.db2.gz ADAVMAXHTDQKTE-NRFANRHFSA-N -1 3 420.513 4.269 20 0 HIADHM CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000473468364 888191620 /nfs/dbraw/zinc/19/16/20/888191620.db2.gz CXELPUQBOWXDPF-IBGZPJMESA-N -1 3 423.966 4.356 20 0 HIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000473590442 888335010 /nfs/dbraw/zinc/33/50/10/888335010.db2.gz PEHXJFWROBNLDR-UHFFFAOYSA-N -1 3 412.371 4.456 20 0 HIADHM Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCc1ncccc1[O-] ZINC000473630985 888372619 /nfs/dbraw/zinc/37/26/19/888372619.db2.gz QJYNXQNGQHCQQM-UHFFFAOYSA-N -1 3 412.287 4.214 20 0 HIADHM C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1ncccc1[O-] ZINC000473638577 888381948 /nfs/dbraw/zinc/38/19/48/888381948.db2.gz MSLHYAVJDYCWKQ-GFCCVEGCSA-N -1 3 403.891 4.034 20 0 HIADHM Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCc1ncccc1[O-] ZINC000473639980 888384576 /nfs/dbraw/zinc/38/45/76/888384576.db2.gz FEOORUSGINZGHG-UHFFFAOYSA-N -1 3 419.865 4.132 20 0 HIADHM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2ncccc2[O-])cc1 ZINC000473644402 888389850 /nfs/dbraw/zinc/38/98/50/888389850.db2.gz VCIMKQSWOXNGPW-UHFFFAOYSA-N -1 3 401.466 4.193 20 0 HIADHM CC(C)(C)c1ncsc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000473715018 888492016 /nfs/dbraw/zinc/49/20/16/888492016.db2.gz DMRXFRMBZQCFJE-UHFFFAOYSA-N -1 3 420.336 4.095 20 0 HIADHM COc1cc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)ccc1OC(C)C ZINC000504467426 913267526 /nfs/dbraw/zinc/26/75/26/913267526.db2.gz LQAVYPMGEJVXTG-UHFFFAOYSA-N -1 3 407.239 4.288 20 0 HIADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)sc1Cl ZINC000473860255 888711885 /nfs/dbraw/zinc/71/18/85/888711885.db2.gz RCPMMRGDPMNWML-VIFPVBQESA-N -1 3 418.327 4.453 20 0 HIADHM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000474091279 888918429 /nfs/dbraw/zinc/91/84/29/888918429.db2.gz WIWOEVHGIUHGKD-XLIONFOSSA-N -1 3 416.543 4.330 20 0 HIADHM Cc1csc(C2([N-]S(=O)(=O)c3cc(Br)ccc3Cl)CCC2)n1 ZINC000474107637 888928235 /nfs/dbraw/zinc/92/82/35/888928235.db2.gz YNTVIWMGHUCFGE-UHFFFAOYSA-N -1 3 421.769 4.225 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000474320237 889186569 /nfs/dbraw/zinc/18/65/69/889186569.db2.gz CWMPZUXMGUTUSR-KRWDZBQOSA-N -1 3 416.953 4.008 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CC(C)(C)C3)ccc2C)cc1 ZINC000504559106 913332305 /nfs/dbraw/zinc/33/23/05/913332305.db2.gz NXSSUDRQUHPQOG-UHFFFAOYSA-N -1 3 402.516 4.179 20 0 HIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000474495790 889357022 /nfs/dbraw/zinc/35/70/22/889357022.db2.gz QXYUCRXHSQGLBO-UHFFFAOYSA-N -1 3 416.890 4.092 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000474540516 889416383 /nfs/dbraw/zinc/41/63/83/889416383.db2.gz LMQKKMLQKMSFFR-GDBMZVCRSA-N -1 3 407.283 4.429 20 0 HIADHM Cc1nc(C)c(CCC(=O)NC(CCc2ccccc2)CCc2ccccc2)c(=O)[n-]1 ZINC000474552116 889427795 /nfs/dbraw/zinc/42/77/95/889427795.db2.gz AAYACWTURYRFNS-UHFFFAOYSA-N -1 3 417.553 4.482 20 0 HIADHM Cc1cc(Br)cc(C)c1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000474552246 889429559 /nfs/dbraw/zinc/42/95/59/889429559.db2.gz GHCZABKNGFOQKF-UHFFFAOYSA-N -1 3 406.324 4.097 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(Br)cc1Cl ZINC000474827464 889683094 /nfs/dbraw/zinc/68/30/94/889683094.db2.gz BDQPGNKIZSVBAS-UHFFFAOYSA-N -1 3 412.715 4.134 20 0 HIADHM Cc1ncc(CNC(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)c(=O)[n-]1 ZINC000474940151 889798018 /nfs/dbraw/zinc/79/80/18/889798018.db2.gz COHFXSZPZFASOC-UHFFFAOYSA-N -1 3 404.257 4.181 20 0 HIADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)cc1F ZINC000475752096 890697917 /nfs/dbraw/zinc/69/79/17/890697917.db2.gz CJPIGIYEOFVXTD-IBGZPJMESA-N -1 3 408.857 4.390 20 0 HIADHM O=C(CN(Cc1cccnc1)c1ccccc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476142461 891065624 /nfs/dbraw/zinc/06/56/24/891065624.db2.gz GODMYVYIWQLANO-UHFFFAOYSA-N -1 3 401.388 4.451 20 0 HIADHM O=C(CCC(=O)N1CCSc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476181085 891112762 /nfs/dbraw/zinc/11/27/62/891112762.db2.gz ZFJSCWABQYXPBE-UHFFFAOYSA-N -1 3 410.417 4.269 20 0 HIADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000476250361 891173536 /nfs/dbraw/zinc/17/35/36/891173536.db2.gz JVVBIVIMEYBVSL-UHFFFAOYSA-N -1 3 408.676 4.359 20 0 HIADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(C(=O)NC(C)C)ccc1Cl ZINC000476513032 891427318 /nfs/dbraw/zinc/42/73/18/891427318.db2.gz NSHQLOPKYFTHOU-UHFFFAOYSA-N -1 3 417.918 4.136 20 0 HIADHM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000476579984 891506259 /nfs/dbraw/zinc/50/62/59/891506259.db2.gz WBWMVVJLGVBEGB-BZUAXINKSA-N -1 3 404.507 4.133 20 0 HIADHM O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000476758822 891731476 /nfs/dbraw/zinc/73/14/76/891731476.db2.gz VFTRUXNTYZJIFS-CQSZACIVSA-N -1 3 416.308 4.234 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c1 ZINC000476900939 891856468 /nfs/dbraw/zinc/85/64/68/891856468.db2.gz HTLDEALZKGLFCE-HXUWFJFHSA-N -1 3 404.470 4.108 20 0 HIADHM O=C(c1cc(Cl)ccc1Oc1cccc(Cl)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476964428 891894609 /nfs/dbraw/zinc/89/46/09/891894609.db2.gz PNEWDJVDRDIYAX-UHFFFAOYSA-N -1 3 416.264 4.480 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)C3CC3)ccc2C)cc1 ZINC000477205835 892135231 /nfs/dbraw/zinc/13/52/31/892135231.db2.gz UWHKIMBMJUBSQV-HNNXBMFYSA-N -1 3 402.516 4.179 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CC[C@H](C)C3)ccc2C)c(C)c1 ZINC000504913204 913647022 /nfs/dbraw/zinc/64/70/22/913647022.db2.gz CKQDWKJBIHGKKG-AWEZNQCLSA-N -1 3 400.544 4.203 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CC[C@@H](C)C3)ccc2C)c(C)c1 ZINC000504913205 913647372 /nfs/dbraw/zinc/64/73/72/913647372.db2.gz CKQDWKJBIHGKKG-CQSZACIVSA-N -1 3 400.544 4.203 20 0 HIADHM O=C(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000505133357 913834983 /nfs/dbraw/zinc/83/49/83/913834983.db2.gz IDYJOSOLMBKDDT-UHFFFAOYSA-N -1 3 407.352 4.492 20 0 HIADHM Cc1oc2ccc(NC(=O)CS(=O)(=O)[N-]c3ccc(OC(C)C)cc3)cc2c1C ZINC000478983531 894260023 /nfs/dbraw/zinc/26/00/23/894260023.db2.gz BYRTZQVNBZGACC-UHFFFAOYSA-N -1 3 416.499 4.217 20 0 HIADHM CC[C@H](C)n1nc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1C ZINC000478984098 894260148 /nfs/dbraw/zinc/26/01/48/894260148.db2.gz JPOXKJIBOPHMOE-ZDUSSCGKSA-N -1 3 418.925 4.012 20 0 HIADHM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)c2C1 ZINC000479148291 894417244 /nfs/dbraw/zinc/41/72/44/894417244.db2.gz QZKZDZYTQBHFFJ-HNNXBMFYSA-N -1 3 404.532 4.009 20 0 HIADHM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(NC(=O)CC)cc3)c2C1 ZINC000479148249 894417785 /nfs/dbraw/zinc/41/77/85/894417785.db2.gz QKZIADINPVVMHQ-MRXNPFEDSA-N -1 3 415.559 4.340 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2Cl)cc1Cl ZINC000479201521 894466142 /nfs/dbraw/zinc/46/61/42/894466142.db2.gz HLLFUAUQRFLYIY-MRVPVSSYSA-N -1 3 423.268 4.270 20 0 HIADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)c(F)c1 ZINC000479394528 894697653 /nfs/dbraw/zinc/69/76/53/894697653.db2.gz SOGKWUGMXCJZTE-UHFFFAOYSA-N -1 3 402.447 4.130 20 0 HIADHM Cc1ccc(-c2nc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)n[n-]2)o1 ZINC000479462552 894786213 /nfs/dbraw/zinc/78/62/13/894786213.db2.gz GICUZLDTEZHPIY-UHFFFAOYSA-N -1 3 412.837 4.038 20 0 HIADHM Cc1csc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)c1Cl ZINC000479914270 895262922 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407.923 4.008 20 0 HIADHM Cc1nc(C)c(CCC(=O)NCC2(c3cccc(Cl)c3F)CCCC2)c(=O)[n-]1 ZINC000481676200 897059115 /nfs/dbraw/zinc/05/91/15/897059115.db2.gz YRLXNWDTRKJDBM-UHFFFAOYSA-N -1 3 405.901 4.152 20 0 HIADHM Cc1nc(C)c(CC(=O)Nc2nc(CC34CC5CC(CC(C5)C3)C4)cs2)c(=O)[n-]1 ZINC000481778114 897162362 /nfs/dbraw/zinc/16/23/62/897162362.db2.gz LBDSAVMJKRUYJY-UHFFFAOYSA-N -1 3 412.559 4.196 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c(Br)c1 ZINC000481856229 897222183 /nfs/dbraw/zinc/22/21/83/897222183.db2.gz NZONNTYPZRFDNR-UHFFFAOYSA-N -1 3 408.676 4.359 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c(Cl)c1Cl ZINC000481882463 897254454 /nfs/dbraw/zinc/25/44/54/897254454.db2.gz CKCAQDQEZGTYHW-UHFFFAOYSA-N -1 3 408.690 4.391 20 0 HIADHM O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000481947696 897335729 /nfs/dbraw/zinc/33/57/29/897335729.db2.gz NNHCCEXUEHEBHC-UHFFFAOYSA-N -1 3 411.348 4.072 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000482161343 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4.358 20 0 HIADHM CCSCC[C@@H](C)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554823 861849731 /nfs/dbraw/zinc/84/97/31/861849731.db2.gz IWYOMFCPYVGOFT-UTKZUKDTSA-N -1 3 414.571 4.244 20 0 HIADHM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436559164 861850390 /nfs/dbraw/zinc/85/03/90/861850390.db2.gz YOINXBBXIYNUCW-UHFFFAOYSA-N -1 3 406.404 4.124 20 0 HIADHM CCC(CC)C(=O)N1CCC(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436558966 861850716 /nfs/dbraw/zinc/85/07/16/861850716.db2.gz XPCPOEAFNPDBCK-UHFFFAOYSA-N -1 3 410.514 4.342 20 0 HIADHM CCc1cnccc1[C@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436558205 861850763 /nfs/dbraw/zinc/85/07/63/861850763.db2.gz UNNMFLWDJZHJGH-SBUREZEXSA-N -1 3 417.509 4.088 20 0 HIADHM COc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])ccc1NC(C)=O ZINC000436561145 861852138 /nfs/dbraw/zinc/85/21/38/861852138.db2.gz IHNGYDSFHAYJKX-UHFFFAOYSA-N -1 3 406.438 4.191 20 0 HIADHM CN(Cc1nccn1CC(F)(F)F)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436563118 861853462 /nfs/dbraw/zinc/85/34/62/861853462.db2.gz MKWDRNIURUEJFD-UHFFFAOYSA-N -1 3 405.376 4.216 20 0 HIADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)n1[C@H](C)c1ccccc1 ZINC000032332285 848006640 /nfs/dbraw/zinc/00/66/40/848006640.db2.gz KKAZQXRVAOYVRK-MRXNPFEDSA-N -1 3 411.527 4.338 20 0 HIADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)c([O-])c2O1 ZINC000436570156 861855772 /nfs/dbraw/zinc/85/57/72/861855772.db2.gz NGKOXBPWWIJUIS-UHFFFAOYSA-N -1 3 401.369 4.346 20 0 HIADHM O=S(=O)([N-]Cc1cccnc1Oc1cccc(F)c1)c1ccc(Cl)cc1F ZINC000032437760 848026246 /nfs/dbraw/zinc/02/62/46/848026246.db2.gz SDUPYWOLOGUQLG-UHFFFAOYSA-N -1 3 410.829 4.284 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000436595366 861862973 /nfs/dbraw/zinc/86/29/73/861862973.db2.gz IJMFXDGQVBTZRO-GGAORHGYSA-N -1 3 404.510 4.045 20 0 HIADHM COc1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c([O-])c1 ZINC000436579151 861858815 /nfs/dbraw/zinc/85/88/15/861858815.db2.gz BYAVCQOAJIQBQD-INIZCTEOSA-N -1 3 413.518 4.317 20 0 HIADHM COc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1NC(=O)c1cccc(F)c1 ZINC000436581186 861858860 /nfs/dbraw/zinc/85/88/60/861858860.db2.gz YYCDMONULURMBQ-UHFFFAOYSA-N -1 3 422.412 4.247 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3CCCC3)c2)cc1 ZINC000033054057 848103485 /nfs/dbraw/zinc/10/34/85/848103485.db2.gz ISBYKVQCCZDYQT-UHFFFAOYSA-N -1 3 416.543 4.115 20 0 HIADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000033097950 848108672 /nfs/dbraw/zinc/10/86/72/848108672.db2.gz PCQXVXUHCZLWKQ-NVXWUHKLSA-N -1 3 404.507 4.277 20 0 HIADHM CCOc1cccc2cc([C@H](C)NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])oc21 ZINC000436612064 861869266 /nfs/dbraw/zinc/86/92/66/861869266.db2.gz ZIOHWVRCWBTKNR-MAUKXSAKSA-N -1 3 422.481 4.019 20 0 HIADHM Cc1nn(C)c(C)c1OCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436611225 861869347 /nfs/dbraw/zinc/86/93/47/861869347.db2.gz ZFRVLWXSKYTHTL-UHFFFAOYSA-N -1 3 408.483 4.037 20 0 HIADHM CCC[C@H](CC1CCCCC1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436639246 861878618 /nfs/dbraw/zinc/87/86/18/861878618.db2.gz BNCQREQEYUVNEA-LJQANCHMSA-N -1 3 400.563 4.500 20 0 HIADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1cccc(Br)c1 ZINC000037575797 848174353 /nfs/dbraw/zinc/17/43/53/848174353.db2.gz MNIICZIEOFWGGM-UHFFFAOYSA-N -1 3 409.074 4.152 20 0 HIADHM CCOc1ccc([C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C(C)C)cc1OCC ZINC000436639973 861878675 /nfs/dbraw/zinc/87/86/75/861878675.db2.gz NFFXDYWSFXBPDW-OAQYLSRUSA-N -1 3 417.502 4.334 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1N1CCCCC1=O ZINC000038699506 848179364 /nfs/dbraw/zinc/17/93/64/848179364.db2.gz BFZZZJLFUWXQOR-UHFFFAOYSA-N -1 3 402.516 4.136 20 0 HIADHM C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c2ccccc2O1 ZINC000436631224 861875809 /nfs/dbraw/zinc/87/58/09/861875809.db2.gz SWPOBYKSLNNZRM-DYESRHJHSA-N -1 3 416.477 4.068 20 0 HIADHM CC(=O)c1ccc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1[O-] ZINC000436637969 861878291 /nfs/dbraw/zinc/87/82/91/861878291.db2.gz YWRAUNISJLSLPI-SFHVURJKSA-N -1 3 412.244 4.254 20 0 HIADHM CC(C)(CCCc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436640467 861879622 /nfs/dbraw/zinc/87/96/22/861879622.db2.gz ICFBPTGLYVGWHX-UHFFFAOYSA-N -1 3 408.542 4.162 20 0 HIADHM COc1cccc(Cn2c3ccccc3nc2NC(=O)c2cccc(OC)c2[O-])c1 ZINC000436648937 861881023 /nfs/dbraw/zinc/88/10/23/861881023.db2.gz NVKKCWDWUNJUBK-UHFFFAOYSA-N -1 3 403.438 4.060 20 0 HIADHM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)ccc2N1 ZINC000041616514 848236881 /nfs/dbraw/zinc/23/68/81/848236881.db2.gz XNBFYMCDLARMCI-UHFFFAOYSA-N -1 3 400.500 4.084 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@](CO)(c2ccccc2)C1 ZINC000436657533 861883557 /nfs/dbraw/zinc/88/35/57/861883557.db2.gz RHPVYPUQPPEHRS-MHZLTWQESA-N -1 3 415.533 4.344 20 0 HIADHM O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436670969 861889019 /nfs/dbraw/zinc/88/90/19/861889019.db2.gz SRTKZJGFPOMZCZ-NRFANRHFSA-N -1 3 402.450 4.428 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c1 ZINC000436668992 861889109 /nfs/dbraw/zinc/88/91/09/861889109.db2.gz GSRPGRCNRHHBQX-UGSOOPFHSA-N -1 3 409.442 4.147 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)c1 ZINC000436669931 861889161 /nfs/dbraw/zinc/88/91/61/861889161.db2.gz CTZRUWYREOFOCW-GTJPDFRWSA-N -1 3 423.444 4.133 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)c1 ZINC000436669938 861889318 /nfs/dbraw/zinc/88/93/18/861889318.db2.gz CTZRUWYREOFOCW-XUSGNXJCSA-N -1 3 423.444 4.133 20 0 HIADHM CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@H](C)c1cccc(OC)c1 ZINC000436673254 861889786 /nfs/dbraw/zinc/88/97/86/861889786.db2.gz QLIBVQOGSBOTSK-CQSZACIVSA-N -1 3 423.469 4.173 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000436675892 861890734 /nfs/dbraw/zinc/89/07/34/861890734.db2.gz MRLSGFHMFFYSRW-GOTSBHOMSA-N -1 3 414.505 4.070 20 0 HIADHM CCN(Cc1ccc(Cl)s1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436674220 861890794 /nfs/dbraw/zinc/89/07/94/861890794.db2.gz ORMSMYYIAUKCCL-UHFFFAOYSA-N -1 3 419.890 4.318 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000436675893 861891599 /nfs/dbraw/zinc/89/15/99/861891599.db2.gz MRLSGFHMFFYSRW-PKTZIBPZSA-N -1 3 414.505 4.070 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc3ncsc3c2)c1 ZINC000436708621 861898826 /nfs/dbraw/zinc/89/88/26/861898826.db2.gz SJKVACRCGDRYFC-LLVKDONJSA-N -1 3 422.466 4.042 20 0 HIADHM [O-]c1ccccc1-c1nc(CSc2n[nH]c(COc3ccc(Cl)cc3)n2)no1 ZINC000436708525 861898945 /nfs/dbraw/zinc/89/89/45/861898945.db2.gz VKMIFYQAITUAKK-UHFFFAOYSA-N -1 3 415.862 4.085 20 0 HIADHM C[C@H](CCc1ccco1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000043725335 848453707 /nfs/dbraw/zinc/45/37/07/848453707.db2.gz YZTUGJNQSVGGLI-CQSZACIVSA-N -1 3 419.909 4.020 20 0 HIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c([O-])c1 ZINC000436723254 861907509 /nfs/dbraw/zinc/90/75/09/861907509.db2.gz PVQQMGGNPQXSLE-INIZCTEOSA-N -1 3 413.493 4.329 20 0 HIADHM Cc1cc(F)ccc1CN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436728383 861914083 /nfs/dbraw/zinc/91/40/83/861914083.db2.gz KVOBHSVJOUUWHF-QHCPKHFHSA-N -1 3 420.484 4.360 20 0 HIADHM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436736236 861921424 /nfs/dbraw/zinc/92/14/24/861921424.db2.gz NZAXELJVRDYRJU-UHFFFAOYSA-N -1 3 424.447 4.362 20 0 HIADHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCC(F)(F)CC1 ZINC000436736687 861923005 /nfs/dbraw/zinc/92/30/05/861923005.db2.gz GYDMDUQDKMVBFL-HXUWFJFHSA-N -1 3 416.468 4.290 20 0 HIADHM Cc1ccc(Cl)c2sc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])nc21 ZINC000436743107 861925613 /nfs/dbraw/zinc/92/56/13/861925613.db2.gz ZGANIILETKZTGG-CQSZACIVSA-N -1 3 415.902 4.207 20 0 HIADHM CCCCN(C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)C1CC1 ZINC000045369226 848671505 /nfs/dbraw/zinc/67/15/05/848671505.db2.gz JEVVOEYNJRDEEH-UHFFFAOYSA-N -1 3 416.543 4.209 20 0 HIADHM O=C(Nc1cccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1)c1ccc(Cl)cc1 ZINC000045528933 848689973 /nfs/dbraw/zinc/68/99/73/848689973.db2.gz VDZYAFJAEKGQPY-DEDYPNTBSA-N -1 3 402.837 4.403 20 0 HIADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC[C@H]1c1ccccc1 ZINC000045788120 848728547 /nfs/dbraw/zinc/72/85/47/848728547.db2.gz AHSBFEJPRHDHTE-NRFANRHFSA-N -1 3 410.470 4.214 20 0 HIADHM O=C(c1ccccc1[O-])N1CCN(c2cc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC000436753114 861937505 /nfs/dbraw/zinc/93/75/05/861937505.db2.gz ZZWPFXZGSWEXJN-UHFFFAOYSA-N -1 3 417.843 4.494 20 0 HIADHM O=C(OCc1csc(C2CCCCC2)n1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332594 848823653 /nfs/dbraw/zinc/82/36/53/848823653.db2.gz MVHURCKSWQPQAE-SFHVURJKSA-N -1 3 414.527 4.244 20 0 HIADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C ZINC000046623709 848889788 /nfs/dbraw/zinc/88/97/88/848889788.db2.gz WTGCONMEKZGYFZ-UHFFFAOYSA-N -1 3 423.840 4.493 20 0 HIADHM COC(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1C ZINC000436775277 861966083 /nfs/dbraw/zinc/96/60/83/861966083.db2.gz DXCUYSJIQRWWLD-UHFFFAOYSA-N -1 3 407.451 4.046 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2cc(F)ccc2F)CC1 ZINC000047334239 849027577 /nfs/dbraw/zinc/02/75/77/849027577.db2.gz ZWOCNMWUGFCTCW-UHFFFAOYSA-N -1 3 409.820 4.206 20 0 HIADHM Cc1ccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(F)c1 ZINC000047337762 849028498 /nfs/dbraw/zinc/02/84/98/849028498.db2.gz YMWYOKIRXYXFDV-UHFFFAOYSA-N -1 3 405.857 4.376 20 0 HIADHM Cc1ccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1F ZINC000047336861 849028760 /nfs/dbraw/zinc/02/87/60/849028760.db2.gz XBOFSZPFMOJCGV-UHFFFAOYSA-N -1 3 405.857 4.376 20 0 HIADHM CCCOc1ccc(CN(CCC)C(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC ZINC000436781538 861972775 /nfs/dbraw/zinc/97/27/75/861972775.db2.gz KBKCCTFQRLLICE-UHFFFAOYSA-N -1 3 414.502 4.200 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c1 ZINC000436791831 861983790 /nfs/dbraw/zinc/98/37/90/861983790.db2.gz UPAVSIFKBGMIBA-FQEVSTJZSA-N -1 3 406.486 4.259 20 0 HIADHM C[C@H](Sc1ccccc1Cl)C(=O)N[N-]C(=O)c1ccccc1Br ZINC000048169703 849184915 /nfs/dbraw/zinc/18/49/15/849184915.db2.gz GTRBGHCSMGSIOT-JTQLQIEISA-N -1 3 413.724 4.044 20 0 HIADHM Cn1cnc(-c2cccc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])c2)n1 ZINC000436802601 861992118 /nfs/dbraw/zinc/99/21/18/861992118.db2.gz JBOCMUJTNBXMEC-UHFFFAOYSA-N -1 3 400.438 4.019 20 0 HIADHM CN(Cc1nccn1CC(F)(F)F)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436815476 861999309 /nfs/dbraw/zinc/99/93/09/861999309.db2.gz WJXAQBYPQSVKAA-UHFFFAOYSA-N -1 3 417.431 4.208 20 0 HIADHM CC(C)[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NCc1cccnc1 ZINC000050234837 849363497 /nfs/dbraw/zinc/36/34/97/849363497.db2.gz MEXHPQWRHIZELP-MRXNPFEDSA-N -1 3 417.535 4.249 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000436838294 862017467 /nfs/dbraw/zinc/01/74/67/862017467.db2.gz MGPWLPDJYHCJJS-FQEVSTJZSA-N -1 3 416.525 4.193 20 0 HIADHM CCc1ccc(-c2nc(CN3CCN(C(=O)c4ccccc4[O-])CC3)cs2)cc1 ZINC000436842667 862018765 /nfs/dbraw/zinc/01/87/65/862018765.db2.gz DXTCSXZCZHIQRK-UHFFFAOYSA-N -1 3 407.539 4.036 20 0 HIADHM Cc1ccc(OC2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)cc1C ZINC000053016351 849655396 /nfs/dbraw/zinc/65/53/96/849655396.db2.gz FRVOEGFHMDZFFH-UHFFFAOYSA-N -1 3 403.482 4.330 20 0 HIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000436878721 862056417 /nfs/dbraw/zinc/05/64/17/862056417.db2.gz CSMHHFWBVWFHIP-LBPRGKRZSA-N -1 3 421.444 4.492 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](c1ccccc1)C(F)F ZINC000436888141 862065791 /nfs/dbraw/zinc/06/57/91/862065791.db2.gz QJPRXURDFINDDP-RBBKRZOGSA-N -1 3 424.447 4.376 20 0 HIADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(-c3ccsc3)no2)c1[O-] ZINC000436895581 862071574 /nfs/dbraw/zinc/07/15/74/862071574.db2.gz XLTXQVUUHLJCCQ-UHFFFAOYSA-N -1 3 417.446 4.275 20 0 HIADHM CCN(Cc1cccc(F)c1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436900038 862075217 /nfs/dbraw/zinc/07/52/17/862075217.db2.gz AXCHKHJLGAGCDF-HSZRJFAPSA-N -1 3 420.484 4.441 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000436900053 862076356 /nfs/dbraw/zinc/07/63/56/862076356.db2.gz BAHZSGUYIPPRJN-DHUDBDOYSA-N -1 3 418.537 4.338 20 0 HIADHM CCCCOc1ccc([C@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC ZINC000055287016 849995683 /nfs/dbraw/zinc/99/56/83/849995683.db2.gz HYIQLSULGCNUOX-AWEZNQCLSA-N -1 3 400.475 4.029 20 0 HIADHM CC[C@@H](C)Sc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c(C)c1 ZINC000436904597 862079768 /nfs/dbraw/zinc/07/97/68/862079768.db2.gz LZRJKJGYSMYVMP-OAHLLOKOSA-N -1 3 401.532 4.143 20 0 HIADHM O=C(NCc1ccc(OC2CCCCC2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436905942 862081976 /nfs/dbraw/zinc/08/19/76/862081976.db2.gz POCROXNDJIUOCM-QFIPXVFZSA-N -1 3 422.525 4.025 20 0 HIADHM C[C@H](Cc1ccccc1F)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436909220 862086232 /nfs/dbraw/zinc/08/62/32/862086232.db2.gz XYHZAVIZZIPLCH-UZUQRXQVSA-N -1 3 420.484 4.140 20 0 HIADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)cc1 ZINC000055584256 850064624 /nfs/dbraw/zinc/06/46/24/850064624.db2.gz BOEPGXUSCLLBEV-UHFFFAOYSA-N -1 3 416.543 4.035 20 0 HIADHM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000055595403 850071520 /nfs/dbraw/zinc/07/15/20/850071520.db2.gz FUEUOPKMUYVBTF-UHFFFAOYSA-N -1 3 402.516 4.240 20 0 HIADHM CC(C)(CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1 ZINC000436911415 862088332 /nfs/dbraw/zinc/08/83/32/862088332.db2.gz QJTIQBVQFJTJPZ-HSZRJFAPSA-N -1 3 416.521 4.347 20 0 HIADHM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000055619556 850080587 /nfs/dbraw/zinc/08/05/87/850080587.db2.gz HFYDWMFNWJHODE-UHFFFAOYSA-N -1 3 412.305 4.028 20 0 HIADHM CCOc1cccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436912825 862091612 /nfs/dbraw/zinc/09/16/12/862091612.db2.gz UDWQGPCMBYPHFA-JOCHJYFZSA-N -1 3 404.466 4.291 20 0 HIADHM CCc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436913685 862091961 /nfs/dbraw/zinc/09/19/61/862091961.db2.gz WKPDPHBKDYJOLU-OAQYLSRUSA-N -1 3 408.523 4.194 20 0 HIADHM O=C(N[C@H](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccccc1)c1ccc([O-])cc1 ZINC000436914045 862094113 /nfs/dbraw/zinc/09/41/13/862094113.db2.gz KDXJRADRQXTPRM-WWPVKYPJSA-N -1 3 406.526 4.435 20 0 HIADHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1OCCC(C)C ZINC000436917809 862097977 /nfs/dbraw/zinc/09/79/77/862097977.db2.gz CDZMOHCZZYFJFH-HXUWFJFHSA-N -1 3 410.514 4.369 20 0 HIADHM O=C(Nc1cc(Cl)cc(Cl)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436920101 862101207 /nfs/dbraw/zinc/10/12/07/862101207.db2.gz QLLJRPLJGWXIBV-UHFFFAOYSA-N -1 3 408.285 4.125 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000436924530 862105527 /nfs/dbraw/zinc/10/55/27/862105527.db2.gz GJAXGTRJJIATHN-AREMUKBSSA-N -1 3 419.496 4.189 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC(F)(F)c1ccccc1 ZINC000436934668 862112301 /nfs/dbraw/zinc/11/23/01/862112301.db2.gz YIMGWZIECSOQMK-NRFANRHFSA-N -1 3 424.447 4.162 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCc2ccccc21 ZINC000436926193 862105979 /nfs/dbraw/zinc/10/59/79/862105979.db2.gz LALUQFJFSJZCGC-URXFXBBRSA-N -1 3 414.505 4.100 20 0 HIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000056016307 850231364 /nfs/dbraw/zinc/23/13/64/850231364.db2.gz BQUUWBPJHOTYNT-UHFFFAOYSA-N -1 3 407.857 4.343 20 0 HIADHM O=c1[nH]c2ccc(-c3noc(-c4cc(OCc5ccccc5)ccc4[O-])n3)cc2[nH]1 ZINC000436933932 862112359 /nfs/dbraw/zinc/11/23/59/862112359.db2.gz DVAYQENPGWTCHE-UHFFFAOYSA-N -1 3 400.394 4.270 20 0 HIADHM C[C@@H](S[C@@H](C)C(=O)NC1CCCC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000056229987 850291917 /nfs/dbraw/zinc/29/19/17/850291917.db2.gz IZIYNAVNVJGDDZ-NEPJUHHUSA-N -1 3 417.556 4.486 20 0 HIADHM Cc1cc(C)c(NC(=O)CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c(C)c1 ZINC000436953301 862134253 /nfs/dbraw/zinc/13/42/53/862134253.db2.gz OATKQWUIBSEQDS-UHFFFAOYSA-N -1 3 404.466 4.478 20 0 HIADHM CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@H](C)c1ccc(F)cc1 ZINC000436950638 862128978 /nfs/dbraw/zinc/12/89/78/862128978.db2.gz PSKWGSTXIVNSIQ-CYBMUJFWSA-N -1 3 411.433 4.303 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccccc2Cl)c1 ZINC000436951691 862131051 /nfs/dbraw/zinc/13/10/51/862131051.db2.gz RIFCTEWHGFKOEZ-GFCCVEGCSA-N -1 3 413.861 4.428 20 0 HIADHM O=C(NCc1ccccc1-n1ccnc1)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000056894268 850511461 /nfs/dbraw/zinc/51/14/61/850511461.db2.gz CITHHWBOSBAHIP-UHFFFAOYSA-N -1 3 411.680 4.054 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2Cc2ccccc2C)c1 ZINC000436964109 862142960 /nfs/dbraw/zinc/14/29/60/862142960.db2.gz LQMRVNCSRGKGNC-IBGZPJMESA-N -1 3 419.481 4.097 20 0 HIADHM CC[C@@H](CC(F)(F)F)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436976812 862153275 /nfs/dbraw/zinc/15/32/75/862153275.db2.gz CJMPBIVXKBPVSN-WMZOPIPTSA-N -1 3 408.420 4.101 20 0 HIADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436976663 862153979 /nfs/dbraw/zinc/15/39/79/862153979.db2.gz POUKQEIGTLDUPM-LJQANCHMSA-N -1 3 421.522 4.064 20 0 HIADHM CCCCc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)cc1 ZINC000057790169 850717979 /nfs/dbraw/zinc/71/79/79/850717979.db2.gz DWJRZMBBPKBLBJ-UHFFFAOYSA-N -1 3 410.543 4.424 20 0 HIADHM CCCc1ccc([C@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)c2cccs2)cc1 ZINC000057814941 850722737 /nfs/dbraw/zinc/72/27/37/850722737.db2.gz QTLSMZPFHADOGR-QFIPXVFZSA-N -1 3 409.555 4.239 20 0 HIADHM CCCc1ccc([C@@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)c2cccs2)cc1 ZINC000057814946 850722990 /nfs/dbraw/zinc/72/29/90/850722990.db2.gz QTLSMZPFHADOGR-JOCHJYFZSA-N -1 3 409.555 4.239 20 0 HIADHM COc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1NC(=O)OC(C)(C)C ZINC000058398632 850816294 /nfs/dbraw/zinc/81/62/94/850816294.db2.gz XPLKPFMWXDISNH-UHFFFAOYSA-N -1 3 409.442 4.136 20 0 HIADHM Cc1cc2n[nH]cc2cc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000437002472 862178126 /nfs/dbraw/zinc/17/81/26/862178126.db2.gz MZPODVUHMZTCEV-OAQYLSRUSA-N -1 3 414.465 4.077 20 0 HIADHM O=C(Nc1cccc(C(F)F)c1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000437007433 862182010 /nfs/dbraw/zinc/18/20/10/862182010.db2.gz XVPCXCSPBGAIMV-UHFFFAOYSA-N -1 3 423.847 4.410 20 0 HIADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccsc1 ZINC000060509833 851127360 /nfs/dbraw/zinc/12/73/60/851127360.db2.gz HHZCXRQTNLOVHN-VIFPVBQESA-N -1 3 424.769 4.082 20 0 HIADHM CC(C)(CNC(=O)N[N-]C(=O)c1ccccc1Br)c1cccc(Cl)c1 ZINC000060575824 851153724 /nfs/dbraw/zinc/15/37/24/851153724.db2.gz AETTUKJBNDEJNV-UHFFFAOYSA-N -1 3 424.726 4.024 20 0 HIADHM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000060756828 851206411 /nfs/dbraw/zinc/20/64/11/851206411.db2.gz OYDDRJKFOQJQCO-HSZRJFAPSA-N -1 3 420.534 4.224 20 0 HIADHM O=C(Nc1ccc2ncccc2c1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000060788186 851212975 /nfs/dbraw/zinc/21/29/75/851212975.db2.gz SVAQKETYHCAWIG-UHFFFAOYSA-N -1 3 421.453 4.427 20 0 HIADHM O=C(OCCCOc1cccc2ccccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000061217252 851320530 /nfs/dbraw/zinc/32/05/30/851320530.db2.gz MXCIOYHYDXPIRD-OAQYLSRUSA-N -1 3 419.477 4.162 20 0 HIADHM Cc1c(Cl)cccc1NC(=S)N[N-]C(=O)c1ccc(F)cc1Br ZINC000061479454 851387647 /nfs/dbraw/zinc/38/76/47/851387647.db2.gz QTNYZXNNTGZQTF-UHFFFAOYSA-N -1 3 416.703 4.181 20 0 HIADHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000062406107 851544092 /nfs/dbraw/zinc/54/40/92/851544092.db2.gz XAXJFSWXRLVVJC-VIFPVBQESA-N -1 3 418.323 4.035 20 0 HIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(OC)c2)cc1 ZINC000063176810 851627390 /nfs/dbraw/zinc/62/73/90/851627390.db2.gz QJMBKJFLSFHPRJ-UHFFFAOYSA-N -1 3 406.504 4.023 20 0 HIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(CN(CC)C(C)=O)c2)cc1 ZINC000063174326 851627493 /nfs/dbraw/zinc/62/74/93/851627493.db2.gz VVYCJKGQODZUGQ-UHFFFAOYSA-N -1 3 418.559 4.425 20 0 HIADHM Cc1ccc(F)c(NC(=S)N[N-]C(=O)c2cc(Br)ccc2Cl)c1 ZINC000063345320 851668909 /nfs/dbraw/zinc/66/89/09/851668909.db2.gz LBQMABNHYCBOHH-UHFFFAOYSA-N -1 3 416.703 4.181 20 0 HIADHM [O-]c1ccc(Br)cc1/C=N/CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000063427687 851686638 /nfs/dbraw/zinc/68/66/38/851686638.db2.gz YMUTYEINEWRIQA-SSDVNMTOSA-N -1 3 418.287 4.051 20 0 HIADHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)cc1 ZINC000063849103 851777525 /nfs/dbraw/zinc/77/75/25/851777525.db2.gz VGTKBDPTKBKPTB-HNNXBMFYSA-N -1 3 410.561 4.153 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)cc2)n1 ZINC000064342648 851875507 /nfs/dbraw/zinc/87/55/07/851875507.db2.gz XCKBJIGFPQKZDX-UHFFFAOYSA-N -1 3 420.469 4.345 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cc2)n1 ZINC000064446756 851899356 /nfs/dbraw/zinc/89/93/56/851899356.db2.gz RFKLIEPQTDHSRS-UHFFFAOYSA-N -1 3 405.845 4.041 20 0 HIADHM O=S(=O)([N-]c1cccc(COCCc2ccccc2)c1)c1ccc2c(c1)CCO2 ZINC000064938597 852027752 /nfs/dbraw/zinc/02/77/52/852027752.db2.gz SFCGZSGVXCASJH-UHFFFAOYSA-N -1 3 409.507 4.182 20 0 HIADHM CCCCCOc1ccc([C@@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC ZINC000065644399 852206920 /nfs/dbraw/zinc/20/69/20/852206920.db2.gz CUBWYVYWRMIUFB-OAHLLOKOSA-N -1 3 414.502 4.419 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1OC ZINC000065787624 852256522 /nfs/dbraw/zinc/25/65/22/852256522.db2.gz XCVKGWJNCJWHHE-LJQANCHMSA-N -1 3 417.531 4.134 20 0 HIADHM Cc1cccc(OCc2nnc(SCc3cc(=O)oc4c(C)c([O-])ccc34)o2)c1 ZINC000068678364 852366713 /nfs/dbraw/zinc/36/67/13/852366713.db2.gz UCFVBOJSCVUOHE-UHFFFAOYSA-N -1 3 410.451 4.370 20 0 HIADHM C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000069693544 852400806 /nfs/dbraw/zinc/40/08/06/852400806.db2.gz AJMUOPNLBKGMCJ-HUUCEWRRSA-N -1 3 416.905 4.466 20 0 HIADHM O=S(=O)([N-]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1Cl ZINC000070964591 852406035 /nfs/dbraw/zinc/40/60/35/852406035.db2.gz IRZCFRSVPOLPSD-CYBMUJFWSA-N -1 3 414.232 4.024 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)nc(C(C)C)nc3SC)c2)n1 ZINC000097427188 852609838 /nfs/dbraw/zinc/60/98/38/852609838.db2.gz KZEUHEPBOBINKU-UHFFFAOYSA-N -1 3 423.542 4.195 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000111210949 853222520 /nfs/dbraw/zinc/22/25/20/853222520.db2.gz WWITUFYDDAUCSQ-FQEVSTJZSA-N -1 3 408.841 4.240 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccsc3)c2)cc1 ZINC000115208782 853247706 /nfs/dbraw/zinc/24/77/06/853247706.db2.gz ZDTATRCICFYSCH-UHFFFAOYSA-N -1 3 414.552 4.438 20 0 HIADHM O=C(NCc1ccccc1Oc1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000116092096 853282001 /nfs/dbraw/zinc/28/20/01/853282001.db2.gz UQIQSOCGTOTGGM-OAQYLSRUSA-N -1 3 416.477 4.106 20 0 HIADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000116614651 853319669 /nfs/dbraw/zinc/31/96/69/853319669.db2.gz YDSXUTKVIQRJET-WIYYLYMNSA-N -1 3 408.542 4.140 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000116716631 853327837 /nfs/dbraw/zinc/32/78/37/853327837.db2.gz AMTLSZOUYBPZAX-OAQYLSRUSA-N -1 3 413.477 4.394 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1OC ZINC000145438063 853551177 /nfs/dbraw/zinc/55/11/77/853551177.db2.gz PANKLZJZXOZAMT-IBGZPJMESA-N -1 3 419.547 4.366 20 0 HIADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2sc(C(C)(C)C)nc2C)cc1Cl ZINC000147138948 853583176 /nfs/dbraw/zinc/58/31/76/853583176.db2.gz DHDOIBCWMXKFQP-GFCCVEGCSA-N -1 3 405.907 4.372 20 0 HIADHM CC(C)(C)c1nnc([N-]C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)s1 ZINC000195534414 853670402 /nfs/dbraw/zinc/67/04/02/853670402.db2.gz ORPPNPLOHILMAB-UHFFFAOYSA-N -1 3 413.400 4.432 20 0 HIADHM CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OC)cc1[O-] ZINC000195591975 853702574 /nfs/dbraw/zinc/70/25/74/853702574.db2.gz MIQZZCNQHCIDLE-UHFFFAOYSA-N -1 3 411.285 4.199 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C(C)C)nc4onc(C)c43)c2)n1 ZINC000195606956 853710991 /nfs/dbraw/zinc/71/09/91/853710991.db2.gz VKLGNBOUHZUQSB-UHFFFAOYSA-N -1 3 417.469 4.220 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000437290222 862546924 /nfs/dbraw/zinc/54/69/24/862546924.db2.gz GUCUJRPXRWGRSJ-ZJUUUORDSA-N -1 3 420.316 4.466 20 0 HIADHM COc1cccc(C[C@@H](C)NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1 ZINC000261455727 854269102 /nfs/dbraw/zinc/26/91/02/854269102.db2.gz KFGDWNZVTLBFEA-GFCCVEGCSA-N -1 3 415.287 4.073 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Oc4ccc(C)c(C)c4)CC3)nc2)n1 ZINC000301154724 854313490 /nfs/dbraw/zinc/31/34/90/854313490.db2.gz AWJWBOAXQRPMCV-UHFFFAOYSA-N -1 3 404.514 4.471 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ccc(N4CCCC4=O)cc3)nc2)n1 ZINC000301167428 854317735 /nfs/dbraw/zinc/31/77/35/854317735.db2.gz IHUFJELOWZDBEM-HNNXBMFYSA-N -1 3 403.486 4.107 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(NC(=O)[C@@H](C)CC)c3)nc2)n1 ZINC000301171051 854318447 /nfs/dbraw/zinc/31/84/47/854318447.db2.gz KEQDAGHMOLBMKP-HNNXBMFYSA-N -1 3 405.502 4.403 20 0 HIADHM Cc1cccc(NC(=O)CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])c1C ZINC000303104774 854762151 /nfs/dbraw/zinc/76/21/51/854762151.db2.gz JENYTZOCHWROSA-UHFFFAOYSA-N -1 3 402.494 4.311 20 0 HIADHM CCC(CC)c1nnc([N-]C(=O)c2nnn(-c3cccc4cccnc43)c2C)s1 ZINC000303341348 854882426 /nfs/dbraw/zinc/88/24/26/854882426.db2.gz DDVZMTOFBHGAQU-UHFFFAOYSA-N -1 3 407.503 4.131 20 0 HIADHM CC[C@H](C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000303562895 855042213 /nfs/dbraw/zinc/04/22/13/855042213.db2.gz XPXZGXIDXYTOCV-LBPRGKRZSA-N -1 3 409.379 4.046 20 0 HIADHM COc1cccc(Cc2nnc([N-]C(=O)c3sc(C)cc3OC(F)F)s2)c1 ZINC000303567368 855044436 /nfs/dbraw/zinc/04/44/36/855044436.db2.gz OIBSJJIVHJDPTI-UHFFFAOYSA-N -1 3 411.455 4.361 20 0 HIADHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1ccc(Cl)cc1F ZINC000312894737 855373987 /nfs/dbraw/zinc/37/39/87/855373987.db2.gz WXPLJASJLRAVOR-UHFFFAOYSA-N -1 3 400.056 4.091 20 0 HIADHM [O-]c1cccc(CNc2cc3c(cc2Br)OCCO3)c1Br ZINC000315353913 855377990 /nfs/dbraw/zinc/37/79/90/855377990.db2.gz MFYBSCDOLBXDPR-UHFFFAOYSA-N -1 3 415.081 4.301 20 0 HIADHM O=S(=O)([N-][C@H](C1CC1)C1CCC1)c1cc(Br)ccc1Br ZINC000324959185 855401757 /nfs/dbraw/zinc/40/17/57/855401757.db2.gz HSDUATMYLINNPT-AWEZNQCLSA-N -1 3 423.170 4.069 20 0 HIADHM O=S(=O)([N-][C@H](c1cccs1)c1ccc(F)cc1)c1cnc(Cl)c(F)c1 ZINC000327958639 855421494 /nfs/dbraw/zinc/42/14/94/855421494.db2.gz UCTZFWKTBMWVRJ-HNNXBMFYSA-N -1 3 400.859 4.143 20 0 HIADHM O=S(=O)([N-]CCCOC1CCCCC1)c1c(Cl)cccc1Br ZINC000390095000 855453645 /nfs/dbraw/zinc/45/36/45/855453645.db2.gz WSYLRMSJEIDZMY-UHFFFAOYSA-N -1 3 410.761 4.120 20 0 HIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1(c2cncc(Br)c2)CC1 ZINC000409808045 855663610 /nfs/dbraw/zinc/66/36/10/855663610.db2.gz ZBDILLAZRREOJZ-UHFFFAOYSA-N -1 3 401.182 4.239 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(Br)cc1F ZINC000426502232 856322412 /nfs/dbraw/zinc/32/24/12/856322412.db2.gz ZBNVQROCNYUGFO-SECBINFHSA-N -1 3 410.287 4.181 20 0 HIADHM CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCCCC2 ZINC000426622329 856378946 /nfs/dbraw/zinc/37/89/46/856378946.db2.gz FENHHVMIMROMQH-WOJBJXKFSA-N -1 3 410.518 4.407 20 0 HIADHM COc1ccc(OCc2nc(CNC[C@]3(CC(=O)[O-])CC[C@H](C)C3)cs2)cc1 ZINC000426638235 856387467 /nfs/dbraw/zinc/38/74/67/856387467.db2.gz PRLIMJKJIGHQCN-YCRPNKLZSA-N -1 3 404.532 4.101 20 0 HIADHM O=C([O-])Cc1ccccc1CNCc1cc(Br)cc(C(F)(F)F)c1 ZINC000426680349 856409642 /nfs/dbraw/zinc/40/96/42/856409642.db2.gz MVGXBYDFERDYHT-UHFFFAOYSA-N -1 3 402.210 4.385 20 0 HIADHM Cc1ccc([C@@H](NCc2ccc(OC(F)F)c(Br)c2)C(=O)[O-])cc1 ZINC000426703824 856421356 /nfs/dbraw/zinc/42/13/56/856421356.db2.gz NSFMENMWBDLWES-OAHLLOKOSA-N -1 3 400.219 4.274 20 0 HIADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc1OCc1cccnc1 ZINC000426719532 856433151 /nfs/dbraw/zinc/43/31/51/856433151.db2.gz HGUGTQJRMUIGIL-QHCPKHFHSA-N -1 3 406.482 4.202 20 0 HIADHM O=C([O-])CC[C@@H](Cc1ccccc1)NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000426721989 856434402 /nfs/dbraw/zinc/43/44/02/856434402.db2.gz UNMSNLSXHFZHTE-HNNXBMFYSA-N -1 3 419.312 4.140 20 0 HIADHM COc1cccc(CSC[C@H](NCc2cc(C(F)(F)F)ccc2F)C(=O)[O-])c1 ZINC000426745926 856449494 /nfs/dbraw/zinc/44/94/94/856449494.db2.gz IPAUCFNKWRUQKL-KRWDZBQOSA-N -1 3 417.424 4.329 20 0 HIADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)ccc1OCC(F)(F)F ZINC000426754566 856457356 /nfs/dbraw/zinc/45/73/56/856457356.db2.gz RGUUTXMYAHOTFF-MRXNPFEDSA-N -1 3 421.774 4.344 20 0 HIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(OCC(F)(F)F)c(F)c2)c1 ZINC000426787319 856477652 /nfs/dbraw/zinc/47/76/52/856477652.db2.gz DDYOXDAFEBIPGE-MRXNPFEDSA-N -1 3 401.356 4.081 20 0 HIADHM CCOc1cc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)ccc1OC ZINC000426807710 856489370 /nfs/dbraw/zinc/48/93/70/856489370.db2.gz OUEKNZIQKIOYPB-INIZCTEOSA-N -1 3 408.292 4.162 20 0 HIADHM O=C([O-])[C@H](NCc1ccc(Br)c(Br)c1)c1cccs1 ZINC000426809323 856490335 /nfs/dbraw/zinc/49/03/35/856490335.db2.gz CXIDNXOJKNEHEY-GFCCVEGCSA-N -1 3 405.111 4.189 20 0 HIADHM COc1cc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc(Br)c1O ZINC000426818797 856496107 /nfs/dbraw/zinc/49/61/07/856496107.db2.gz GMZYJVAZIVPHHO-CQSZACIVSA-N -1 3 414.683 4.122 20 0 HIADHM COc1ccc([C@@H](NCc2ccc(-n3cnc4ccccc43)cc2)C(=O)[O-])cc1F ZINC000426828779 856502853 /nfs/dbraw/zinc/50/28/53/856502853.db2.gz ZURZSVJBKFWPLK-JOCHJYFZSA-N -1 3 405.429 4.089 20 0 HIADHM O=C([O-])[C@@H](NCc1ccc(Br)c(Br)c1)c1cccc(F)c1 ZINC000426828846 856503583 /nfs/dbraw/zinc/50/35/83/856503583.db2.gz WXCBKXJXXXGCIS-AWEZNQCLSA-N -1 3 417.072 4.266 20 0 HIADHM COc1ccc([C@@H](NCc2cccc(OCc3ccccc3F)c2)C(=O)[O-])cc1F ZINC000426837937 856506935 /nfs/dbraw/zinc/50/69/35/856506935.db2.gz YKUCVFXYZPDKNH-JOCHJYFZSA-N -1 3 413.420 4.468 20 0 HIADHM CCc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nnn1Cc1ccc(F)cc1 ZINC000427054875 856612690 /nfs/dbraw/zinc/61/26/90/856612690.db2.gz PTGPDQCHXMDEGA-UHFFFAOYSA-N -1 3 408.355 4.005 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000427183373 856697093 /nfs/dbraw/zinc/69/70/93/856697093.db2.gz VWEOAIHURQCGON-CALCHBBNSA-N -1 3 416.518 4.197 20 0 HIADHM Cc1c([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cccc1-c1ncco1 ZINC000427346787 856784764 /nfs/dbraw/zinc/78/47/64/856784764.db2.gz XOBCWUYHWIABIT-UHFFFAOYSA-N -1 3 413.430 4.386 20 0 HIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000427958788 857022924 /nfs/dbraw/zinc/02/29/24/857022924.db2.gz OFZJQSROPMNBPB-UHFFFAOYSA-N -1 3 408.216 4.350 20 0 HIADHM O=c1nc(CN(CCc2ccccc2)[C@@H]2CCOC2)[n-]c2scc(-c3ccco3)c21 ZINC000437542116 862875407 /nfs/dbraw/zinc/87/54/07/862875407.db2.gz CSHDQKBFVWRSBI-QGZVFWFLSA-N -1 3 421.522 4.491 20 0 HIADHM CCN(CC(C)(C)C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000428658735 857291784 /nfs/dbraw/zinc/29/17/84/857291784.db2.gz ARQSFWJSTHCUFQ-UHFFFAOYSA-N -1 3 406.523 4.443 20 0 HIADHM Cc1ccc(-c2nnc([N-]C(=O)c3cnc(OCc4ccccc4)cn3)s2)c(C)c1 ZINC000428921678 857415698 /nfs/dbraw/zinc/41/56/98/857415698.db2.gz ORUKKZVOQGFWKR-UHFFFAOYSA-N -1 3 417.494 4.443 20 0 HIADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1nc(C)cs1 ZINC000429820908 857897253 /nfs/dbraw/zinc/89/72/53/857897253.db2.gz CMOYTAMRZLDEDP-NSHDSACASA-N -1 3 409.758 4.297 20 0 HIADHM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1cc(Cl)ccc1Br ZINC000429826448 857899572 /nfs/dbraw/zinc/89/95/72/857899572.db2.gz KFIHXTFZHPLFED-CYBMUJFWSA-N -1 3 422.772 4.263 20 0 HIADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccn1 ZINC000429859740 857915048 /nfs/dbraw/zinc/91/50/48/857915048.db2.gz JXEPHGCUKCGJQT-LJQANCHMSA-N -1 3 423.321 4.465 20 0 HIADHM NC(=O)Nc1ccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)cc1 ZINC000430399553 858145441 /nfs/dbraw/zinc/14/54/41/858145441.db2.gz FYHOZRHIFRRPGR-UHFFFAOYSA-N -1 3 414.421 4.063 20 0 HIADHM C[C@H](CC(F)(F)F)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430573638 858223621 /nfs/dbraw/zinc/22/36/21/858223621.db2.gz HFWPLNXPDDVXGD-ZCFIWIBFSA-N -1 3 411.605 4.015 20 0 HIADHM C[C@@H](CC(F)(F)F)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430573637 858224257 /nfs/dbraw/zinc/22/42/57/858224257.db2.gz HFWPLNXPDDVXGD-LURJTMIESA-N -1 3 411.605 4.015 20 0 HIADHM O=C(Nc1cccc(-c2c[nH]nn2)c1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430585070 858227591 /nfs/dbraw/zinc/22/75/91/858227591.db2.gz VYFGYBKCCROLHX-UHFFFAOYSA-N -1 3 423.432 4.358 20 0 HIADHM O=C(Nc1cnn(CC(F)F)c1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430644907 858245907 /nfs/dbraw/zinc/24/59/07/858245907.db2.gz BAEOLALYXRVLET-UHFFFAOYSA-N -1 3 410.380 4.034 20 0 HIADHM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(F)c(NC(N)=O)c3)cc2)c1 ZINC000431183581 858492862 /nfs/dbraw/zinc/49/28/62/858492862.db2.gz YCWUTJAOWASZQF-UHFFFAOYSA-N -1 3 415.446 4.218 20 0 HIADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1ccc(Cl)cc1C(F)(F)F ZINC000431265432 858539470 /nfs/dbraw/zinc/53/94/70/858539470.db2.gz ITEMDBQHLHWLAE-UHFFFAOYSA-N -1 3 407.845 4.149 20 0 HIADHM CCCc1nc(C)c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000431269816 858541299 /nfs/dbraw/zinc/54/12/99/858541299.db2.gz OOEHINWLHHRCRQ-UHFFFAOYSA-N -1 3 413.499 4.297 20 0 HIADHM COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)[n-]1 ZINC000431323602 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HIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)cc1Cl ZINC000441739766 866829919 /nfs/dbraw/zinc/82/99/19/866829919.db2.gz LQEVHPVBSHZYTD-UHFFFAOYSA-N -1 3 405.863 4.040 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3ccc(C4CC4)c(C)c3)c2)n1 ZINC000441761317 866840665 /nfs/dbraw/zinc/84/06/65/866840665.db2.gz KWFDQDLSBHBYQK-UHFFFAOYSA-N -1 3 416.481 4.175 20 0 HIADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccc(F)c1)c1cnccc1C(F)(F)F ZINC000442767868 867669093 /nfs/dbraw/zinc/66/90/93/867669093.db2.gz SDIQEPDRLAUPAD-GOSISDBHSA-N -1 3 410.392 4.307 20 0 HIADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000443032221 867797601 /nfs/dbraw/zinc/79/76/01/867797601.db2.gz IODNEDLUQATJHK-UHFFFAOYSA-N -1 3 420.289 4.133 20 0 HIADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](C)c1c(Cl)cccc1Cl ZINC000443075503 867810972 /nfs/dbraw/zinc/81/09/72/867810972.db2.gz ZNATUEXGEFPIQU-SNVBAGLBSA-N -1 3 420.289 4.001 20 0 HIADHM Cc1csc(NC(=O)CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000443472938 868059895 /nfs/dbraw/zinc/05/98/95/868059895.db2.gz GQYMGBLMDDOURF-UHFFFAOYSA-N -1 3 418.525 4.294 20 0 HIADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000444052500 868590635 /nfs/dbraw/zinc/59/06/35/868590635.db2.gz XZYSDDXBEXEPBU-UHFFFAOYSA-N -1 3 416.247 4.372 20 0 HIADHM COc1cccc(C[N-]S(=O)(=O)c2ccccc2SC)c1OC1CCCC1 ZINC000444068156 868601345 /nfs/dbraw/zinc/60/13/45/868601345.db2.gz FRLMWAGODINPIL-UHFFFAOYSA-N -1 3 407.557 4.217 20 0 HIADHM C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000444334634 868759274 /nfs/dbraw/zinc/75/92/74/868759274.db2.gz CIKRGWYFOMXESI-CYBMUJFWSA-N -1 3 400.272 4.392 20 0 HIADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc(-c3ccccc3)nc3onc(C)c32)s1 ZINC000444484482 868850637 /nfs/dbraw/zinc/85/06/37/868850637.db2.gz SRNNFSZRXBDXSM-UHFFFAOYSA-N -1 3 417.454 4.001 20 0 HIADHM CC(C)N(CC1CCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000444526832 868869236 /nfs/dbraw/zinc/86/92/36/868869236.db2.gz PYSXMAVCONZPRC-UHFFFAOYSA-N -1 3 404.507 4.277 20 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ZINC000476311473 891221603 /nfs/dbraw/zinc/22/16/03/891221603.db2.gz DWRZOKHEOPLVKE-IBGZPJMESA-N -1 3 412.536 4.112 20 0 HIADHM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000476321652 891228875 /nfs/dbraw/zinc/22/88/75/891228875.db2.gz XYZKPWUHDXCCFK-UHFFFAOYSA-N -1 3 402.781 4.413 20 0 HIADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccc(F)cc1Br ZINC000476388159 891302713 /nfs/dbraw/zinc/30/27/13/891302713.db2.gz CRRFUXUUGLKVDR-UHFFFAOYSA-N -1 3 400.603 4.321 20 0 HIADHM CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N3CCc4nc[n-]c(=O)c4C3)c2C1 ZINC000476979294 891905959 /nfs/dbraw/zinc/90/59/59/891905959.db2.gz DRIDDQOVECOOFN-OAHLLOKOSA-N -1 3 416.525 4.080 20 0 HIADHM Cc1ccc(SCc2cccc(C(=O)N3CCc4nc[n-]c(=O)c4C3)c2)c(C)c1 ZINC000476980453 891908576 /nfs/dbraw/zinc/90/85/76/891908576.db2.gz GJDIGRAEYWUWKD-UHFFFAOYSA-N -1 3 405.523 4.290 20 0 HIADHM Cc1c(Br)scc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000477125192 892055196 /nfs/dbraw/zinc/05/51/96/892055196.db2.gz WSPJFGMFQWPAAK-UHFFFAOYSA-N -1 3 405.111 4.217 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(O)ccc3C(F)(F)F)c2)n1 ZINC000477283665 892238688 /nfs/dbraw/zinc/23/86/88/892238688.db2.gz RQOWSLKNTMVHSU-UHFFFAOYSA-N -1 3 403.360 4.388 20 0 HIADHM Cc1nc(C)c(CC(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c(=O)[n-]1 ZINC000477318919 892284070 /nfs/dbraw/zinc/28/40/70/892284070.db2.gz GYPFUJFXQONXCK-UHFFFAOYSA-N -1 3 424.206 4.228 20 0 HIADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000477347901 892315129 /nfs/dbraw/zinc/31/51/29/892315129.db2.gz HNTVBZHFGSKGIS-SNVBAGLBSA-N -1 3 400.331 4.162 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NCc3csc(-c4ccco4)n3)cc2)cc(=O)[n-]1 ZINC000477391134 892347916 /nfs/dbraw/zinc/34/79/16/892347916.db2.gz GFVXCQUOOWKWRM-UHFFFAOYSA-N -1 3 407.455 4.196 20 0 HIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2csc(-c3ccc(OC)cc3)n2)c1F ZINC000478065712 893225918 /nfs/dbraw/zinc/22/59/18/893225918.db2.gz LOOMZYIZYOUJNA-UHFFFAOYSA-N -1 3 404.394 4.136 20 0 HIADHM CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCc1c(C)nc(C)[n-]c1=O 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4.214 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@H]2OCCc3sccc32)c1Cl ZINC000490533072 904082004 /nfs/dbraw/zinc/08/20/04/904082004.db2.gz CGKATMLJHAQENR-ZUZCIYMTSA-N -1 3 406.356 4.344 20 0 HIADHM O=C(Nc1cc(Br)ccc1[O-])C1(Cc2cccc(F)c2)CCOCC1 ZINC000490673855 904166283 /nfs/dbraw/zinc/16/62/83/904166283.db2.gz QRWCXYSCTCQAAQ-UHFFFAOYSA-N -1 3 408.267 4.272 20 0 HIADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000490823067 904267776 /nfs/dbraw/zinc/26/77/76/904267776.db2.gz HTXSHGASXJNLPG-HNNXBMFYSA-N -1 3 418.419 4.017 20 0 HIADHM O=C(N[C@@H]1CCCc2occc21)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000493366243 905094043 /nfs/dbraw/zinc/09/40/43/905094043.db2.gz BOKRUXRSVVOSHW-GOSISDBHSA-N -1 3 414.458 4.027 20 0 HIADHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493934881 905287057 /nfs/dbraw/zinc/28/70/57/905287057.db2.gz GYGLWCVTDWYYPQ-OCCSQVGLSA-N -1 3 424.788 4.365 20 0 HIADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000497364639 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4.472 20 0 HIADHM COc1ccc(NC(=O)[C@@H](C)C(C)C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000498028895 907531608 /nfs/dbraw/zinc/53/16/08/907531608.db2.gz SEZQNDCZQHOMBM-ZDUSSCGKSA-N -1 3 410.923 4.380 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccccc1N1CCCCC1 ZINC000498282489 907816920 /nfs/dbraw/zinc/81/69/20/907816920.db2.gz SRQDRQTXMRLACL-UHFFFAOYSA-N -1 3 418.335 4.144 20 0 HIADHM C[C@@H](c1ccco1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000499542401 908834757 /nfs/dbraw/zinc/83/47/57/908834757.db2.gz UFZRSMNKSXHUGI-AWEZNQCLSA-N -1 3 402.447 4.053 20 0 HIADHM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000499544535 908835513 /nfs/dbraw/zinc/83/55/13/908835513.db2.gz ZUCNWRIYEVTVDM-AWEZNQCLSA-N -1 3 402.447 4.053 20 0 HIADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC000499761391 908900886 /nfs/dbraw/zinc/90/08/86/908900886.db2.gz XQWNIYHSMZKZPD-LJQANCHMSA-N -1 3 423.835 4.418 20 0 HIADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC000499761391 908900901 /nfs/dbraw/zinc/90/09/01/908900901.db2.gz XQWNIYHSMZKZPD-LJQANCHMSA-N -1 3 423.835 4.418 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C(C)(C)CSC)ccc2C)cc1 ZINC000499910251 909026344 /nfs/dbraw/zinc/02/63/44/909026344.db2.gz BXSGXWCPLLWCTC-UHFFFAOYSA-N -1 3 422.572 4.132 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(N4CCCCCC4)nc3)c2)n1 ZINC000500370694 909819482 /nfs/dbraw/zinc/81/94/82/909819482.db2.gz JMSGRSJYOGJEJV-UHFFFAOYSA-N -1 3 417.513 4.439 20 0 HIADHM C[C@H](OCCC[N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccccc1 ZINC000500653777 909994918 /nfs/dbraw/zinc/99/49/18/909994918.db2.gz FGNNAYRVQYGHLU-ZDUSSCGKSA-N -1 3 416.312 4.034 20 0 HIADHM O=S(=O)([N-][C@H]1CCSc2ccccc21)c1cc(Br)ccc1F ZINC000500697336 910029283 /nfs/dbraw/zinc/02/92/83/910029283.db2.gz JBHVSUSCKMRRNJ-ZDUSSCGKSA-N -1 3 402.310 4.104 20 0 HIADHM C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccc(Br)cc1 ZINC000501512926 910622603 /nfs/dbraw/zinc/62/26/03/910622603.db2.gz VFAZGARSRUOXGV-SNVBAGLBSA-N -1 3 413.109 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911967548 /nfs/dbraw/zinc/96/75/48/911967548.db2.gz IWPNCVVGVLTACL-UHFFFAOYSA-N -1 3 421.379 4.169 20 0 HIADHM Cc1ccc(OCCCCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000503018296 911989766 /nfs/dbraw/zinc/98/97/66/911989766.db2.gz NPPBLAINCICAED-UHFFFAOYSA-N -1 3 406.486 4.447 20 0 HIADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1Cl ZINC000503181387 912155786 /nfs/dbraw/zinc/15/57/86/912155786.db2.gz SFWRQSXBUWYZBK-LLVKDONJSA-N -1 3 415.856 4.017 20 0 HIADHM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000506632944 915302827 /nfs/dbraw/zinc/30/28/27/915302827.db2.gz VKOYWPMXUFMPKY-UHFFFAOYSA-N -1 3 418.544 4.164 20 0 HIADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCCC[C@@H]1C(F)F ZINC000507158571 915897027 /nfs/dbraw/zinc/89/70/27/915897027.db2.gz RUZVWFQJMLLNLN-GFCCVEGCSA-N -1 3 419.653 4.204 20 0 HIADHM Cc1cccc2nc(C3CCN(C(=O)c4c[n-]c5c(F)cc(F)cc5c4=O)CC3)oc21 ZINC000507326722 916085295 /nfs/dbraw/zinc/08/52/95/916085295.db2.gz OQMBKBLZXYYGJD-UHFFFAOYSA-N -1 3 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ZINC000508133672 916954505 /nfs/dbraw/zinc/95/45/05/916954505.db2.gz REECBNWTXWQDCO-UHFFFAOYSA-N -1 3 400.056 4.091 20 0 HIADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)c1 ZINC000508219176 917037745 /nfs/dbraw/zinc/03/77/45/917037745.db2.gz ARGQOHGUYINCTR-UHFFFAOYSA-N -1 3 420.712 4.058 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1Br ZINC000508252290 917071790 /nfs/dbraw/zinc/07/17/90/917071790.db2.gz AIUOLMOZQBVDRA-UHFFFAOYSA-N -1 3 417.300 4.218 20 0 HIADHM Cc1ccc(C(=O)N(C)[C@@H](C)C2CC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000508532385 917314215 /nfs/dbraw/zinc/31/42/15/917314215.db2.gz SPWKKMKQSLSKLD-ZDUSSCGKSA-N -1 3 424.925 4.459 20 0 HIADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000509220850 917919495 /nfs/dbraw/zinc/91/94/95/917919495.db2.gz RVYAYJZSLRZRSO-MRXNPFEDSA-N -1 3 409.376 4.172 20 0 HIADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1)c1c(Cl)cccc1Br ZINC000509230725 917926944 /nfs/dbraw/zinc/92/69/44/917926944.db2.gz BMDHRJIVGXMVNR-SMDDNHRTSA-N -1 3 404.688 4.076 20 0 HIADHM O=S(=O)([N-][C@H]1CCCc2c(O)cccc21)c1c(Cl)cccc1Br ZINC000509248682 917941841 /nfs/dbraw/zinc/94/18/41/917941841.db2.gz ONHSSGFLHAHRCS-AWEZNQCLSA-N -1 3 416.724 4.164 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2)n1 ZINC000509334484 918003968 /nfs/dbraw/zinc/00/39/68/918003968.db2.gz LJJRCAJTGXZZRB-UHFFFAOYSA-N -1 3 406.829 4.306 20 0 HIADHM Cc1ccc(C)n1-c1sccc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000509362207 918028116 /nfs/dbraw/zinc/02/81/16/918028116.db2.gz ZPRCLXBKKXPVTK-UHFFFAOYSA-N -1 3 404.495 4.467 20 0 HIADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1cc(Cl)ccc1C(F)(F)F ZINC000509446243 918099257 /nfs/dbraw/zinc/09/92/57/918099257.db2.gz FGXVMDIZDMWPSN-HNNXBMFYSA-N -1 3 407.841 4.151 20 0 HIADHM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000509587673 918236568 /nfs/dbraw/zinc/23/65/68/918236568.db2.gz SOUGIPKTEQIFKC-UHFFFAOYSA-N -1 3 419.305 4.414 20 0 HIADHM CCc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c2c(n1)onc2C(C)C 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ZINC000525202515 930084992 /nfs/dbraw/zinc/08/49/92/930084992.db2.gz VWZAEIPZQKJQCI-LJQANCHMSA-N -1 3 404.507 4.277 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@H](c4ccccc4C)C3)cc2)cc(=O)[n-]1 ZINC000525266389 930118496 /nfs/dbraw/zinc/11/84/96/930118496.db2.gz QWKJVRZXVYAUBS-NRFANRHFSA-N -1 3 404.470 4.071 20 0 HIADHM CCO[C@@H](C)c1nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cs1 ZINC000525350603 930189325 /nfs/dbraw/zinc/18/93/25/930189325.db2.gz OXTOYKYKMNZWFE-LBPRGKRZSA-N -1 3 413.528 4.367 20 0 HIADHM CC(C)(C)CC(=O)Nc1ccc(C=C([O-])Nc2nc(-c3ccccc3)ns2)cc1 ZINC000525561344 930329154 /nfs/dbraw/zinc/32/91/54/930329154.db2.gz VSFHDSXYMDZYBF-UHFFFAOYSA-N -1 3 408.527 4.183 20 0 HIADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000525724904 930416085 /nfs/dbraw/zinc/41/60/85/930416085.db2.gz YKIFUJCQTKAKGS-CHWSQXEVSA-N -1 3 409.349 4.037 20 0 HIADHM CCC(C)(C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000527190118 930609351 /nfs/dbraw/zinc/60/93/51/930609351.db2.gz 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COc1cc(Br)ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000530777734 930821729 /nfs/dbraw/zinc/82/17/29/930821729.db2.gz PWKCPALYZNNHKJ-UHFFFAOYSA-N -1 3 401.054 4.178 20 0 HIADHM C[C@H]1c2ccccc2CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000530886612 930849387 /nfs/dbraw/zinc/84/93/87/930849387.db2.gz WMGZHBCGXTYHEG-INIZCTEOSA-N -1 3 424.497 4.386 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000531236078 930977258 /nfs/dbraw/zinc/97/72/58/930977258.db2.gz OZQAIVSWRKJSCK-OAHLLOKOSA-N -1 3 423.296 4.341 20 0 HIADHM O=C(CCC(=O)N1CCSc2ccccc21)Nc1cc(Br)ccc1[O-] ZINC000531254232 930983248 /nfs/dbraw/zinc/98/32/48/930983248.db2.gz UNXSPIFFKADQCY-UHFFFAOYSA-N -1 3 421.316 4.012 20 0 HIADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(CC)no3)ccc2C)cc1C ZINC000531429897 931053543 /nfs/dbraw/zinc/05/35/43/931053543.db2.gz NDGLBDZHCCBGOZ-UHFFFAOYSA-N -1 3 401.488 4.115 20 0 HIADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(Oc4ccccc4)c3)no2)c(C)o1 ZINC000531437651 931056891 /nfs/dbraw/zinc/05/68/91/931056891.db2.gz FPKHAVVNMLKKET-UHFFFAOYSA-N -1 3 411.439 4.005 20 0 HIADHM CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000531492697 931077766 /nfs/dbraw/zinc/07/77/66/931077766.db2.gz LTNWAQGRSLVINY-JTQLQIEISA-N -1 3 409.305 4.232 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(c2ccccc2F)CC1 ZINC000531751692 931182487 /nfs/dbraw/zinc/18/24/87/931182487.db2.gz WMURESIGSDJQNW-UHFFFAOYSA-N -1 3 407.283 4.383 20 0 HIADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1OCC1CCOCC1 ZINC000532025070 931288682 /nfs/dbraw/zinc/28/86/82/931288682.db2.gz VFRGTMCDJIGOGC-UHFFFAOYSA-N -1 3 424.472 4.342 20 0 HIADHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNCc2cc(F)c(F)c(F)c2)cc1 ZINC000532139425 931326708 /nfs/dbraw/zinc/32/67/08/931326708.db2.gz FDYLUIFOXZMDIB-UHFFFAOYSA-N -1 3 424.419 4.334 20 0 HIADHM CCOCCCn1c2ccccc2nc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000532667200 931576164 /nfs/dbraw/zinc/57/61/64/931576164.db2.gz GAKCETCXSPVCOZ-UHFFFAOYSA-N -1 3 422.460 4.004 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nccn2Cc2ccccc2)CC1 ZINC000532829024 931644458 /nfs/dbraw/zinc/64/44/58/931644458.db2.gz RHYCMGAPKBDOAT-UHFFFAOYSA-N -1 3 424.932 4.141 20 0 HIADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3c3ccccc3Cl)nc(=O)c2c1C ZINC000532920324 931694475 /nfs/dbraw/zinc/69/44/75/931694475.db2.gz XLZHMZPWRAHMGG-CQSZACIVSA-N -1 3 417.918 4.070 20 0 HIADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000533111012 931773104 /nfs/dbraw/zinc/77/31/04/931773104.db2.gz RMXJFCBYRGOUMK-ILBGXUMGSA-N -1 3 414.505 4.100 20 0 HIADHM CCC(CC)n1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000533131272 931776815 /nfs/dbraw/zinc/77/68/15/931776815.db2.gz XJAOQAXEJNMTSI-UHFFFAOYSA-N -1 3 404.942 4.454 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000533158604 931791226 /nfs/dbraw/zinc/79/12/26/931791226.db2.gz IJIVUQNAULXOTK-UHFFFAOYSA-N -1 3 416.836 4.422 20 0 HIADHM COc1cc2nc([N-]C(=O)c3cc(-c4ccc5c(c4)CCO5)no3)sc2cc1OC ZINC000533224187 931814059 /nfs/dbraw/zinc/81/40/59/931814059.db2.gz FKYJOEGVDLMFMH-UHFFFAOYSA-N -1 3 423.450 4.156 20 0 HIADHM Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)o1 ZINC000533251438 931819651 /nfs/dbraw/zinc/81/96/51/931819651.db2.gz VSQRYWOWXXMERN-KRWDZBQOSA-N -1 3 413.437 4.073 20 0 HIADHM COC(=O)[C@H](c1ccccc1)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000533533644 931895901 /nfs/dbraw/zinc/89/59/01/931895901.db2.gz SAVXJZZVMHLFFJ-SFHVURJKSA-N -1 3 409.467 4.003 20 0 HIADHM COc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1-c1ccccn1 ZINC000533651077 931946671 /nfs/dbraw/zinc/94/66/71/931946671.db2.gz PUSMXIDXFPQXKV-UHFFFAOYSA-N -1 3 413.271 4.155 20 0 HIADHM COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000533963989 932138688 /nfs/dbraw/zinc/13/86/88/932138688.db2.gz HLFXJUGHKAOMQB-UHFFFAOYSA-N -1 3 401.415 4.456 20 0 HIADHM COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000533965128 932139948 /nfs/dbraw/zinc/13/99/48/932139948.db2.gz NZXYTSIEWXMAKK-JTQLQIEISA-N -1 3 410.289 4.061 20 0 HIADHM CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)Nc1nnc(C(F)(F)F)[n-]1)OCC3 ZINC000534064964 932243063 /nfs/dbraw/zinc/24/30/63/932243063.db2.gz KXADNEAQSPDAGP-IBGZPJMESA-N -1 3 421.423 4.074 20 0 HIADHM CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)Nc1nc(C(F)(F)F)n[n-]1)OCC3 ZINC000534064964 932243072 /nfs/dbraw/zinc/24/30/72/932243072.db2.gz KXADNEAQSPDAGP-IBGZPJMESA-N -1 3 421.423 4.074 20 0 HIADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccn1 ZINC000534069861 932248570 /nfs/dbraw/zinc/24/85/70/932248570.db2.gz HPCTXHKVLDAIBT-LJQANCHMSA-N -1 3 423.321 4.465 20 0 HIADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(N2CCCC2=O)ccc1Cl ZINC000534076312 932254119 /nfs/dbraw/zinc/25/41/19/932254119.db2.gz RXILRYLYCDHJMA-UHFFFAOYSA-N -1 3 409.667 4.187 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@@H]1CCC[C@@H]1C ZINC000534451934 932467644 /nfs/dbraw/zinc/46/76/44/932467644.db2.gz DONATPJHBHREDG-HOCLYGCPSA-N -1 3 404.507 4.101 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCn3ccc4cc(Cl)ccc43)cc2)n1 ZINC000534642823 932615400 /nfs/dbraw/zinc/61/54/00/932615400.db2.gz ZBNDJWJKTJDZLN-UHFFFAOYSA-N -1 3 406.873 4.382 20 0 HIADHM CCOc1ccc(F)c(NC(=O)NCc2ccc([O-])c(Br)c2)c1F ZINC000534776909 932757329 /nfs/dbraw/zinc/75/73/29/932757329.db2.gz OIZPEXRPBHQOLB-UHFFFAOYSA-N -1 3 401.207 4.153 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000535143931 932962590 /nfs/dbraw/zinc/96/25/90/932962590.db2.gz VWOVJHFXPWRWPD-UOXLDJKESA-N -1 3 411.932 4.172 20 0 HIADHM CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000535421048 933127862 /nfs/dbraw/zinc/12/78/62/933127862.db2.gz GAFVPENMHQXQAX-UHFFFAOYSA-N -1 3 416.886 4.123 20 0 HIADHM CN1CC[C@@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535689060 933343416 /nfs/dbraw/zinc/34/34/16/933343416.db2.gz BXQGCNQJOZKBSK-MGPUTAFESA-N -1 3 422.909 4.197 20 0 HIADHM CN1CC[C@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535689062 933344260 /nfs/dbraw/zinc/34/42/60/933344260.db2.gz BXQGCNQJOZKBSK-QRWLVFNGSA-N 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ZINC000538016826 938463296 /nfs/dbraw/zinc/46/32/96/938463296.db2.gz ULYOJRYBKCRJOT-QMMMGPOBSA-N -1 3 409.758 4.161 20 0 HIADHM Cc1nc(C)c(CCC(=O)NCCSCc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000538267641 938579497 /nfs/dbraw/zinc/57/94/97/938579497.db2.gz MURYQXKPGMCCNP-UHFFFAOYSA-N -1 3 414.358 4.088 20 0 HIADHM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2sc(C)cc2Br)c1 ZINC000538285199 938583224 /nfs/dbraw/zinc/58/32/24/938583224.db2.gz WJTRUSIYSWNJEA-ZFWWWQNUSA-N -1 3 416.362 4.052 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)CCCc2ccccc2)cc1OC ZINC000538307762 938588927 /nfs/dbraw/zinc/58/89/27/938588927.db2.gz FZYWNFYKAIBLAW-INIZCTEOSA-N -1 3 404.532 4.054 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)c(C)c1 ZINC000538497369 938635600 /nfs/dbraw/zinc/63/56/00/938635600.db2.gz QATKQSQSCWKUFH-UHFFFAOYSA-N -1 3 409.467 4.316 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(c3ccccc3)CCCC2)c1 ZINC000538829345 938721361 /nfs/dbraw/zinc/72/13/61/938721361.db2.gz HOUOGJXQGSNNOE-UHFFFAOYSA-N -1 3 419.481 4.183 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1Br ZINC000539117957 938805416 /nfs/dbraw/zinc/80/54/16/938805416.db2.gz QBFHIQATLBSCDK-UHFFFAOYSA-N -1 3 400.294 4.046 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@H](C)c3c(F)cccc3F)nc(=O)c2c1C ZINC000539228209 938822184 /nfs/dbraw/zinc/82/21/84/938822184.db2.gz XPLDVVROQQFZLI-GHMZBOCLSA-N -1 3 421.469 4.160 20 0 HIADHM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000540039858 939046486 /nfs/dbraw/zinc/04/64/86/939046486.db2.gz ZOIDLYTUFTWXGV-UHFFFAOYSA-N -1 3 402.516 4.105 20 0 HIADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC000540062555 939055750 /nfs/dbraw/zinc/05/57/50/939055750.db2.gz UZGLPLSKUQAPJO-UHFFFAOYSA-N -1 3 422.310 4.299 20 0 HIADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1 ZINC000540210907 939129580 /nfs/dbraw/zinc/12/95/80/939129580.db2.gz JZMPCNGGLCIDHU-UHFFFAOYSA-N -1 3 424.588 4.461 20 0 HIADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000540210907 939129584 /nfs/dbraw/zinc/12/95/84/939129584.db2.gz JZMPCNGGLCIDHU-UHFFFAOYSA-N -1 3 424.588 4.461 20 0 HIADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(NC(=O)C2CC2)cc1 ZINC000540355250 939205765 /nfs/dbraw/zinc/20/57/65/939205765.db2.gz WXVUXUCJTLDCAC-ZDUSSCGKSA-N -1 3 402.454 4.281 20 0 HIADHM Cc1nc(C)c(CCC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)c(=O)[n-]1 ZINC000540790768 939373599 /nfs/dbraw/zinc/37/35/99/939373599.db2.gz RZIQMYYDGXLLPB-HXUWFJFHSA-N -1 3 411.546 4.107 20 0 HIADHM Cn1ccnc1-c1noc([N-]Cc2ccc(-c3cccc(Br)c3)o2)n1 ZINC000540807661 939379074 /nfs/dbraw/zinc/37/90/74/939379074.db2.gz HDTZFAPWLJLUAB-UHFFFAOYSA-N -1 3 400.236 4.105 20 0 HIADHM CCOC(=O)c1cc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)[n-]n1 ZINC000540882511 939409176 /nfs/dbraw/zinc/40/91/76/939409176.db2.gz XMIBVCUGVRITQX-UHFFFAOYSA-N -1 3 409.229 4.109 20 0 HIADHM CCOC(=O)c1cc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)n[n-]1 ZINC000540882511 939409179 /nfs/dbraw/zinc/40/91/79/939409179.db2.gz XMIBVCUGVRITQX-UHFFFAOYSA-N -1 3 409.229 4.109 20 0 HIADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)C2)C1 ZINC000541045952 939440840 /nfs/dbraw/zinc/44/08/40/939440840.db2.gz ZBYBOOLXXQNOMY-OPAMFIHVSA-N -1 3 416.518 4.279 20 0 HIADHM O=S(=O)([N-][C@@H](CCc1ccccc1)C(F)(F)F)c1ccccc1-c1ccno1 ZINC000541124642 939469534 /nfs/dbraw/zinc/46/95/34/939469534.db2.gz YGDMYJZNJDOJBD-SFHVURJKSA-N -1 3 410.417 4.184 20 0 HIADHM Cn1c(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)nnc1C1CCC1 ZINC000541159956 939481442 /nfs/dbraw/zinc/48/14/42/939481442.db2.gz LUHAMERCAMOGSF-UHFFFAOYSA-N -1 3 413.528 4.486 20 0 HIADHM Cc1ncc(CNC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)c(=O)[n-]1 ZINC000541457380 939522191 /nfs/dbraw/zinc/52/21/91/939522191.db2.gz COCQNECUSKINHT-UHFFFAOYSA-N -1 3 404.445 4.027 20 0 HIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c2ccccc12 ZINC000541824651 939643407 /nfs/dbraw/zinc/64/34/07/939643407.db2.gz CBYHSZAWZGQMSU-GOSISDBHSA-N -1 3 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COc1ccc(N(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1F ZINC000436632405 861875957 /nfs/dbraw/zinc/87/59/57/861875957.db2.gz YYUUEPMWCOLFHP-OAQYLSRUSA-N -1 3 422.456 4.064 20 0 HIADHM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])n2)s1 ZINC000436634774 861876714 /nfs/dbraw/zinc/87/67/14/861876714.db2.gz LIZFYZIYWDQMDY-HNNXBMFYSA-N -1 3 413.524 4.129 20 0 HIADHM CCC[C@@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000041475816 848218219 /nfs/dbraw/zinc/21/82/19/848218219.db2.gz AIEBIKWASWPWSF-MRXNPFEDSA-N -1 3 404.532 4.065 20 0 HIADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cnn2c1nccc2-c1ccccc1 ZINC000041612887 848235676 /nfs/dbraw/zinc/23/56/76/848235676.db2.gz VMFLBMVXDLEKMK-UHFFFAOYSA-N -1 3 412.478 4.091 20 0 HIADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1cc(F)ccc1F ZINC000436662404 861886756 /nfs/dbraw/zinc/88/67/56/861886756.db2.gz BZDLBUCWANSEHM-GOSISDBHSA-N -1 3 415.396 4.100 20 0 HIADHM CN(CCC(F)(F)F)[C@H](CNC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC000436651774 861881850 /nfs/dbraw/zinc/88/18/50/861881850.db2.gz IBCISGFSDMMKNE-MRXNPFEDSA-N -1 3 416.827 4.107 20 0 HIADHM O=C(N[C@H](CC(=O)N1CC(c2ccccc2F)C1)c1ccccc1)c1ccc([O-])cc1 ZINC000436654067 861883075 /nfs/dbraw/zinc/88/30/75/861883075.db2.gz CVPWSUBYHVVEKB-HSZRJFAPSA-N -1 3 418.468 4.019 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@](CO)(c2ccccc2)C1 ZINC000436658284 861884377 /nfs/dbraw/zinc/88/43/77/861884377.db2.gz UGEZENUOJWDKJC-SANMLTNESA-N -1 3 401.506 4.149 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c1 ZINC000436668979 861888348 /nfs/dbraw/zinc/88/83/48/861888348.db2.gz GQIKUOCJQNFALG-RDJZCZTQSA-N -1 3 419.481 4.268 20 0 HIADHM CN1CCCN(c2ccc(-c3noc(-c4ccc([O-])cc4F)n3)cc2Cl)CC1 ZINC000436688116 861894143 /nfs/dbraw/zinc/89/41/43/861894143.db2.gz KNIJBFFLGVSHBY-UHFFFAOYSA-N -1 3 402.857 4.044 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1 ZINC000436672395 861889966 /nfs/dbraw/zinc/88/99/66/861889966.db2.gz 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CCc1sc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])nc1-c1ccccc1 ZINC000436716101 861903104 /nfs/dbraw/zinc/90/31/04/861903104.db2.gz ZJKAFWZGCGAGQW-KRWDZBQOSA-N -1 3 421.522 4.321 20 0 HIADHM COc1cccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)c1[O-] ZINC000436732586 861916743 /nfs/dbraw/zinc/91/67/43/861916743.db2.gz RWQSFGJNCXWGFS-UHFFFAOYSA-N -1 3 410.401 4.053 20 0 HIADHM Cc1ccc(NC(=S)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000044232607 848535484 /nfs/dbraw/zinc/53/54/84/848535484.db2.gz XWCRGFLGRPSNOU-UHFFFAOYSA-N -1 3 403.935 4.402 20 0 HIADHM Cc1ccc(Cl)c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])nc12 ZINC000436729694 861913482 /nfs/dbraw/zinc/91/34/82/861913482.db2.gz BJZNVINKMXUWGX-QGZVFWFLSA-N -1 3 409.873 4.146 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC(C2CCCCC2)C1 ZINC000436730131 861913653 /nfs/dbraw/zinc/91/36/53/861913653.db2.gz VILMZGQPGFNYNW-HSZRJFAPSA-N -1 3 406.526 4.292 20 0 HIADHM CC1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H]2CCC[C@@H]21 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CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000065646712 852208609 /nfs/dbraw/zinc/20/86/09/852208609.db2.gz LDABZEBYRVWOGS-UHFFFAOYSA-N -1 3 420.513 4.226 20 0 HIADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)cc1 ZINC000065833295 852275094 /nfs/dbraw/zinc/27/50/94/852275094.db2.gz YOOSZTQVMGSUMZ-UHFFFAOYSA-N -1 3 416.543 4.429 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3cccc(Cl)c3)nc(=O)c2c1C ZINC000069036849 852380857 /nfs/dbraw/zinc/38/08/57/852380857.db2.gz JXUCOFTUZHQXLV-LBPRGKRZSA-N -1 3 419.934 4.316 20 0 HIADHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCCC1)c1cc(Cl)ccc1Cl ZINC000069081585 852382885 /nfs/dbraw/zinc/38/28/85/852382885.db2.gz KNBCDOXUMZKNSY-OAHLLOKOSA-N -1 3 403.331 4.092 20 0 HIADHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1Cl ZINC000069099132 852383392 /nfs/dbraw/zinc/38/33/92/852383392.db2.gz OLJPQWDIPYUFGK-OAHLLOKOSA-N -1 3 407.750 4.228 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC ZINC000072005594 852460927 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O=C(Nc1cc(Cl)ccc1[O-])c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC000111210947 853222879 /nfs/dbraw/zinc/22/28/79/853222879.db2.gz WWITUFYDDAUCSQ-HXUWFJFHSA-N -1 3 408.841 4.240 20 0 HIADHM CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2C1 ZINC000118327222 853367775 /nfs/dbraw/zinc/36/77/75/853367775.db2.gz IFIQHAXYTHXLOL-UHFFFAOYSA-N -1 3 419.481 4.074 20 0 HIADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000123041395 853369166 /nfs/dbraw/zinc/36/91/66/853369166.db2.gz KLJRPVPUGBSWBO-UHFFFAOYSA-N -1 3 423.101 4.460 20 0 HIADHM CN(Cc1csc(Br)c1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000144110907 853529294 /nfs/dbraw/zinc/52/92/94/853529294.db2.gz RCTZTWZGXPEMJL-UHFFFAOYSA-N -1 3 404.289 4.125 20 0 HIADHM Cc1ccc(-n2ncc(C(=O)[N-]c3nnc(C(F)F)s3)c2C(F)(F)F)cc1 ZINC000144548939 853536709 /nfs/dbraw/zinc/53/67/09/853536709.db2.gz YIWHVFCEMFNSBW-UHFFFAOYSA-N -1 3 403.336 4.241 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)nc4onc(C(C)C)c43)c2)n1 ZINC000195692321 853761711 /nfs/dbraw/zinc/76/17/11/853761711.db2.gz AIGMTSDLMXRCEO-UHFFFAOYSA-N -1 3 417.469 4.220 20 0 HIADHM CCOc1cc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)cc(Br)c1[O-] ZINC000206982752 853800781 /nfs/dbraw/zinc/80/07/81/853800781.db2.gz NGHMYZCXCUPZBE-CLTKARDFSA-N -1 3 416.271 4.334 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3nc4ccccc4s3)c2)n1 ZINC000211252548 853815831 /nfs/dbraw/zinc/81/58/31/853815831.db2.gz AIYLRJQJIROCLD-KHPPLWFESA-N -1 3 402.479 4.261 20 0 HIADHM Nc1c(Cl)c(Cl)nc(C(=O)[N-]N=Cc2ccc(Br)cc2)c1Cl ZINC000254816287 854215050 /nfs/dbraw/zinc/21/50/50/854215050.db2.gz LQFRPEGPGZFRIK-UHFFFAOYSA-N -1 3 422.497 4.150 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCCC[C@H]3C)c2)cc1 ZINC000301384512 854378547 /nfs/dbraw/zinc/37/85/47/854378547.db2.gz HIRDFNFPQFXZRX-IERDGZPVSA-N -1 3 416.543 4.113 20 0 HIADHM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1ccc(Cl)cc1C(F)(F)F ZINC000301492551 854407144 /nfs/dbraw/zinc/40/71/44/854407144.db2.gz LKNIPVLBJBPRMP-UHFFFAOYSA-N -1 3 402.825 4.361 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ccc(-n4ccnc4C)cc3)nc2)n1 ZINC000301752675 854459637 /nfs/dbraw/zinc/45/96/37/854459637.db2.gz VRROJZJJGFPAKJ-HNNXBMFYSA-N -1 3 400.486 4.474 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](c3ccccn3)c3ccccc3OC)nc2)n1 ZINC000301872156 854481493 /nfs/dbraw/zinc/48/14/93/854481493.db2.gz KOICAIAOMRYGSB-QHCPKHFHSA-N -1 3 413.481 4.412 20 0 HIADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000437310359 862573583 /nfs/dbraw/zinc/57/35/83/862573583.db2.gz ZAYQZPFXSIYZAH-MRVPVSSYSA-N -1 3 414.858 4.001 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCNc3cccc(Br)c3)nc2)n1 ZINC000302049321 854522880 /nfs/dbraw/zinc/52/28/80/854522880.db2.gz OJMBNUIRTDTLDR-UHFFFAOYSA-N -1 3 414.307 4.093 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nc2)n1 ZINC000302502647 854576763 /nfs/dbraw/zinc/57/67/63/854576763.db2.gz PFNZNSBDVWZKRV-IAGOWNOFSA-N -1 3 413.522 4.054 20 0 HIADHM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000303087946 854755104 /nfs/dbraw/zinc/75/51/04/854755104.db2.gz HFBMMPPWTWHKNI-UHFFFAOYSA-N -1 3 410.528 4.452 20 0 HIADHM CCCO[C@@H]1CCCN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)CC1 ZINC000303385108 854902789 /nfs/dbraw/zinc/90/27/89/854902789.db2.gz NKVFVPAQBLOKHW-HUUCEWRRSA-N -1 3 421.563 4.224 20 0 HIADHM CN(Cc1cscn1)Cc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000303449977 854948664 /nfs/dbraw/zinc/94/86/64/854948664.db2.gz DSGVBAFHRRKPHD-UHFFFAOYSA-N -1 3 404.495 4.281 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1Br ZINC000303515880 855003496 /nfs/dbraw/zinc/00/34/96/855003496.db2.gz UKEJRENKVUHNPT-UHFFFAOYSA-N -1 3 413.312 4.298 20 0 HIADHM O=C1Nc2ccc(S(=O)(=O)[N-]c3cc(Br)ccc3F)c3cccc1c23 ZINC000303537361 855022978 /nfs/dbraw/zinc/02/29/78/855022978.db2.gz SYLBYYHXZDUCOX-UHFFFAOYSA-N -1 3 421.247 4.108 20 0 HIADHM CC(C)CN(CC(C)C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000303545336 855032032 /nfs/dbraw/zinc/03/20/32/855032032.db2.gz IOCZNOYLSMCZSL-UHFFFAOYSA-N -1 3 406.523 4.381 20 0 HIADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000303878531 855266775 /nfs/dbraw/zinc/26/67/75/855266775.db2.gz JAAWDMCRMADLEV-JKSUJKDBSA-N -1 3 404.507 4.277 20 0 HIADHM O=c1nc(Cn2cc(Br)cn2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000303955399 855318658 /nfs/dbraw/zinc/31/86/58/855318658.db2.gz XANFSAUCNWYILI-UHFFFAOYSA-N -1 3 405.252 4.210 20 0 HIADHM COC(=O)c1sc2[n-]c(CN(Cc3ccoc3)C3CCCCC3)nc(=O)c2c1C ZINC000303958184 855320502 /nfs/dbraw/zinc/32/05/02/855320502.db2.gz YGGMRNLQIQJOHI-UHFFFAOYSA-N -1 3 415.515 4.420 20 0 HIADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cccc([N+](=O)[O-])c1Br ZINC000321598333 855391591 /nfs/dbraw/zinc/39/15/91/855391591.db2.gz FQXIZFHMVLBGEH-UHFFFAOYSA-N -1 3 413.640 4.268 20 0 HIADHM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1ccc(Br)c(F)c1 ZINC000326136215 855407445 /nfs/dbraw/zinc/40/74/45/855407445.db2.gz RNXJGEBCNLRKSV-UHFFFAOYSA-N -1 3 413.312 4.379 20 0 HIADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1F ZINC000391485011 855460039 /nfs/dbraw/zinc/46/00/39/855460039.db2.gz UYFHCXXSLMXXDD-UHFFFAOYSA-N -1 3 412.202 4.086 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)c3ccc(Br)s3)cc2)n1 ZINC000409612640 855565081 /nfs/dbraw/zinc/56/50/81/855565081.db2.gz QTYJUGDDXVFUPI-NSHDSACASA-N -1 3 418.316 4.312 20 0 HIADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1(c2cncc(Br)c2)CC1 ZINC000409983468 855762090 /nfs/dbraw/zinc/76/20/90/855762090.db2.gz MJXXVVVBOYPHGF-UHFFFAOYSA-N -1 3 424.258 4.046 20 0 HIADHM COc1cccc(Cc2nnc([N-]C(=O)c3sccc3Br)s2)c1 ZINC000410299107 855914410 /nfs/dbraw/zinc/91/44/10/855914410.db2.gz WTJJFCQMTFCINO-UHFFFAOYSA-N -1 3 410.318 4.214 20 0 HIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000425981660 856029718 /nfs/dbraw/zinc/02/97/18/856029718.db2.gz SASUWVVFJLZWFV-UHFFFAOYSA-N -1 3 402.516 4.405 20 0 HIADHM Cc1cc(Br)oc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000426302257 856232835 /nfs/dbraw/zinc/23/28/35/856232835.db2.gz HSVJEPCPYJKBLU-UHFFFAOYSA-N -1 3 412.696 4.699 20 0 HIADHM Cc1ccc(OCc2nc(CNC[C@@H](Cc3ccccc3C)C(=O)[O-])cs2)cc1 ZINC000426648032 856392415 /nfs/dbraw/zinc/39/24/15/856392415.db2.gz PSUZLHVWBIOEPF-LJQANCHMSA-N -1 3 410.539 4.372 20 0 HIADHM COc1cc(CNCc2ccccc2CC(=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000426692366 856416660 /nfs/dbraw/zinc/41/66/60/856416660.db2.gz RCBQKXXHKXQJPD-UHFFFAOYSA-N -1 3 409.457 4.330 20 0 HIADHM Cc1ccc([C@H](NCc2ccc(OC(F)F)c(Br)c2)C(=O)[O-])cc1 ZINC000426703823 856421124 /nfs/dbraw/zinc/42/11/24/856421124.db2.gz NSFMENMWBDLWES-HNNXBMFYSA-N -1 3 400.219 4.274 20 0 HIADHM O=C([O-])[C@H](CSCCc1ccccc1)NCc1ccc(F)cc1Br ZINC000426725179 856437041 /nfs/dbraw/zinc/43/70/41/856437041.db2.gz AUDDVBGJZNJHHN-KRWDZBQOSA-N -1 3 412.324 4.107 20 0 HIADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc(Br)c1OC ZINC000426731254 856441015 /nfs/dbraw/zinc/44/10/15/856441015.db2.gz DJUQQYLODGMKBJ-GOSISDBHSA-N -1 3 422.319 4.389 20 0 HIADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1ccc(-c2ccncc2)cc1F ZINC000426733578 856442008 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O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000437950818 863324579 /nfs/dbraw/zinc/32/45/79/863324579.db2.gz VEVWGMHMHLFICO-UHFFFAOYSA-N -1 3 400.373 4.066 20 0 HIADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000437950818 863324588 /nfs/dbraw/zinc/32/45/88/863324588.db2.gz VEVWGMHMHLFICO-UHFFFAOYSA-N -1 3 400.373 4.066 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)nc21 ZINC000438338957 863812182 /nfs/dbraw/zinc/81/21/82/863812182.db2.gz BXJDBUCUVIQOGM-UHFFFAOYSA-N -1 3 424.844 4.229 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sc(-c4ccc(F)cc4)nc3C)nc21 ZINC000438342314 863813826 /nfs/dbraw/zinc/81/38/26/863813826.db2.gz NLDVROMOESDPLT-UHFFFAOYSA-N -1 3 410.430 4.173 20 0 HIADHM CC1(C)CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000438508964 863931541 /nfs/dbraw/zinc/93/15/41/863931541.db2.gz NWEJGCFOMZUWPF-UHFFFAOYSA-N -1 3 404.507 4.279 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1Br ZINC000438772507 864267817 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CC(C)c1ccc(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)c([O-])c1 ZINC000440289580 865541099 /nfs/dbraw/zinc/54/10/99/865541099.db2.gz CVWBAVGKLLUNPB-MRXNPFEDSA-N -1 3 414.933 4.085 20 0 HIADHM CCC(CC)(C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000440372024 865660103 /nfs/dbraw/zinc/66/01/03/865660103.db2.gz DEDCPZWDNZDXPD-UHFFFAOYSA-N -1 3 404.532 4.153 20 0 HIADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000440711700 865871943 /nfs/dbraw/zinc/87/19/43/865871943.db2.gz OJEGPZBHVLFIDR-NSHDSACASA-N -1 3 417.387 4.347 20 0 HIADHM CC[C@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000441069620 866155532 /nfs/dbraw/zinc/15/55/32/866155532.db2.gz WMOCZDCDSFWUKN-INIZCTEOSA-N -1 3 409.511 4.430 20 0 HIADHM O=S(=O)([N-]Cc1cccc(COCC(F)(F)F)c1)c1ccc(Cl)cc1F ZINC000441863227 866928949 /nfs/dbraw/zinc/92/89/49/866928949.db2.gz GCMTVXSLQMCLCS-UHFFFAOYSA-N -1 3 411.804 4.037 20 0 HIADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000442230847 867264758 /nfs/dbraw/zinc/26/47/58/867264758.db2.gz GLUKDAGSSKXRBD-QZTJIDSGSA-N -1 3 415.433 4.189 20 0 HIADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000442333244 867330734 /nfs/dbraw/zinc/33/07/34/867330734.db2.gz KXDHLJKJECVTFH-UHFFFAOYSA-N -1 3 418.696 4.080 20 0 HIADHM O=S(=O)([N-][C@H]1CC=C(c2ccc(F)cc2)CC1)c1cnccc1C(F)(F)F ZINC000442759668 867667431 /nfs/dbraw/zinc/66/74/31/867667431.db2.gz RUWBATOAMGTMRG-HNNXBMFYSA-N -1 3 400.397 4.154 20 0 HIADHM COCc1nc(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)c(-c2ccccc2)s1 ZINC000443233361 867883918 /nfs/dbraw/zinc/88/39/18/867883918.db2.gz JRAFJCMDDBJIEY-UHFFFAOYSA-N -1 3 409.442 5.003 20 0 HIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(Cl)c2)cc1 ZINC000443416184 868000536 /nfs/dbraw/zinc/00/05/36/868000536.db2.gz MTIVGTRPXQJHNP-UHFFFAOYSA-N -1 3 422.812 4.040 20 0 HIADHM CC1(C)Cc2cccc(S(=O)(=O)[N-][C@@H](c3c[nH]c4ccccc43)C(F)(F)F)c2O1 ZINC000443451474 868040564 /nfs/dbraw/zinc/04/05/64/868040564.db2.gz 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ZINC000483351843 898987461 /nfs/dbraw/zinc/98/74/61/898987461.db2.gz GRAZGJSOEFCALR-UHFFFAOYSA-N -1 3 415.234 4.429 20 0 HIADHM CCc1ccccc1N(C(C)=O)c1nc(CSc2ncc(C(=O)OC)[n-]2)cs1 ZINC000484578195 900045345 /nfs/dbraw/zinc/04/53/45/900045345.db2.gz WFIDTEZRZDNQEY-UHFFFAOYSA-N -1 3 416.528 4.192 20 0 HIADHM Cc1ccc(-c2csc(C[S@](=O)Cc3nc(C(F)(F)F)cc(=O)[n-]3)n2)cc1 ZINC000505724533 914405743 /nfs/dbraw/zinc/40/57/43/914405743.db2.gz ALZWGAHTJYSANQ-HHHXNRCGSA-N -1 3 413.446 4.082 20 0 HIADHM CCSc1cccc(F)c1[N-]C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000484922619 900296005 /nfs/dbraw/zinc/29/60/05/900296005.db2.gz CAADFVUIWGQPDK-UHFFFAOYSA-N -1 3 422.547 4.411 20 0 HIADHM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485128716 900431717 /nfs/dbraw/zinc/43/17/17/900431717.db2.gz XMXUXHAYBMONLS-MLGOLLRUSA-N -1 3 401.426 4.065 20 0 HIADHM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485128716 900431722 /nfs/dbraw/zinc/43/17/22/900431722.db2.gz XMXUXHAYBMONLS-MLGOLLRUSA-N -1 3 401.426 4.065 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1NC(=O)c1ccncc1 ZINC000485386557 900682134 /nfs/dbraw/zinc/68/21/34/900682134.db2.gz JSESPQRTBRXGPS-UHFFFAOYSA-N -1 3 413.474 4.199 20 0 HIADHM O=c1c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cccn1Cc1ccccc1 ZINC000485398025 900695839 /nfs/dbraw/zinc/69/58/39/900695839.db2.gz FGHRDKWMYHVWID-UHFFFAOYSA-N -1 3 409.294 4.004 20 0 HIADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(F)c1 ZINC000485400019 900697669 /nfs/dbraw/zinc/69/76/69/900697669.db2.gz QCJVOVILVZYXKG-UHFFFAOYSA-N -1 3 404.438 4.356 20 0 HIADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000485404889 900703609 /nfs/dbraw/zinc/70/36/09/900703609.db2.gz LITGCIIHLAJGJC-UHFFFAOYSA-N -1 3 417.462 4.083 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C(C)(C)C3CC3)ccc2C)cc1 ZINC000485421048 900718341 /nfs/dbraw/zinc/71/83/41/900718341.db2.gz JNGHLHSFABFRNY-UHFFFAOYSA-N -1 3 402.516 4.179 20 0 HIADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cc(Br)c(F)cc1F ZINC000485457137 900751707 /nfs/dbraw/zinc/75/17/07/900751707.db2.gz YKEJXDITFLMNGM-UHFFFAOYSA-N -1 3 400.603 4.321 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H](c1ccccc1)c1ccncc1 ZINC000485606915 900865953 /nfs/dbraw/zinc/86/59/53/900865953.db2.gz GKCIGCZTFJLSAO-LJQANCHMSA-N -1 3 412.287 4.139 20 0 HIADHM CCCCc1nc(NC(=O)c2cnn(C3CCCCC3)c2C)c(C(=O)OCC)[n-]1 ZINC000485671010 900921611 /nfs/dbraw/zinc/92/16/11/900921611.db2.gz MVMRLDKSBSHVQN-UHFFFAOYSA-N -1 3 401.511 4.191 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nc(C)sc3Br)c2)n1 ZINC000485746667 901001094 /nfs/dbraw/zinc/00/10/94/901001094.db2.gz JJPMUFGIQOTJAZ-UHFFFAOYSA-N -1 3 419.304 4.191 20 0 HIADHM O=c1cc(C=CC2=Cc3cc(Br)ccc3OC2)nc(-c2ccncc2)[n-]1 ZINC000485983537 901202141 /nfs/dbraw/zinc/20/21/41/901202141.db2.gz MUWPSWLYKXVERB-IWQZZHSRSA-N -1 3 408.255 4.084 20 0 HIADHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000486089247 901277270 /nfs/dbraw/zinc/27/72/70/901277270.db2.gz DXDFFSFRIMQMCK-ZDUSSCGKSA-N -1 3 411.804 4.460 20 0 HIADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000486426158 901585668 /nfs/dbraw/zinc/58/56/68/901585668.db2.gz OUSHUPARYQAYTL-LLVKDONJSA-N -1 3 412.353 4.385 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(OCC2CCCC2)CC1 ZINC000486644855 901771900 /nfs/dbraw/zinc/77/19/00/901771900.db2.gz IYWPKJRKKSZZOD-UHFFFAOYSA-N -1 3 411.340 4.036 20 0 HIADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 ZINC000486653373 901775614 /nfs/dbraw/zinc/77/56/14/901775614.db2.gz DTEWAQIBHUSQEF-OAHLLOKOSA-N -1 3 423.359 4.073 20 0 HIADHM CN(CCOc1cccc(Cl)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486659810 901781511 /nfs/dbraw/zinc/78/15/11/901781511.db2.gz SUNVKOOZFKTRAE-UHFFFAOYSA-N -1 3 413.699 4.029 20 0 HIADHM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000487008192 902011971 /nfs/dbraw/zinc/01/19/71/902011971.db2.gz BXPVXYLNCFUHAO-ZDUSSCGKSA-N -1 3 410.701 4.116 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1Br ZINC000487310635 902147073 /nfs/dbraw/zinc/14/70/73/902147073.db2.gz ASEDBKQOWCWWMF-UHFFFAOYSA-N -1 3 414.321 4.354 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000488659699 902923983 /nfs/dbraw/zinc/92/39/83/902923983.db2.gz QXHUWVLVEVXNSU-UHFFFAOYSA-N -1 3 406.667 4.128 20 0 HIADHM COc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccc1OC1CCCC1 ZINC000488675461 902936987 /nfs/dbraw/zinc/93/69/87/902936987.db2.gz OAILRIQTEXIOQK-UHFFFAOYSA-N -1 3 420.303 4.415 20 0 HIADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)c2c(n1)onc2C(C)C ZINC000488681298 902942376 /nfs/dbraw/zinc/94/23/76/902942376.db2.gz UHCKCILAKYGMLP-UHFFFAOYSA-N -1 3 404.264 4.053 20 0 HIADHM O=S(=O)([N-]Cc1ccccc1Br)c1ccc(F)cc1C(F)(F)F ZINC000488823464 903025145 /nfs/dbraw/zinc/02/51/45/903025145.db2.gz MSTOGULHTCRHLQ-UHFFFAOYSA-N -1 3 412.202 4.086 20 0 HIADHM O=S(=O)([N-]Cc1ccc(Oc2ccc(F)cc2)nc1)c1cc(F)ccc1Cl ZINC000488944059 903091371 /nfs/dbraw/zinc/09/13/71/903091371.db2.gz OPCIXIDDRIDADW-UHFFFAOYSA-N -1 3 410.829 4.284 20 0 HIADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000489534057 903443621 /nfs/dbraw/zinc/44/36/21/903443621.db2.gz NRECIRRRZVARFJ-UHFFFAOYSA-N -1 3 414.449 4.290 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCC[C@H]3OCc3ccccc3)cc2)cc(=O)[n-]1 ZINC000489593873 903484968 /nfs/dbraw/zinc/48/49/68/903484968.db2.gz DXTQUTUXWVUGQR-IFMALSPDSA-N -1 3 418.497 4.417 20 0 HIADHM Cc1ccc(-n2c(S[C@@H](C)c3nc(C)cc(=O)[n-]3)nnc2-c2ccccn2)cc1 ZINC000489658772 903525976 /nfs/dbraw/zinc/52/59/76/903525976.db2.gz KCBXVUSTCMTWBB-HNNXBMFYSA-N -1 3 404.499 4.295 20 0 HIADHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000490378229 903972745 /nfs/dbraw/zinc/97/27/45/903972745.db2.gz SHIAFHVBBDNYNV-XQRVVYSFSA-N -1 3 424.463 4.406 20 0 HIADHM Cc1nc(S(=O)(=O)[C@H](C)c2nc(-c3ccccc3C)no2)[n-]c1-c1ccccc1 ZINC000490423790 903999991 /nfs/dbraw/zinc/99/99/91/903999991.db2.gz RDEFCBSLQHJOIV-OAHLLOKOSA-N -1 3 408.483 4.278 20 0 HIADHM C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc([O-])ccc1Cl ZINC000490433066 904006177 /nfs/dbraw/zinc/00/61/77/904006177.db2.gz MVPCPMMRRNBVCB-DIFFPNOSSA-N -1 3 410.695 4.410 20 0 HIADHM CC[C@@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)Oc1cccc(C)c1 ZINC000490469755 904026488 /nfs/dbraw/zinc/02/64/88/904026488.db2.gz JAVFMFFVMFVRLK-IBGZPJMESA-N -1 3 406.486 4.445 20 0 HIADHM CC[C@H](C)CN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000490886537 904303113 /nfs/dbraw/zinc/30/31/13/904303113.db2.gz KBQZHBYKCYCUCN-HNNXBMFYSA-N -1 3 406.523 4.443 20 0 HIADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493937282 905289407 /nfs/dbraw/zinc/28/94/07/905289407.db2.gz OUQLNHFLLYAIHK-VIFPVBQESA-N -1 3 422.753 4.104 20 0 HIADHM Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1Br ZINC000494497641 905786138 /nfs/dbraw/zinc/78/61/38/905786138.db2.gz XSIOTYSHKORGBN-UHFFFAOYSA-N -1 3 423.101 4.460 20 0 HIADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1Cl ZINC000494662012 905888935 /nfs/dbraw/zinc/88/89/35/905888935.db2.gz BFQKUMJDECLHPI-UHFFFAOYSA-N -1 3 422.812 4.040 20 0 HIADHM O=C(NCc1ncccc1[O-])NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000494774906 905972696 /nfs/dbraw/zinc/97/26/96/905972696.db2.gz LYAJMMNBOHLKDZ-NRFANRHFSA-N -1 3 411.889 4.198 20 0 HIADHM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000495098882 906238387 /nfs/dbraw/zinc/23/83/87/906238387.db2.gz OZRSLYOXNHFXAT-LLVKDONJSA-N -1 3 410.890 4.188 20 0 HIADHM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000495098882 906238408 /nfs/dbraw/zinc/23/84/08/906238408.db2.gz OZRSLYOXNHFXAT-LLVKDONJSA-N -1 3 410.890 4.188 20 0 HIADHM CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000496516225 906700294 /nfs/dbraw/zinc/70/02/94/906700294.db2.gz LRXYENKMFGWMPI-DEOSSOPVSA-N -1 3 418.541 4.327 20 0 HIADHM COCC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000497783416 907276201 /nfs/dbraw/zinc/27/62/01/907276201.db2.gz DKBATKVTTUKZMG-INIZCTEOSA-N -1 3 401.265 4.415 20 0 HIADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1 ZINC000512786010 921310933 /nfs/dbraw/zinc/31/09/33/921310933.db2.gz SHAHXNDBOKOXCM-UHFFFAOYSA-N -1 3 418.259 4.367 20 0 HIADHM CC[C@H](OC1CCCC1)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000497915206 907385323 /nfs/dbraw/zinc/38/53/23/907385323.db2.gz RSWNTPSZGMFLQV-NRFANRHFSA-N -1 3 416.543 4.472 20 0 HIADHM CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc([O-])ccc1Cl ZINC000512818860 921322568 /nfs/dbraw/zinc/32/25/68/921322568.db2.gz ZOIFIDHFJVJQRI-UHFFFAOYSA-N -1 3 415.704 4.131 20 0 HIADHM O=c1[n-]c(SCc2nccn2Cc2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000498028941 907530046 /nfs/dbraw/zinc/53/00/46/907530046.db2.gz NGSZOMKZZDWDHS-UHFFFAOYSA-N -1 3 414.494 4.058 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)c1 ZINC000512848560 921353920 /nfs/dbraw/zinc/35/39/20/921353920.db2.gz GTIVLGJYRAHVNO-UHFFFAOYSA-N -1 3 421.497 4.491 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1Oc1ccc(C)nn1 ZINC000498505700 907977972 /nfs/dbraw/zinc/97/79/72/907977972.db2.gz ODBZVVCDXFOYLX-UHFFFAOYSA-N -1 3 413.499 4.312 20 0 HIADHM O=C(COc1ccc(-c2ccccc2)cc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000498738632 908166320 /nfs/dbraw/zinc/16/63/20/908166320.db2.gz ZNRDWHIHQRNMQS-UHFFFAOYSA-N -1 3 405.845 4.205 20 0 HIADHM O=C(COc1ccc(-c2ccccc2)cc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000498738632 908166334 /nfs/dbraw/zinc/16/63/34/908166334.db2.gz ZNRDWHIHQRNMQS-UHFFFAOYSA-N -1 3 405.845 4.205 20 0 HIADHM CCC[C@@H](C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccccn1 ZINC000498922411 908332781 /nfs/dbraw/zinc/33/27/81/908332781.db2.gz CZWAIESIWUIHQR-QGZVFWFLSA-N -1 3 415.921 4.202 20 0 HIADHM CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)ccc1C ZINC000499829795 908961494 /nfs/dbraw/zinc/96/14/94/908961494.db2.gz CJPZBNMYHIBWGV-UHFFFAOYSA-N -1 3 416.421 4.036 20 0 HIADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000499850661 908985325 /nfs/dbraw/zinc/98/53/25/908985325.db2.gz MCAFPMGCAQPUFT-LLVKDONJSA-N -1 3 401.315 4.182 20 0 HIADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-][C@H](c1nccs1)c1ccccc1 ZINC000500045894 909508463 /nfs/dbraw/zinc/50/84/63/909508463.db2.gz BETWVXAXHNEHPM-INIZCTEOSA-N -1 3 412.458 4.371 20 0 HIADHM CC(C)C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000500183128 909678028 /nfs/dbraw/zinc/67/80/28/909678028.db2.gz SWZAWWYIGZLGQQ-QGZVFWFLSA-N -1 3 404.507 4.277 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(F)(c4cccc(OC)c4)CC3)nc2)n1 ZINC000513071145 921524095 /nfs/dbraw/zinc/52/40/95/921524095.db2.gz VIMQVJHJHXNDMJ-UHFFFAOYSA-N -1 3 408.477 4.280 20 0 HIADHM Cc1cc(C)cc([C@H](C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000500946571 910200357 /nfs/dbraw/zinc/20/03/57/910200357.db2.gz QDBJQBIRRRJARS-HNNXBMFYSA-N -1 3 415.490 4.062 20 0 HIADHM CCn1c(SCc2nc3c4ccccc4oc3c(=O)[n-]2)nc2ccccc2c1=O ZINC000501074156 910276141 /nfs/dbraw/zinc/27/61/41/910276141.db2.gz MIAGPHDRNNQQNT-UHFFFAOYSA-N -1 3 404.451 4.104 20 0 HIADHM COc1cccc(C=C2CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)c1 ZINC000501274597 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943225344 /nfs/dbraw/zinc/22/53/44/943225344.db2.gz SLZWQJFXTAHLKQ-MRXNPFEDSA-N -1 3 405.502 4.010 20 0 HIADHM O=C(NCC1(c2ccccc2Br)CCC1)c1c[n-]c2ccccc2c1=O ZINC000557729543 943272642 /nfs/dbraw/zinc/27/26/42/943272642.db2.gz CFOFNWWZZXCGEM-UHFFFAOYSA-N -1 3 411.299 4.142 20 0 HIADHM CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000557828045 943305581 /nfs/dbraw/zinc/30/55/81/943305581.db2.gz OLVBPCQBTKHWBT-LJQANCHMSA-N -1 3 411.299 4.344 20 0 HIADHM COc1cc(C(=O)NC(C)(C)Cc2ccc(Br)c(C)c2)cc(OC)c1[O-] ZINC000557931041 943331653 /nfs/dbraw/zinc/33/16/53/943331653.db2.gz KTKPKMWFFXWQAA-UHFFFAOYSA-N -1 3 422.319 4.231 20 0 HIADHM CCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000559494352 943982683 /nfs/dbraw/zinc/98/26/83/943982683.db2.gz SDUBSUYJTITSAC-DYESRHJHSA-N -1 3 422.504 4.015 20 0 HIADHM Brc1cccc(-c2nc(-c3noc(-c4ccc(C5CC5)cn4)n3)n[n-]2)c1 ZINC000559989281 944114178 /nfs/dbraw/zinc/11/41/78/944114178.db2.gz QOIXIRYKWGHQTH-UHFFFAOYSA-N -1 3 409.247 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945926250 /nfs/dbraw/zinc/92/62/50/945926250.db2.gz WMIIBSRDMYPHPN-UHFFFAOYSA-N -1 3 400.784 4.165 20 0 HIADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567006312 946215094 /nfs/dbraw/zinc/21/50/94/946215094.db2.gz MGPLIKVXHYSUJW-INIZCTEOSA-N -1 3 404.253 4.150 20 0 HIADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567006313 946215431 /nfs/dbraw/zinc/21/54/31/946215431.db2.gz MGPLIKVXHYSUJW-MRXNPFEDSA-N -1 3 404.253 4.150 20 0 HIADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(C3CCC(C)(C)CC3)no2)cc1 ZINC000568813832 946712768 /nfs/dbraw/zinc/71/27/68/946712768.db2.gz FOYOPUKVRRPLNA-UHFFFAOYSA-N -1 3 407.536 4.483 20 0 HIADHM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1ccc(Br)cc1 ZINC000568911344 946746784 /nfs/dbraw/zinc/74/67/84/946746784.db2.gz MTYYQJMIJJIYHQ-UHFFFAOYSA-N -1 3 411.252 4.185 20 0 HIADHM Cc1ccc(Cc2nc(C(=O)[N-]c3nnc(C4CCOCC4)s3)cs2)cc1 ZINC000568921829 946759088 /nfs/dbraw/zinc/75/90/88/946759088.db2.gz GIUCEBGMERWYMQ-UHFFFAOYSA-N -1 3 400.529 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HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc3cccc(C)c3s2)cc1OC ZINC000572878231 948027855 /nfs/dbraw/zinc/02/78/55/948027855.db2.gz VDSDVVQCVURICM-UHFFFAOYSA-N -1 3 404.513 4.232 20 0 HIADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000574185178 948381890 /nfs/dbraw/zinc/38/18/90/948381890.db2.gz OZVXRPXCGGBRTD-ZWKOTPCHSA-N -1 3 407.436 4.203 20 0 HIADHM COc1cc(C(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)cc(OC)c1[O-] ZINC000435960346 861220216 /nfs/dbraw/zinc/22/02/16/861220216.db2.gz ARQZICDJXINYJT-INIZCTEOSA-N -1 3 420.303 4.458 20 0 HIADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(Cl)c1 ZINC000436151959 861451904 /nfs/dbraw/zinc/45/19/04/861451904.db2.gz IJGOKJFAAOLHLV-UHFFFAOYSA-N -1 3 417.270 4.016 20 0 HIADHM COC(=O)c1cc(C)nc2nc(SCc3nc(-c4ccccc4)cs3)[n-]c(=O)c12 ZINC000436207150 861508905 /nfs/dbraw/zinc/50/89/05/861508905.db2.gz RMAFPQIBQZGLNV-UHFFFAOYSA-N -1 3 424.507 4.241 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@H](C)SCc3ccccc3OC)nc(=O)c2c1C ZINC000007050070 845241603 /nfs/dbraw/zinc/24/16/03/845241603.db2.gz KUSFWLWXTXXKGB-LBPRGKRZSA-N -1 3 418.540 4.473 20 0 HIADHM O=S(=O)([N-]c1ccccc1F)c1cccc(NC(=S)NC2CCCCC2)c1 ZINC000007517221 845350939 /nfs/dbraw/zinc/35/09/39/845350939.db2.gz SHNGNZVGYOHZRB-UHFFFAOYSA-N -1 3 407.536 4.246 20 0 HIADHM Cc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000008079142 845471182 /nfs/dbraw/zinc/47/11/82/845471182.db2.gz FGVDZAIJWWZTJN-UHFFFAOYSA-N -1 3 402.422 4.326 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000008287935 845506940 /nfs/dbraw/zinc/50/69/40/845506940.db2.gz YTCCFGMGIITQIP-UHFFFAOYSA-N -1 3 414.458 4.196 20 0 HIADHM O=C(Nc1ccc2c(c1)CCC2)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000008378249 845521110 /nfs/dbraw/zinc/52/11/10/845521110.db2.gz HIVAZZIJRVRCNZ-UHFFFAOYSA-N -1 3 410.470 4.368 20 0 HIADHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c2ccccc2)cc1 ZINC000008515989 845532611 /nfs/dbraw/zinc/53/26/11/845532611.db2.gz HAXJRDGTVULZFB-HXUWFJFHSA-N -1 3 407.413 4.180 20 0 HIADHM COc1ccc(SCCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000436318179 861622786 /nfs/dbraw/zinc/62/27/86/861622786.db2.gz OOVXLOHHMBQYCW-UHFFFAOYSA-N -1 3 409.511 4.265 20 0 HIADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1 ZINC000015248104 846024064 /nfs/dbraw/zinc/02/40/64/846024064.db2.gz ADQPKHLGMRNPNP-UHFFFAOYSA-N -1 3 400.544 4.294 20 0 HIADHM Cc1cc(C)c2c(n1)sc1c2N[C@H](c2ccc([O-])c(Br)c2)NC1=O ZINC000015502663 846054861 /nfs/dbraw/zinc/05/48/61/846054861.db2.gz VKNMCCBKLRXKBX-HNNXBMFYSA-N -1 3 404.289 4.235 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(C)cc3)ccc2C)cc1 ZINC000015896938 846102086 /nfs/dbraw/zinc/10/20/86/846102086.db2.gz DGIXAUBQKCAGAM-UHFFFAOYSA-N -1 3 424.522 4.043 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1cc(F)cc(F)c1 ZINC000016305323 846151214 /nfs/dbraw/zinc/15/12/14/846151214.db2.gz RRTLVXCJKHERKK-UHFFFAOYSA-N -1 3 420.412 4.465 20 0 HIADHM CC(C)n1nnnc1S[C@H](C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000016453261 846173182 /nfs/dbraw/zinc/17/31/82/846173182.db2.gz KSCBDYRQZYPNPW-SECBINFHSA-N -1 3 404.546 4.134 20 0 HIADHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN3CCC[C@@H](C)C3)nc(=O)c12 ZINC000016446213 846173495 /nfs/dbraw/zinc/17/34/95/846173495.db2.gz MYQBDBYZRTZQKY-CQSZACIVSA-N -1 3 424.570 4.394 20 0 HIADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc2ccccc2c1 ZINC000016598834 846188174 /nfs/dbraw/zinc/18/81/74/846188174.db2.gz CZDZHEIFUIHNLD-UHFFFAOYSA-N -1 3 423.321 4.454 20 0 HIADHM O=C([N-]NC(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccc2ccccc2n1 ZINC000017408861 846252865 /nfs/dbraw/zinc/25/28/65/846252865.db2.gz LSZOZPSDKLZCJY-UHFFFAOYSA-N -1 3 408.417 4.118 20 0 HIADHM O=C(COC(=O)c1ccc([O-])cc1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000018170728 846305906 /nfs/dbraw/zinc/30/59/06/846305906.db2.gz LPUPTUPUBKGPGK-UHFFFAOYSA-N -1 3 422.506 4.118 20 0 HIADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000021200165 846416483 /nfs/dbraw/zinc/41/64/83/846416483.db2.gz QPTKZIZITSZRRY-UHFFFAOYSA-N -1 3 414.487 4.281 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3sccc3C)nc(=O)c2c1C ZINC000021793477 846495534 /nfs/dbraw/zinc/49/55/34/846495534.db2.gz GKTGMSSDIQVLCL-LBPRGKRZSA-N -1 3 405.545 4.033 20 0 HIADHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(=O)[n-]1 ZINC000021843754 846501502 /nfs/dbraw/zinc/50/15/02/846501502.db2.gz KPTLDECENHTMEC-UHFFFAOYSA-N -1 3 423.325 4.388 20 0 HIADHM COc1cccc(CN(C)C(=O)CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000022570466 846589275 /nfs/dbraw/zinc/58/92/75/846589275.db2.gz WKWSERSNAHIXDA-UHFFFAOYSA-N -1 3 418.519 4.180 20 0 HIADHM COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000022743847 846613640 /nfs/dbraw/zinc/61/36/40/846613640.db2.gz YSTFIVFDYALRFT-UHFFFAOYSA-N -1 3 414.458 4.196 20 0 HIADHM O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000023119760 846661707 /nfs/dbraw/zinc/66/17/07/846661707.db2.gz QIGRUAODGPNDGM-UHFFFAOYSA-N -1 3 419.717 4.340 20 0 HIADHM C=CCOc1cccc(C=C(Cl)c2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)c1 ZINC000023164816 846666034 /nfs/dbraw/zinc/66/60/34/846666034.db2.gz CBOXEJWXKHIDRQ-UVTDQMKNSA-N -1 3 416.886 4.381 20 0 HIADHM COc1ccc2[nH]c(SCc3nc(=O)c4c(-c5ccco5)csc4[n-]3)nc2c1 ZINC000026041364 847075843 /nfs/dbraw/zinc/07/58/43/847075843.db2.gz PMOWRCISZWJNRY-UHFFFAOYSA-N -1 3 410.480 4.422 20 0 HIADHM O=c1[n-]c(SCc2nc3ccccc3o2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000026429737 847143409 /nfs/dbraw/zinc/14/34/09/847143409.db2.gz QLBQKHMQGSMQFV-UHFFFAOYSA-N -1 3 409.858 4.196 20 0 HIADHM Cc1cccc(NC(=O)CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)c1 ZINC000028261504 847399333 /nfs/dbraw/zinc/39/93/33/847399333.db2.gz LJTBYRXFJDFSTR-UHFFFAOYSA-N -1 3 411.508 4.425 20 0 HIADHM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000028252343 847399834 /nfs/dbraw/zinc/39/98/34/847399834.db2.gz UTZRBJDFOHNXCV-UHFFFAOYSA-N -1 3 402.516 4.120 20 0 HIADHM CC(C)[C@@H](C)NC(=O)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028660770 847441848 /nfs/dbraw/zinc/44/18/48/847441848.db2.gz FSZJJJSTLKQZPW-VXGBXAGGSA-N -1 3 405.545 4.200 20 0 HIADHM CCCC[C@H](CC)CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000029431125 847563869 /nfs/dbraw/zinc/56/38/69/847563869.db2.gz AZDMOCOBFGTDEM-LBPRGKRZSA-N -1 3 421.390 4.380 20 0 HIADHM O=S(=O)([N-]Cc1csc(Br)c1)c1cccc(Cl)c1Cl ZINC000030444785 847716194 /nfs/dbraw/zinc/71/61/94/847716194.db2.gz UAMGKMBRXWRSAV-UHFFFAOYSA-N -1 3 401.134 4.296 20 0 HIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(Nc4ncccn4)c3)nc(=O)c2c1C ZINC000030836501 847781594 /nfs/dbraw/zinc/78/15/94/847781594.db2.gz IPENVPUSDXCGFD-GFCCVEGCSA-N -1 3 421.482 4.053 20 0 HIADHM Cc1nc(C)c(CC(=O)N[C@H](c2cccs2)c2ccc(CC(C)C)cc2)c(=O)[n-]1 ZINC000031219983 847846791 /nfs/dbraw/zinc/84/67/91/847846791.db2.gz ZQXWUHHJQVEHKP-QFIPXVFZSA-N -1 3 409.555 4.095 20 0 HIADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436526201 861836319 /nfs/dbraw/zinc/83/63/19/861836319.db2.gz QAUVZAORQAOUOX-WQWSHVPRSA-N -1 3 414.505 4.303 20 0 HIADHM 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ZINC000436557644 861850632 /nfs/dbraw/zinc/85/06/32/861850632.db2.gz SBSDYCRSSLRBRV-JOCHJYFZSA-N -1 3 422.456 4.240 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000436557346 861850697 /nfs/dbraw/zinc/85/06/97/861850697.db2.gz RBABXXGOEVSSHY-FSSWDIPSSA-N -1 3 424.566 4.140 20 0 HIADHM Cc1cc(F)ccc1CCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436558302 861850740 /nfs/dbraw/zinc/85/07/40/861850740.db2.gz PRNXDBVBGBOFTR-HSZRJFAPSA-N -1 3 420.484 4.060 20 0 HIADHM COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436558764 861850765 /nfs/dbraw/zinc/85/07/65/861850765.db2.gz XEKKVHHWQLRLHW-UHFFFAOYSA-N -1 3 418.493 4.140 20 0 HIADHM Cc1c(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cccc1N(C)C ZINC000436560791 861851436 /nfs/dbraw/zinc/85/14/36/861851436.db2.gz CXTBUUYSOLIEHX-QFIPXVFZSA-N -1 3 417.509 4.267 20 0 HIADHM CCOC(=O)c1ccc2c(c1)nc(-c1cc(Br)c([O-])c(OC)c1)n2CC ZINC000436559760 861851782 /nfs/dbraw/zinc/85/17/82/861851782.db2.gz 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COCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccc(OC)c(OC)c1 ZINC000436592640 861862072 /nfs/dbraw/zinc/86/20/72/861862072.db2.gz XCRRTRPWIYKJIU-UHFFFAOYSA-N -1 3 423.465 4.495 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@H](c2cccc(O)c2)C1 ZINC000436594799 861862535 /nfs/dbraw/zinc/86/25/35/861862535.db2.gz GLMLERBUWMMNFA-DEOSSOPVSA-N -1 3 403.478 4.097 20 0 HIADHM O=C(NC1CCCCCCC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000032897996 848091303 /nfs/dbraw/zinc/09/13/03/848091303.db2.gz VJTXAAAZJNXMQQ-UHFFFAOYSA-N -1 3 419.374 4.277 20 0 HIADHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2)n1 ZINC000032950944 848095433 /nfs/dbraw/zinc/09/54/33/848095433.db2.gz QUAGWGCKLXXJQJ-UHFFFAOYSA-N -1 3 402.479 4.338 20 0 HIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(N2CCCC2)nn1 ZINC000436603738 861865665 /nfs/dbraw/zinc/86/56/65/861865665.db2.gz IBMYBCJTFDAKAJ-UHFFFAOYSA-N -1 3 417.494 4.311 20 0 HIADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCC2CCCC2)c(Cl)cc1Cl ZINC000033054366 848103503 /nfs/dbraw/zinc/10/35/03/848103503.db2.gz JCAXSKHUZMDUEE-LBPRGKRZSA-N -1 3 421.390 4.380 20 0 HIADHM O=C(N[C@H]1CCOC2(CCSCC2)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436604041 861866604 /nfs/dbraw/zinc/86/66/04/861866604.db2.gz NRFVNRMNICTCAI-FQEVSTJZSA-N -1 3 411.567 4.352 20 0 HIADHM O=C(NC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1)c1ccsc1 ZINC000436605273 861866672 /nfs/dbraw/zinc/86/66/72/861866672.db2.gz FWAUFZAKQFOPDR-UHFFFAOYSA-N -1 3 420.534 4.079 20 0 HIADHM CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436605255 861866768 /nfs/dbraw/zinc/86/67/68/861866768.db2.gz KZXBJIOSGHUGFH-QGZVFWFLSA-N -1 3 409.511 4.254 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCC[C@H](C)C3)ccc2C)cc1 ZINC000033181616 848120995 /nfs/dbraw/zinc/12/09/95/848120995.db2.gz SHQABXVILAEGRE-HNAYVOBHSA-N -1 3 416.543 4.113 20 0 HIADHM CCCCCS(=O)(=O)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436610884 861869330 /nfs/dbraw/zinc/86/93/30/861869330.db2.gz XVRBZAKPBAKFAX-UHFFFAOYSA-N -1 3 418.540 4.212 20 0 HIADHM COc1ccc(/C=C\C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000033728465 848139259 /nfs/dbraw/zinc/13/92/59/848139259.db2.gz OQYRMZRNQFZYSV-APSNUPSMSA-N -1 3 422.506 4.456 20 0 HIADHM CCCc1c(NC(=O)c2cccc(OC)c2[O-])cnn1-c1cc(F)c(OC)cc1F ZINC000436612991 861870255 /nfs/dbraw/zinc/87/02/55/861870255.db2.gz ZKOWDCUGMKIRDT-UHFFFAOYSA-N -1 3 417.412 4.078 20 0 HIADHM CCC(CC)C(=O)N1CCC(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436617529 861871990 /nfs/dbraw/zinc/87/19/90/861871990.db2.gz NYHVFUJWFXLALE-UHFFFAOYSA-N -1 3 422.569 4.334 20 0 HIADHM Cc1ncc(-c2ccccc2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436621325 861872973 /nfs/dbraw/zinc/87/29/73/861872973.db2.gz DFBQIMBIDWDDMN-NRFANRHFSA-N -1 3 401.466 4.006 20 0 HIADHM Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436623688 861873447 /nfs/dbraw/zinc/87/34/47/861873447.db2.gz IUTXRSPBWOCJTJ-UHFFFAOYSA-N -1 3 419.319 4.297 20 0 HIADHM Cc1sc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])nc1-c1ccc(C)cc1 ZINC000436623557 861873452 /nfs/dbraw/zinc/87/34/52/861873452.db2.gz IKBGDIWKIADILW-SFHVURJKSA-N -1 3 421.522 4.376 20 0 HIADHM O=C(Nc1ccc(CCC(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436622493 861873678 /nfs/dbraw/zinc/87/36/78/861873678.db2.gz DIHRKUISFTVBGL-KRWDZBQOSA-N -1 3 406.404 4.130 20 0 HIADHM C[C@H]1Cc2ccccc2N1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436626280 861874268 /nfs/dbraw/zinc/87/42/68/861874268.db2.gz QZWXMQTVKBKPFB-HTAPYJJXSA-N -1 3 400.478 4.231 20 0 HIADHM O=C(CC1CCCCC1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436623885 861874406 /nfs/dbraw/zinc/87/44/06/861874406.db2.gz HTOXXAWNMXWCMR-UHFFFAOYSA-N -1 3 420.553 4.238 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc(F)c(F)cc1F ZINC000436630111 861875000 /nfs/dbraw/zinc/87/50/00/861875000.db2.gz LWBXVGVGUISFRH-LJQANCHMSA-N -1 3 414.383 4.309 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc2c(cn1)CCCC2 ZINC000436653271 861882709 /nfs/dbraw/zinc/88/27/09/861882709.db2.gz AWDNGRRWNHQBPE-QFIPXVFZSA-N -1 3 415.493 4.166 20 0 HIADHM CC[C@H](C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1)N(C)C ZINC000436661919 861886548 /nfs/dbraw/zinc/88/65/48/861886548.db2.gz XOGMQESVLRMPKR-MRXNPFEDSA-N -1 3 410.301 4.230 20 0 HIADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2COCc2ccccc2)c([O-])c1 ZINC000436664510 861887197 /nfs/dbraw/zinc/88/71/97/861887197.db2.gz LTEXTPADQYQGHP-UHFFFAOYSA-N -1 3 418.493 4.176 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)c1 ZINC000436665708 861887646 /nfs/dbraw/zinc/88/76/46/861887646.db2.gz SJBASKSULBZZBJ-OAHLLOKOSA-N -1 3 411.502 4.373 20 0 HIADHM CCCCCNC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000042184702 848297255 /nfs/dbraw/zinc/29/72/55/848297255.db2.gz MGYDOSJQIQUDKX-LBPRGKRZSA-N -1 3 405.545 4.345 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c1 ZINC000436668219 861888541 /nfs/dbraw/zinc/88/85/41/861888541.db2.gz ATMABPNHFQEGOD-DNVCBOLYSA-N -1 3 419.481 4.207 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1 ZINC000436671657 861890134 /nfs/dbraw/zinc/89/01/34/861890134.db2.gz LGKCKZOCYQLUNF-NRFANRHFSA-N -1 3 405.454 4.130 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 ZINC000436673370 861890178 /nfs/dbraw/zinc/89/01/78/861890178.db2.gz JLDDGGQCDWFKDQ-FQEVSTJZSA-N -1 3 407.470 4.458 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1(C(F)(F)F)CCC1 ZINC000436687075 861894548 /nfs/dbraw/zinc/89/45/48/861894548.db2.gz QFFRKIUWRGOHRJ-SFHVURJKSA-N -1 3 420.431 4.102 20 0 HIADHM C[C@@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccccc1 ZINC000042846413 848358491 /nfs/dbraw/zinc/35/84/91/848358491.db2.gz GSCQCXPLQGAIFO-CQSZACIVSA-N -1 3 401.894 4.167 20 0 HIADHM CSc1ccc(-c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)c(Cl)c1 ZINC000436690687 861894819 /nfs/dbraw/zinc/89/48/19/861894819.db2.gz QMGZHCBUNHCNOG-UHFFFAOYSA-N -1 3 403.891 4.098 20 0 HIADHM CC(=O)c1cccc(OCc2cc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)no2)c1 ZINC000436697514 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Cc1ccc(-c2nnc([N-]C(=O)c3nc(N4CCCC4)ncc3Cl)s2)c(C)c1 ZINC000065085648 852058524 /nfs/dbraw/zinc/05/85/24/852058524.db2.gz MOYPRYVZNJWOGL-UHFFFAOYSA-N -1 3 414.922 4.118 20 0 HIADHM Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000065620651 852202211 /nfs/dbraw/zinc/20/22/11/852202211.db2.gz JBOXPZQSHARPRH-UHFFFAOYSA-N -1 3 412.914 4.364 20 0 HIADHM C[C@@H](Nc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1)c1ccccc1 ZINC000065819003 852267401 /nfs/dbraw/zinc/26/74/01/852267401.db2.gz QKEHYWBQGRWGKO-CQSZACIVSA-N -1 3 400.438 4.387 20 0 HIADHM CCCCOc1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000065818587 852267902 /nfs/dbraw/zinc/26/79/02/852267902.db2.gz ZGFVZPYJTNIVIW-UHFFFAOYSA-N -1 3 420.531 4.033 20 0 HIADHM CCc1cc2c(CSc3nnc(-c4ccncc4)n3CC)cc(=O)oc2cc1[O-] ZINC000069287918 852391261 /nfs/dbraw/zinc/39/12/61/852391261.db2.gz RARGMQDLNYNFKZ-UHFFFAOYSA-N -1 3 408.483 4.027 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2coc3c2ccc(C)c3C)cc1OC ZINC000072005577 852461022 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0 HIADHM C[C@H]1CCCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000195667293 853747609 /nfs/dbraw/zinc/74/76/09/853747609.db2.gz LUPZGOIMPQCOMF-RDJZCZTQSA-N -1 3 404.507 4.183 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3csc(C4CC4)n3)cc2)cc1 ZINC000195749622 853792763 /nfs/dbraw/zinc/79/27/63/853792763.db2.gz VFSKWEMVWWYWLX-UHFFFAOYSA-N -1 3 413.524 4.382 20 0 HIADHM CC(C)[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2ccncc2)no1 ZINC000207233949 853802306 /nfs/dbraw/zinc/80/23/06/853802306.db2.gz VXCDHCFPSFYIAM-QJWNTBNXSA-N -1 3 418.906 4.072 20 0 HIADHM [O-]c1ccc(Br)cc1C=Nc1cc2c(cc1Br)OCCO2 ZINC000254466793 854211848 /nfs/dbraw/zinc/21/18/48/854211848.db2.gz GWSRNBUEDKRLBB-UHFFFAOYSA-N -1 3 413.065 4.439 20 0 HIADHM O=C(c1nnc2ccccc2c1[O-])N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000261442333 854264025 /nfs/dbraw/zinc/26/40/25/854264025.db2.gz MPQDSVVHOHQVFH-LJQANCHMSA-N -1 3 417.444 4.232 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(CC)CC3CC3)c2)cc1 ZINC000261449198 854266862 /nfs/dbraw/zinc/26/68/62/854266862.db2.gz IGLKAEBEOUTTEG-UHFFFAOYSA-N -1 3 416.543 4.067 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(CC)CC)ccc2C)cc1 ZINC000301324183 854358745 /nfs/dbraw/zinc/35/87/45/854358745.db2.gz GXOPEFVFBBMQAC-UHFFFAOYSA-N -1 3 404.532 4.113 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3ccc(OC)cc3OC)nc2)n1 ZINC000301556104 854420164 /nfs/dbraw/zinc/42/01/64/854420164.db2.gz WPWKGYSMUSYPQI-LJQANCHMSA-N -1 3 406.486 4.165 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)c1Cl ZINC000437309140 862570512 /nfs/dbraw/zinc/57/05/12/862570512.db2.gz VUWNDKYXGMNLJJ-UHFFFAOYSA-N -1 3 419.277 4.298 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(F)(F)F)nn3)cc2)cc1 ZINC000301941521 854500220 /nfs/dbraw/zinc/50/02/20/854500220.db2.gz UVBAHVCYKJAMHO-UHFFFAOYSA-N -1 3 409.389 4.397 20 0 HIADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC[C@@H]1C1CCC1 ZINC000303212113 854819243 /nfs/dbraw/zinc/81/92/43/854819243.db2.gz RLKFWQPVGWPSQZ-HXUWFJFHSA-N -1 3 402.491 4.031 20 0 HIADHM O=C([N-]c1nc(-c2ccccc2)cs1)c1sccc1S(=O)(=O)C(F)F ZINC000303252361 854836379 /nfs/dbraw/zinc/83/63/79/854836379.db2.gz CLAVZYWBVKXZCY-UHFFFAOYSA-N -1 3 400.453 4.120 20 0 HIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000303472565 854969117 /nfs/dbraw/zinc/96/91/17/854969117.db2.gz QYTLUKNYJUGOCK-UHFFFAOYSA-N -1 3 418.421 4.381 20 0 HIADHM Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2)c1 ZINC000303768861 855186739 /nfs/dbraw/zinc/18/67/39/855186739.db2.gz GRKGNTIEWGNGNM-QHCPKHFHSA-N -1 3 414.505 4.289 20 0 HIADHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1cccc(Cl)c1F ZINC000312914844 855374225 /nfs/dbraw/zinc/37/42/25/855374225.db2.gz BBUHCQSDWFECMW-UHFFFAOYSA-N -1 3 400.056 4.091 20 0 HIADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Br)sc2C)c1 ZINC000317170555 855380898 /nfs/dbraw/zinc/38/08/98/855380898.db2.gz WGBWCXOMYNNWMK-UHFFFAOYSA-N -1 3 424.725 4.060 20 0 HIADHM CCOc1c(Br)cc(CN[C@@H](CC(=O)[O-])c2cccs2)cc1OC ZINC000324826274 855400713 /nfs/dbraw/zinc/40/07/13/855400713.db2.gz BBYLMQPRNRZHIR-ZDUSSCGKSA-N -1 3 414.321 4.224 20 0 HIADHM Cc1nc(-c2ccccn2)sc1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000410046579 855797393 /nfs/dbraw/zinc/79/73/93/855797393.db2.gz LQOOFYXDSRJEGY-UHFFFAOYSA-N -1 3 411.487 4.347 20 0 HIADHM CCCn1nccc1C1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000410058005 855804096 /nfs/dbraw/zinc/80/40/96/855804096.db2.gz OLYXJWMFSLDCNX-UHFFFAOYSA-N -1 3 420.517 4.176 20 0 HIADHM COc1cccc(Cc2nnc([N-]C(=O)c3ccc(-c4ccccc4F)o3)s2)c1 ZINC000410297774 855913533 /nfs/dbraw/zinc/91/35/33/855913533.db2.gz DDBLQDWPAABMSG-UHFFFAOYSA-N -1 3 409.442 4.789 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nnc(C(C)(C)c4ccccc4)s3)c[n-]c12 ZINC000425945774 856013571 /nfs/dbraw/zinc/01/35/71/856013571.db2.gz MBVVWOKMVMCIGV-UHFFFAOYSA-N -1 3 422.485 4.405 20 0 HIADHM COc1cc(F)c(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)cc1OC ZINC000426284252 856220957 /nfs/dbraw/zinc/22/09/57/856220957.db2.gz VPEHYHIBXHZBEB-UHFFFAOYSA-N -1 3 407.854 4.191 20 0 HIADHM O=C([O-])C[C@@H](CNCc1cn(-c2ccc(F)cc2Cl)nn1)c1ccc(Cl)cc1 ZINC000426676571 856407346 /nfs/dbraw/zinc/40/73/46/856407346.db2.gz DOGXTKHWPVQPBC-ZDUSSCGKSA-N -1 3 423.275 4.061 20 0 HIADHM CCCOc1c(Br)cc(CNCc2ccccc2CC(=O)[O-])cc1OC ZINC000426712120 856428356 /nfs/dbraw/zinc/42/83/56/856428356.db2.gz USSUEBXPSJHBBD-UHFFFAOYSA-N -1 3 422.319 4.163 20 0 HIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc(Br)cc2OC)cc1 ZINC000426731280 856440322 /nfs/dbraw/zinc/44/03/22/856440322.db2.gz OKWOUJGNSRMSFP-QGZVFWFLSA-N -1 3 408.292 4.162 20 0 HIADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)ccc1OCc1ccc(F)cc1 ZINC000426762665 856463647 /nfs/dbraw/zinc/46/36/47/856463647.db2.gz MGDOBXYZIKGRKE-QFIPXVFZSA-N -1 3 413.420 4.468 20 0 HIADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(Br)cc2SC)c1 ZINC000426767872 856466016 /nfs/dbraw/zinc/46/60/16/856466016.db2.gz RKZSQEPNIXRQFM-INIZCTEOSA-N -1 3 410.333 4.485 20 0 HIADHM CCCOc1c(Br)cc(CN[C@@H](C(=O)[O-])c2cccs2)cc1OC ZINC000426798751 856484568 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HIADHM COc1ccc([C@H](NCc2ccc(OCc3csc(C)n3)cc2)C(=O)[O-])cc1F ZINC000426827808 856501735 /nfs/dbraw/zinc/50/17/35/856501735.db2.gz XEHCQRYFCFJWKF-FQEVSTJZSA-N -1 3 416.474 4.094 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000427085805 856627412 /nfs/dbraw/zinc/62/74/12/856627412.db2.gz AQAKLUOUWGBEIA-NRFANRHFSA-N -1 3 419.485 4.402 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000427085805 856627419 /nfs/dbraw/zinc/62/74/19/856627419.db2.gz AQAKLUOUWGBEIA-NRFANRHFSA-N -1 3 419.485 4.402 20 0 HIADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@@H]3C[C@@H](C(C)C)c4ccccc43)CC2)n[n-]1 ZINC000427422539 856813775 /nfs/dbraw/zinc/81/37/75/856813775.db2.gz WKYRDFDTQJPFLB-PXNSSMCTSA-N -1 3 424.545 4.005 20 0 HIADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@@H]3C[C@@H](C(C)C)c4ccccc43)CC2)[n-]1 ZINC000427422539 856813776 /nfs/dbraw/zinc/81/37/76/856813776.db2.gz WKYRDFDTQJPFLB-PXNSSMCTSA-N -1 3 424.545 4.005 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCC3CC3)ccc2C)cc1 ZINC000437511262 862860250 /nfs/dbraw/zinc/86/02/50/862860250.db2.gz AZAWPTAGVQPWPD-UHFFFAOYSA-N -1 3 416.543 4.067 20 0 HIADHM Cc1ccc(-c2nnc(-c3ccc(C(=O)NCc4ccc([O-])c(F)c4)cc3)o2)cc1 ZINC000427945242 857018513 /nfs/dbraw/zinc/01/85/13/857018513.db2.gz GHWHGXGVELZEFH-UHFFFAOYSA-N -1 3 403.413 4.487 20 0 HIADHM FC(F)(F)c1n[n-]c(CNc2ccnc3c(Cl)cc(Br)cc23)n1 ZINC000428199523 857107679 /nfs/dbraw/zinc/10/76/79/857107679.db2.gz NYKIHOLPRCGSRX-UHFFFAOYSA-N -1 3 406.593 4.400 20 0 HIADHM CCCc1ccc(C(=O)CCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000428866435 857378765 /nfs/dbraw/zinc/37/87/65/857378765.db2.gz ZBNPAIIPLPAEAH-UHFFFAOYSA-N -1 3 404.304 4.387 20 0 HIADHM Cc1csc(CCCC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n1 ZINC000429834049 857901387 /nfs/dbraw/zinc/90/13/87/857901387.db2.gz RTVZYVAPZLLCJT-UHFFFAOYSA-N -1 3 423.785 4.169 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)c3ccc4c(c3)OCO4)c2)n1 ZINC000429835710 857902846 /nfs/dbraw/zinc/90/28/46/857902846.db2.gz ZLMMWIDZEISHIC-UHFFFAOYSA-N -1 3 405.454 4.057 20 0 HIADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(Br)c(F)cc1F ZINC000430259836 858099482 /nfs/dbraw/zinc/09/94/82/858099482.db2.gz FUDOJFGOEUMFDA-UHFFFAOYSA-N -1 3 407.008 4.448 20 0 HIADHM CN(CCc1ccccc1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430436224 858162025 /nfs/dbraw/zinc/16/20/25/858162025.db2.gz IARMQQADXOZIHP-UHFFFAOYSA-N -1 3 419.706 4.259 20 0 HIADHM CN(C)c1cccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)n1 ZINC000430562767 858219244 /nfs/dbraw/zinc/21/92/44/858219244.db2.gz GGPUVUACAHVFSB-UHFFFAOYSA-N -1 3 400.438 4.034 20 0 HIADHM CC(C)N(CC(F)F)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430572165 858223037 /nfs/dbraw/zinc/22/30/37/858223037.db2.gz JJHUVUALENNKJA-UHFFFAOYSA-N -1 3 407.642 4.060 20 0 HIADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N(CC1CC1)CC1CC1 ZINC000430644179 858245791 /nfs/dbraw/zinc/24/57/91/858245791.db2.gz APZSCMAYGWSFNN-UHFFFAOYSA-N -1 3 409.711 4.206 20 0 HIADHM C[S@](=O)c1cccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)c1 ZINC000430649172 858248614 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CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCC[C@@H]2CCC(C)C)cc1OC ZINC000471599081 886311803 /nfs/dbraw/zinc/31/18/03/886311803.db2.gz NUDRHRGKQQFEND-QGZVFWFLSA-N -1 3 411.568 4.279 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)CC3(C)C)c2)cc1 ZINC000471724895 886438606 /nfs/dbraw/zinc/43/86/06/886438606.db2.gz HFIRAJRYUUGROZ-OAHLLOKOSA-N -1 3 416.543 4.065 20 0 HIADHM Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)cc1F ZINC000471759770 886490788 /nfs/dbraw/zinc/49/07/88/886490788.db2.gz XWJAYEDBBHIUDZ-UHFFFAOYSA-N -1 3 420.484 4.162 20 0 HIADHM CCc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1-c1ccccc1C ZINC000471779838 886512932 /nfs/dbraw/zinc/51/29/32/886512932.db2.gz KUYIRNGUSSXPLS-UHFFFAOYSA-N -1 3 413.481 4.054 20 0 HIADHM CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471861270 886635272 /nfs/dbraw/zinc/63/52/72/886635272.db2.gz NINNJLINDRGOIF-UHFFFAOYSA-N -1 3 412.511 4.016 20 0 HIADHM CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)c2ccccc2O1 ZINC000471955497 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ZINC000480642548 896010228 /nfs/dbraw/zinc/01/02/28/896010228.db2.gz FTAFXAGDFSMQBI-UHFFFAOYSA-N -1 3 423.420 4.305 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(n4c(C)nc5ccccc54)CC3)nc2)n1 ZINC000480835315 896207962 /nfs/dbraw/zinc/20/79/62/896207962.db2.gz AQGZHIXJUSVEFB-UHFFFAOYSA-N -1 3 414.513 4.306 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000480858522 896225121 /nfs/dbraw/zinc/22/51/21/896225121.db2.gz SLCBYEZUJJPTOY-OAHLLOKOSA-N -1 3 407.923 4.008 20 0 HIADHM COc1ccccc1OC[C@@H](C)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000481200299 896552909 /nfs/dbraw/zinc/55/29/09/896552909.db2.gz OFMLJUBGCUJIDR-HNNXBMFYSA-N -1 3 422.485 4.003 20 0 HIADHM Cc1nc2sccn2c(=O)c1CCSc1nnc([N-]c2ccccc2F)s1 ZINC000505427529 914092082 /nfs/dbraw/zinc/09/20/82/914092082.db2.gz MRARWHFCANOCLQ-UHFFFAOYSA-N -1 3 419.532 4.133 20 0 HIADHM COc1cc(OC)c(NC(=O)NCc2ccc([O-])c(Br)c2)cc1Cl ZINC000481470545 896859670 /nfs/dbraw/zinc/85/96/70/896859670.db2.gz BTZBUNXRGUUUBP-UHFFFAOYSA-N 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ZINC000482593716 898194109 /nfs/dbraw/zinc/19/41/09/898194109.db2.gz BSEOFUMBBZGUBC-YGRLFVJLSA-N -1 3 413.674 4.303 20 0 HIADHM COc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)c(OC)cc1Cl ZINC000482681611 898281638 /nfs/dbraw/zinc/28/16/38/898281638.db2.gz HWZYIFFAOHICCE-UHFFFAOYSA-N -1 3 415.671 4.147 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(Br)c1 ZINC000482762904 898369108 /nfs/dbraw/zinc/36/91/08/898369108.db2.gz ZCKWPEQSCDOMON-UHFFFAOYSA-N -1 3 400.070 4.239 20 0 HIADHM Cc1cc(C)n(-c2ccccc2NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000483051897 898725400 /nfs/dbraw/zinc/72/54/00/898725400.db2.gz RYSRDTQFTPCXNG-UHFFFAOYSA-N -1 3 415.291 4.279 20 0 HIADHM C[C@@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483540953 899202372 /nfs/dbraw/zinc/20/23/72/899202372.db2.gz IPQAIUWSUHXHHQ-RNCFNFMXSA-N -1 3 421.345 4.135 20 0 HIADHM C[C@H](c1ccc2ccccc2c1)N(C(=O)NCc1nc(C(F)(F)F)n[n-]1)C1CC1 ZINC000483558295 899216622 /nfs/dbraw/zinc/21/66/22/899216622.db2.gz IBFFDFUPUMHOPY-GFCCVEGCSA-N -1 3 403.408 4.412 20 0 HIADHM CCC[C@H](NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)C1CCCCC1 ZINC000484439426 899945391 /nfs/dbraw/zinc/94/53/91/899945391.db2.gz AFFKRDDYFHINFK-FQEVSTJZSA-N -1 3 424.545 4.215 20 0 HIADHM CCSc1cccc(Br)c1[N-]C(=O)c1cn(Cc2ccccc2)nn1 ZINC000484891838 900275714 /nfs/dbraw/zinc/27/57/14/900275714.db2.gz IKYFRPHOFNGDDI-UHFFFAOYSA-N -1 3 417.332 4.453 20 0 HIADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000484996818 900350458 /nfs/dbraw/zinc/35/04/58/900350458.db2.gz ZPAHAJSURXJAER-UHFFFAOYSA-N -1 3 402.516 4.187 20 0 HIADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cc(N2CCCC2=O)ccc1Cl ZINC000485091429 900402919 /nfs/dbraw/zinc/40/29/19/900402919.db2.gz JLZYWINZQJVWBK-UHFFFAOYSA-N -1 3 421.844 4.250 20 0 HIADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cc(N2CCCC2=O)ccc1Cl ZINC000485091429 900402928 /nfs/dbraw/zinc/40/29/28/900402928.db2.gz JLZYWINZQJVWBK-UHFFFAOYSA-N -1 3 421.844 4.250 20 0 HIADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc(COC2CCOCC2)c1 ZINC000485107140 900414145 /nfs/dbraw/zinc/41/41/45/900414145.db2.gz KQWGWSJSLNSRNK-UHFFFAOYSA-N -1 3 418.453 4.166 20 0 HIADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc(COC2CCOCC2)c1 ZINC000485107140 900414151 /nfs/dbraw/zinc/41/41/51/900414151.db2.gz KQWGWSJSLNSRNK-UHFFFAOYSA-N -1 3 418.453 4.166 20 0 HIADHM O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485110528 900418049 /nfs/dbraw/zinc/41/80/49/900418049.db2.gz SOXLZINWOMHULV-UHFFFAOYSA-N -1 3 416.359 4.340 20 0 HIADHM COc1ccc(COCCCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485112474 900418077 /nfs/dbraw/zinc/41/80/77/900418077.db2.gz HUBVWERGKGIMLM-UHFFFAOYSA-N -1 3 406.442 4.162 20 0 HIADHM CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485114068 900419236 /nfs/dbraw/zinc/41/92/36/900419236.db2.gz PPHMNBGMVLVWMZ-UHFFFAOYSA-N -1 3 417.469 4.085 20 0 HIADHM CN(C)C(=O)Nc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(Cl)c1 ZINC000485115553 900421191 /nfs/dbraw/zinc/42/11/91/900421191.db2.gz YBPUHRRAULXTTE-UHFFFAOYSA-N -1 3 424.848 4.217 20 0 HIADHM CN(C)C(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(Cl)c1 ZINC000485115553 900421196 /nfs/dbraw/zinc/42/11/96/900421196.db2.gz YBPUHRRAULXTTE-UHFFFAOYSA-N -1 3 424.848 4.217 20 0 HIADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485115624 900421306 /nfs/dbraw/zinc/42/13/06/900421306.db2.gz YMKOHCRKMMSLDR-UHFFFAOYSA-N -1 3 405.439 4.424 20 0 HIADHM Cc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c2c(n1)onc2C(C)C ZINC000485144624 900444357 /nfs/dbraw/zinc/44/43/57/900444357.db2.gz UHOXLBMTJSBCJT-UHFFFAOYSA-N -1 3 402.414 4.438 20 0 HIADHM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000485412269 900711421 /nfs/dbraw/zinc/71/14/21/900711421.db2.gz XBVHGXSLONHWKW-UHFFFAOYSA-N -1 3 403.504 4.493 20 0 HIADHM CCCCc1nc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)c(C(=O)OCC)[n-]1 ZINC000485710867 900959753 /nfs/dbraw/zinc/95/97/53/900959753.db2.gz OENCBASCUYRVGU-UHFFFAOYSA-N -1 3 423.473 4.109 20 0 HIADHM CSc1cccc([C@@H]([N-]S(=O)(=O)Cc2cc(C)no2)c2cc(F)ccc2F)c1 ZINC000485908605 901137757 /nfs/dbraw/zinc/13/77/57/901137757.db2.gz UCJPAHKFIPTYLK-LJQANCHMSA-N -1 3 424.494 4.192 20 0 HIADHM O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCc1ccc([O-])c(Br)c1 ZINC000486111561 901297268 /nfs/dbraw/zinc/29/72/68/901297268.db2.gz RKPQQDQYBMNIGQ-UHFFFAOYSA-N -1 3 422.710 4.331 20 0 HIADHM COc1cc(C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc(OC)c1[O-] ZINC000486238349 901420507 /nfs/dbraw/zinc/42/05/07/901420507.db2.gz WGAGQSXVMUHJIU-LJQANCHMSA-N -1 3 405.450 4.330 20 0 HIADHM COc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486426297 901585845 /nfs/dbraw/zinc/58/58/45/901585845.db2.gz UIMUPWBHPRNPGE-MRXNPFEDSA-N -1 3 405.292 4.210 20 0 HIADHM COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000486427780 901587341 /nfs/dbraw/zinc/58/73/41/901587341.db2.gz IZRFDAVOCBMHQA-KRWDZBQOSA-N -1 3 405.292 4.210 20 0 HIADHM CN(CCOc1ccccc1Cl)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486623217 901759170 /nfs/dbraw/zinc/75/91/70/901759170.db2.gz CDHXFFKLLXBIIN-UHFFFAOYSA-N -1 3 413.699 4.029 20 0 HIADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486629099 901763596 /nfs/dbraw/zinc/76/35/96/901763596.db2.gz LZLJPWZTEHCUMZ-WFASDCNBSA-N -1 3 407.283 4.381 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)C2)cc1Cl ZINC000486694291 901798738 /nfs/dbraw/zinc/79/87/38/901798738.db2.gz MARJDTHCAADYRI-HZPDHXFCSA-N -1 3 424.925 4.442 20 0 HIADHM Cc1cccc(CN(CC(C)C)C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000486771043 901843224 /nfs/dbraw/zinc/84/32/24/901843224.db2.gz KGMLJEVSTYEQKC-UHFFFAOYSA-N -1 3 418.541 4.066 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)C3(CC)CC3)c2)cc1 ZINC000486822312 901875261 /nfs/dbraw/zinc/87/52/61/901875261.db2.gz JVBDCXNJQUNDFM-UHFFFAOYSA-N -1 3 418.515 4.023 20 0 HIADHM CSc1nc(NC(=O)c2ccc(Oc3cccc(Br)c3)cc2)n[n-]1 ZINC000486825298 901877756 /nfs/dbraw/zinc/87/77/56/901877756.db2.gz PCEPZTVRLXBSMU-UHFFFAOYSA-N -1 3 405.277 4.334 20 0 HIADHM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000487008184 902011084 /nfs/dbraw/zinc/01/10/84/902011084.db2.gz BXPVXYLNCFUHAO-CYBMUJFWSA-N -1 3 410.701 4.116 20 0 HIADHM Cc1nc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)sc1Cc1ccc(F)cc1F ZINC000487620982 902253781 /nfs/dbraw/zinc/25/37/81/902253781.db2.gz SBAFCKGWNSQMQS-UHFFFAOYSA-N -1 3 418.469 4.004 20 0 HIADHM O=S(=O)([N-][C@@H]1CCCOc2ccc(F)cc21)c1ccc(F)cc1C(F)(F)F ZINC000488699636 902950411 /nfs/dbraw/zinc/95/04/11/902950411.db2.gz UGYQFBTXIFMJAN-CQSZACIVSA-N -1 3 407.360 4.176 20 0 HIADHM O=S(=O)([N-]CCCCOc1ccc(F)cc1)c1ccc(F)cc1C(F)(F)F ZINC000488824225 903025670 /nfs/dbraw/zinc/02/56/70/903025670.db2.gz OPMGHSNLEAAJMG-UHFFFAOYSA-N -1 3 409.376 4.121 20 0 HIADHM COc1cc(C(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc(OC)c1[O-] ZINC000488889744 903059955 /nfs/dbraw/zinc/05/99/55/903059955.db2.gz YWQWNIJVBAKFHW-NSHDSACASA-N -1 3 416.474 4.471 20 0 HIADHM Cn1c(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)nnc1-c1ccccn1 ZINC000488906264 903071380 /nfs/dbraw/zinc/07/13/80/903071380.db2.gz GKWOXBAWRRFPRM-UHFFFAOYSA-N -1 3 422.495 4.140 20 0 HIADHM Cc1sc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)nc1C(C)C ZINC000489245429 903285242 /nfs/dbraw/zinc/28/52/42/903285242.db2.gz AGNZZMZBSLYJKL-UHFFFAOYSA-N -1 3 412.430 4.091 20 0 HIADHM CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000489447267 903388508 /nfs/dbraw/zinc/38/85/08/903388508.db2.gz PWELAIUWTHHALN-GFCCVEGCSA-N -1 3 405.911 4.188 20 0 HIADHM CCN(Cc1ccccn1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000490061438 903751610 /nfs/dbraw/zinc/75/16/10/903751610.db2.gz SHWOJQIJFDEKIV-UHFFFAOYSA-N -1 3 423.538 4.162 20 0 HIADHM Cc1nc(S(=O)(=O)CC(=O)Nc2ccccc2C(C)(C)C)[n-]c1-c1ccccc1 ZINC000490450189 904018255 /nfs/dbraw/zinc/01/82/55/904018255.db2.gz AFAPUIFHBPECRF-UHFFFAOYSA-N -1 3 411.527 4.095 20 0 HIADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2ccccc2C(C)(C)C)nc1-c1ccccc1 ZINC000490450189 904018269 /nfs/dbraw/zinc/01/82/69/904018269.db2.gz AFAPUIFHBPECRF-UHFFFAOYSA-N -1 3 411.527 4.095 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(c3ccccc3)CCCC2)cc1Cl ZINC000506261660 914870045 /nfs/dbraw/zinc/87/00/45/914870045.db2.gz ADKZIRVDCMWSRW-UHFFFAOYSA-N -1 3 410.898 4.185 20 0 HIADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)c1c(C)noc1C ZINC000493898585 905253969 /nfs/dbraw/zinc/25/39/69/905253969.db2.gz XJXPNLOEKKFVNW-LLVKDONJSA-N -1 3 407.717 4.137 20 0 HIADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)cc1C ZINC000512569784 921242378 /nfs/dbraw/zinc/24/23/78/921242378.db2.gz VOHZCLIBRACJRM-UHFFFAOYSA-N -1 3 416.524 4.427 20 0 HIADHM Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c(C)c1 ZINC000495918695 906579238 /nfs/dbraw/zinc/57/92/38/906579238.db2.gz YCKYTCQGYHCXOU-UHFFFAOYSA-N -1 3 412.486 4.173 20 0 HIADHM Cc1nc([C@H]2CCCO2)sc1C(=O)[N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1 ZINC000496072433 906606269 /nfs/dbraw/zinc/60/62/69/906606269.db2.gz NHNQCIPZHBRZRZ-GFCCVEGCSA-N -1 3 423.420 4.359 20 0 HIADHM C/C=C/c1ccc(NC(=O)NCc2cccc(-c3nnc(C(=O)OCC)[n-]3)c2)cc1 ZINC000497371280 906859629 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O=C(Nc1ccc(Br)cc1[O-])c1cc(Br)cc2nc[nH]c21 ZINC000548872568 941127426 /nfs/dbraw/zinc/12/74/26/941127426.db2.gz PYQJERMJGGLTGM-UHFFFAOYSA-N -1 3 411.053 4.046 20 0 HIADHM COc1cccc(CN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)c1OCc1ccccc1F ZINC000548934570 941130574 /nfs/dbraw/zinc/13/05/74/941130574.db2.gz KBQTVCBJYBIIOF-MRXNPFEDSA-N -1 3 411.477 4.410 20 0 HIADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000550790164 941366942 /nfs/dbraw/zinc/36/69/42/941366942.db2.gz GETSWZYOBHFHJN-XMMPIXPASA-N -1 3 411.854 4.038 20 0 HIADHM C[C@H](Oc1ccccc1)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551072263 941404755 /nfs/dbraw/zinc/40/47/55/941404755.db2.gz LSQDDDGASYLZLZ-NSHDSACASA-N -1 3 412.247 4.424 20 0 HIADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(F)cc1C ZINC000551388942 941467464 /nfs/dbraw/zinc/46/74/64/941467464.db2.gz DNTBZXWICIDLGT-UHFFFAOYSA-N -1 3 419.396 4.216 20 0 HIADHM COc1ccc(-c2n[nH]cc2CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000551420961 941475382 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ZINC000555566659 942647076 /nfs/dbraw/zinc/64/70/76/942647076.db2.gz RPGVQKVIVMVPKL-NBGIEHNGSA-N -1 3 404.462 4.116 20 0 HIADHM Cc1ccc2nc(C(=O)Nc3cc(C(F)(F)F)ccc3[N-]S(C)(=O)=O)ccc2c1 ZINC000555889632 942767900 /nfs/dbraw/zinc/76/79/00/942767900.db2.gz HJMSWYHIPVDVRG-UHFFFAOYSA-N -1 3 423.416 4.186 20 0 HIADHM COC(=O)c1ccc(C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)[n-]1 ZINC000556313223 942838647 /nfs/dbraw/zinc/83/86/47/942838647.db2.gz AYPDZBWIOZSPRM-UHFFFAOYSA-N -1 3 406.417 4.055 20 0 HIADHM O=C([O-])CC[C@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC000556323436 942841093 /nfs/dbraw/zinc/84/10/93/942841093.db2.gz NAVLIIRJNJBHNG-AWEZNQCLSA-N -1 3 410.223 4.448 20 0 HIADHM C[C@@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3cc([O-])c4ccccc4c3)c2)C1=O ZINC000557156525 943033847 /nfs/dbraw/zinc/03/38/47/943033847.db2.gz HZSWJYSLMWVHNH-DEOSSOPVSA-N -1 3 415.449 4.023 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)c[n-]c12 ZINC000557442892 943129950 /nfs/dbraw/zinc/12/99/50/943129950.db2.gz OKOOGBYGHFAIPR-UHFFFAOYSA-N -1 3 407.367 4.313 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc4nc[nH]c4cc3F)cc2)cc1 ZINC000557463068 943143529 /nfs/dbraw/zinc/14/35/29/943143529.db2.gz IDVJNRMTHNLBLA-UHFFFAOYSA-N -1 3 424.457 4.064 20 0 HIADHM COc1cc(C(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc(OC)c1[O-] ZINC000557502280 943172015 /nfs/dbraw/zinc/17/20/15/943172015.db2.gz NAPNNPFBJPJXNA-KRWDZBQOSA-N -1 3 411.376 4.189 20 0 HIADHM C[C@@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000557821849 943304254 /nfs/dbraw/zinc/30/42/54/943304254.db2.gz ZNRFKAPWAGEUOX-ZDUSSCGKSA-N -1 3 414.905 4.122 20 0 HIADHM C[C@@H](OC1CCCCCC1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000558726893 943633221 /nfs/dbraw/zinc/63/32/21/943633221.db2.gz SPCGXUIMEXWPFQ-OAHLLOKOSA-N -1 3 422.953 4.351 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c(C)ccc(Br)c3C)cc2)n1 ZINC000559445693 943957581 /nfs/dbraw/zinc/95/75/81/943957581.db2.gz OVRPQMJUDIBIMF-UHFFFAOYSA-N -1 3 412.287 4.377 20 0 HIADHM Brc1cccc(-c2nc(-c3noc(-c4csc(C5CC5)n4)n3)n[n-]2)c1 ZINC000559988836 944113811 /nfs/dbraw/zinc/11/38/11/944113811.db2.gz FPMFHBVHKZDRKH-UHFFFAOYSA-N -1 3 415.276 4.285 20 0 HIADHM COCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)c1ccc(C)o1 ZINC000560036723 944135166 /nfs/dbraw/zinc/13/51/66/944135166.db2.gz WRQGNQYIEYSTLI-LBPRGKRZSA-N -1 3 422.728 4.060 20 0 HIADHM CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(I)c2)c1[O-] ZINC000560550772 944251412 /nfs/dbraw/zinc/25/14/12/944251412.db2.gz NOPXQZCXKTWDSY-UHFFFAOYSA-N -1 3 415.614 4.105 20 0 HIADHM O=S(=O)([N-]C1(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1C(F)(F)F ZINC000561501728 944640647 /nfs/dbraw/zinc/64/06/47/944640647.db2.gz OUWVOAABFQNJPX-UHFFFAOYSA-N -1 3 411.232 4.375 20 0 HIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1OCC ZINC000561706569 944755365 /nfs/dbraw/zinc/75/53/65/944755365.db2.gz KVVYUWDQNDOVIP-UHFFFAOYSA-N -1 3 414.483 4.472 20 0 HIADHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000561770870 944789556 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407.436 4.203 20 0 HIADHM O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1cccc2n[n-]nc21 ZINC000574266821 948402531 /nfs/dbraw/zinc/40/25/31/948402531.db2.gz SAKMPBFMBQRLLG-UHFFFAOYSA-N -1 3 401.213 4.099 20 0 HIADHM COC(=O)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc2ccccc21 ZINC000574309348 948408692 /nfs/dbraw/zinc/40/86/92/948408692.db2.gz XVUHLPYCFQDIDT-OAQYLSRUSA-N -1 3 409.457 4.428 20 0 HIADHM O=S(=O)([N-]CC1(c2ccc(C(F)(F)F)cc2)CC1)c1cccnc1C(F)(F)F ZINC000574474979 948452328 /nfs/dbraw/zinc/45/23/28/948452328.db2.gz XIUVXTMWVPAHCJ-UHFFFAOYSA-N -1 3 424.366 4.129 20 0 HIADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000574550803 948468815 /nfs/dbraw/zinc/46/88/15/948468815.db2.gz CWRPFTVXVGPXGG-UHFFFAOYSA-N -1 3 421.277 4.209 20 0 HIADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164795264 721506592 /nfs/dbraw/zinc/50/65/92/721506592.db2.gz IZOCNESXSKCPGC-YVEFUNNKSA-N -1 3 412.893 4.044 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c(Br)c1 ZINC000436007272 861295655 /nfs/dbraw/zinc/29/56/55/861295655.db2.gz MOSPJQXPHYAYAK-UHFFFAOYSA-N -1 3 404.289 4.015 20 0 HIADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cn[nH]c1-c1ccsc1 ZINC000436091957 861372479 /nfs/dbraw/zinc/37/24/79/861372479.db2.gz KKXPSYWQXYXKMS-UHFFFAOYSA-N -1 3 424.507 4.191 20 0 HIADHM CCn1cc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)c(C(F)(F)F)n1 ZINC000436196082 861496812 /nfs/dbraw/zinc/49/68/12/861496812.db2.gz GJCBQEUQVXSQKA-UHFFFAOYSA-N -1 3 415.828 4.270 20 0 HIADHM O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000005704833 845138060 /nfs/dbraw/zinc/13/80/60/845138060.db2.gz ITBDJPBQFUJKHV-UHFFFAOYSA-N -1 3 406.385 4.157 20 0 HIADHM COc1ccc(NC(=O)c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000006449099 845200947 /nfs/dbraw/zinc/20/09/47/845200947.db2.gz NXYCZOINRZDMQX-UHFFFAOYSA-N -1 3 416.886 4.402 20 0 HIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(C(F)(F)F)cc3N)nc(=O)c2c1C ZINC000006972143 845227378 /nfs/dbraw/zinc/22/73/78/845227378.db2.gz 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C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NCc1ccccc1F ZINC000023210313 846670361 /nfs/dbraw/zinc/67/03/61/846670361.db2.gz YIIWRMSIRZMMNT-LLVKDONJSA-N -1 3 406.483 4.357 20 0 HIADHM CCCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000024302825 846810392 /nfs/dbraw/zinc/81/03/92/846810392.db2.gz KOUPHYSOHLYHBQ-GJZGRUSLSA-N -1 3 402.564 4.021 20 0 HIADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)CCCCCC2)no1 ZINC000024689139 846854011 /nfs/dbraw/zinc/85/40/11/846854011.db2.gz YTGWMQVTSONAFZ-UHFFFAOYSA-N -1 3 404.319 4.213 20 0 HIADHM CC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024883679 846882400 /nfs/dbraw/zinc/88/24/00/846882400.db2.gz UHEQPFJGLYRROR-UHFFFAOYSA-N -1 3 404.532 4.153 20 0 HIADHM O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)OCC(=O)[N-]C(=O)c1cccs1 ZINC000025641768 847012592 /nfs/dbraw/zinc/01/25/92/847012592.db2.gz ZWNOPQBOEKEAJG-CSKARUKUSA-N -1 3 415.467 4.129 20 0 HIADHM Cc1sc2ncn([N-]C(=O)c3cc4c5ccccc5n(C)c4s3)c(=O)c2c1C ZINC000025712539 847024939 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HIADHM Cc1noc2nc(-c3ccccc3)cc(C(=O)[N-]c3nnc(C(F)(F)F)s3)c12 ZINC000029284365 847538472 /nfs/dbraw/zinc/53/84/72/847538472.db2.gz IZDFPGQOCQRKLG-UHFFFAOYSA-N -1 3 405.361 4.321 20 0 HIADHM CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC000029346090 847549019 /nfs/dbraw/zinc/54/90/19/847549019.db2.gz NTMIHJPADDKLLN-UHFFFAOYSA-N -1 3 409.511 4.145 20 0 HIADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000029997898 847667790 /nfs/dbraw/zinc/66/77/90/847667790.db2.gz QYKLINNLYFHVJD-WBVHZDCISA-N -1 3 404.507 4.277 20 0 HIADHM CCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000030011911 847670062 /nfs/dbraw/zinc/67/00/62/847670062.db2.gz NMLNVZUCGHYYKQ-UHFFFAOYSA-N -1 3 414.458 4.278 20 0 HIADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC3CCCCCC3)c2)c1 ZINC000030016873 847671652 /nfs/dbraw/zinc/67/16/52/847671652.db2.gz RVWRLYVFNIXBFZ-UHFFFAOYSA-N -1 3 412.486 4.114 20 0 HIADHM CC(=O)NCc1ccc(-c2nc(NC(=O)c3cc(C)ccc3[O-])sc2C)s1 ZINC000030157721 847684688 /nfs/dbraw/zinc/68/46/88/847684688.db2.gz UQNNIQZRKMEXKH-UHFFFAOYSA-N -1 3 401.513 4.082 20 0 HIADHM Cc1cccc(Oc2ccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)cc2)c1 ZINC000436483279 861819952 /nfs/dbraw/zinc/81/99/52/861819952.db2.gz BVTIWCIUQQJFML-UHFFFAOYSA-N -1 3 405.454 4.044 20 0 HIADHM O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436484643 861821002 /nfs/dbraw/zinc/82/10/02/861821002.db2.gz NGQWLHQAHSQHRD-UHFFFAOYSA-N -1 3 417.465 4.174 20 0 HIADHM O=S(=O)([N-]Cc1ccnc(OC2CCCC2)c1)c1c(Cl)cccc1Cl ZINC000030421565 847713817 /nfs/dbraw/zinc/71/38/17/847713817.db2.gz RUZNBPDRGITSSZ-UHFFFAOYSA-N -1 3 401.315 4.188 20 0 HIADHM CCC(CC)[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436490858 861821653 /nfs/dbraw/zinc/82/16/53/861821653.db2.gz ZCKXQGOXFVHDEJ-QFIPXVFZSA-N -1 3 409.530 4.037 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC2(C1)CCCCC2 ZINC000436533078 861839240 /nfs/dbraw/zinc/83/92/40/861839240.db2.gz ZGDXWRLINDXCDM-QFIPXVFZSA-N -1 3 406.526 4.436 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@H]1Cc1ccccc1 ZINC000436524813 861834769 /nfs/dbraw/zinc/83/47/69/861834769.db2.gz BSRVILBZZGBZHT-UPVQGACJSA-N -1 3 414.505 4.097 20 0 HIADHM Cc1ccc(C[C@@H](C)NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436524344 861835115 /nfs/dbraw/zinc/83/51/15/861835115.db2.gz GUAIWTWEOXUAJL-OPAMFIHVSA-N -1 3 422.550 4.371 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@@H]1Cc1ccccc1 ZINC000436524811 861835380 /nfs/dbraw/zinc/83/53/80/861835380.db2.gz BSRVILBZZGBZHT-ISKFKSNPSA-N -1 3 414.505 4.097 20 0 HIADHM C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)C1 ZINC000436530282 861836993 /nfs/dbraw/zinc/83/69/93/861836993.db2.gz UIELOENYSMESIU-SFHVURJKSA-N -1 3 422.525 4.295 20 0 HIADHM Cc1c(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cnn1CC(C)C ZINC000436532028 861838394 /nfs/dbraw/zinc/83/83/94/861838394.db2.gz FXJCICLQSSGVDH-OAQYLSRUSA-N -1 3 420.513 4.053 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)C(C)(C)C)ccc2C)cc1 ZINC000031407494 847878254 /nfs/dbraw/zinc/87/82/54/847878254.db2.gz KWWOVYJNWPBPMA-MRXNPFEDSA-N -1 3 418.559 4.311 20 0 HIADHM Cc1ccc(-c2csc3[n-]c(Cn4cc(C(F)(F)F)ccc4=O)nc(=O)c23)s1 ZINC000031625388 847919938 /nfs/dbraw/zinc/91/99/38/847919938.db2.gz BSNUWHCXVMCXDH-UHFFFAOYSA-N -1 3 423.441 4.250 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000436547995 861845939 /nfs/dbraw/zinc/84/59/39/861845939.db2.gz ZDHCTULCKZICDW-JOCHJYFZSA-N -1 3 402.494 4.199 20 0 HIADHM Cc1ccc(-c2csc3[n-]c(Cn4cccc(C(F)(F)F)c4=O)nc(=O)c23)s1 ZINC000031814275 847954978 /nfs/dbraw/zinc/95/49/78/847954978.db2.gz PMGDSQWHILGAGB-UHFFFAOYSA-N -1 3 423.441 4.250 20 0 HIADHM COc1ccc(F)c(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436555030 861849494 /nfs/dbraw/zinc/84/94/94/861849494.db2.gz HZSJWRGCVBIEKW-HXUWFJFHSA-N -1 3 408.429 4.040 20 0 HIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2cccs2)ccc1F ZINC000031895947 847962917 /nfs/dbraw/zinc/96/29/17/847962917.db2.gz LYWUPSAJPZAARR-UHFFFAOYSA-N -1 3 418.515 4.493 20 0 HIADHM C[C@H](c1cccnc1)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436554685 861849811 /nfs/dbraw/zinc/84/98/11/861849811.db2.gz LEGAVFXSKBJMDF-GOSISDBHSA-N -1 3 403.482 4.099 20 0 HIADHM CC(C)n1cnnc1C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436555356 861849876 /nfs/dbraw/zinc/84/98/76/861849876.db2.gz MRESXCHUJTZMBW-UHFFFAOYSA-N -1 3 404.514 4.175 20 0 HIADHM CCCCn1ncc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1C ZINC000436559352 861851250 /nfs/dbraw/zinc/85/12/50/861851250.db2.gz UZYQYTUROYJQTR-NRFANRHFSA-N -1 3 420.513 4.197 20 0 HIADHM O=S(=O)([N-]Cc1ccc(COCc2ccccc2)cc1)c1ccc(F)cc1F ZINC000032441731 848026175 /nfs/dbraw/zinc/02/61/75/848026175.db2.gz MSXFXICEBUDGNW-UHFFFAOYSA-N -1 3 403.450 4.160 20 0 HIADHM CC(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1[O-] ZINC000436574152 861857012 /nfs/dbraw/zinc/85/70/12/861857012.db2.gz FLXGNLSKXAOOFB-NRFANRHFSA-N -1 3 420.534 4.186 20 0 HIADHM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436576095 861857699 /nfs/dbraw/zinc/85/76/99/861857699.db2.gz KKNKMOASTBYBJA-UHFFFAOYSA-N -1 3 418.493 4.336 20 0 HIADHM COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436577705 861857756 /nfs/dbraw/zinc/85/77/56/861857756.db2.gz UYMMJAKCJAWCBB-UHFFFAOYSA-N -1 3 418.493 4.140 20 0 HIADHM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436577424 861857978 /nfs/dbraw/zinc/85/79/78/861857978.db2.gz UHUGFMVWMMWLGK-INIZCTEOSA-N -1 3 414.468 4.169 20 0 HIADHM O=C(CC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1)N1CCCC1 ZINC000436578521 861858639 /nfs/dbraw/zinc/85/86/39/861858639.db2.gz RGHJCSSLJHREBE-UHFFFAOYSA-N -1 3 420.553 4.042 20 0 HIADHM O=C(Nc1ccccc1)C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436583739 861859291 /nfs/dbraw/zinc/85/92/91/861859291.db2.gz KVSZBWYQYPCABC-UHFFFAOYSA-N -1 3 414.505 4.474 20 0 HIADHM O=C(Nc1ccccc1O[C@@H]1CCOC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436582739 861859332 /nfs/dbraw/zinc/85/93/32/861859332.db2.gz JDSYTKAQHLAOBN-LJQANCHMSA-N -1 3 405.450 4.391 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000436587729 861860412 /nfs/dbraw/zinc/86/04/12/861860412.db2.gz QNCLAMAGTQMMNN-JOCHJYFZSA-N -1 3 409.526 4.173 20 0 HIADHM O=C(NCCc1nnc(-c2ccccc2)o1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436585378 861860655 /nfs/dbraw/zinc/86/06/55/861860655.db2.gz LWUJQADPKORBKY-UHFFFAOYSA-N -1 3 413.477 4.200 20 0 HIADHM O=C(C[C@H]1COCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436588777 861861308 /nfs/dbraw/zinc/86/13/08/861861308.db2.gz UWCDULQGTPGSDX-QFIPXVFZSA-N -1 3 415.489 4.097 20 0 HIADHM C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436603850 861865832 /nfs/dbraw/zinc/86/58/32/861865832.db2.gz IMABFUFRTXAYDC-AWEZNQCLSA-N -1 3 417.490 4.426 20 0 HIADHM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436609167 861868594 /nfs/dbraw/zinc/86/85/94/861868594.db2.gz VPNUEGJKPMIISD-UHFFFAOYSA-N -1 3 417.431 4.202 20 0 HIADHM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436610288 861869633 /nfs/dbraw/zinc/86/96/33/861869633.db2.gz UGBQCBRWOQHVFB-SFHVURJKSA-N -1 3 422.481 4.067 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(C(=O)N2CCCCC2)CC1 ZINC000436613672 861870178 /nfs/dbraw/zinc/87/01/78/861870178.db2.gz WUGCUHVGZZALAR-UHFFFAOYSA-N -1 3 420.553 4.042 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(C(=O)C2CCCCC2)CC1 ZINC000436616891 861870802 /nfs/dbraw/zinc/87/08/02/861870802.db2.gz IVWJRBPPUWPDBV-UHFFFAOYSA-N -1 3 420.553 4.042 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2c1cc(F)cc2F ZINC000436620400 861872503 /nfs/dbraw/zinc/87/25/03/861872503.db2.gz ABTVQYUMGAJGER-NRFANRHFSA-N -1 3 422.431 4.121 20 0 HIADHM O=C(NCCCc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436621978 861873553 /nfs/dbraw/zinc/87/35/53/861873553.db2.gz CFHZFVPZYWTBFT-SFHVURJKSA-N -1 3 421.324 4.053 20 0 HIADHM CCOc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436622414 861873789 /nfs/dbraw/zinc/87/37/89/861873789.db2.gz GIJDTIHVOIFWDP-OAQYLSRUSA-N -1 3 404.466 4.291 20 0 HIADHM C[C@H]1Cc2ccccc2N1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436626282 861874308 /nfs/dbraw/zinc/87/43/08/861874308.db2.gz QZWXMQTVKBKPFB-JTSKRJEESA-N -1 3 400.478 4.231 20 0 HIADHM Cc1cc([C@H](C)NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c(C)o1 ZINC000436632428 861875743 /nfs/dbraw/zinc/87/57/43/861875743.db2.gz ADLZWIJPDCZDEE-ZDUSSCGKSA-N -1 3 413.499 4.039 20 0 HIADHM O=C([N-]NC(=S)Nc1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000039603216 848194729 /nfs/dbraw/zinc/19/47/29/848194729.db2.gz QPNYGLGVSQHMBF-UHFFFAOYSA-N -1 3 419.131 4.387 20 0 HIADHM CCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C1CCCCC1 ZINC000436636367 861877515 /nfs/dbraw/zinc/87/75/15/861877515.db2.gz QJPQTHSOLLUPGS-UHFFFAOYSA-N -1 3 401.532 4.133 20 0 HIADHM O=C(Nc1ccc(Br)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436637674 861877939 /nfs/dbraw/zinc/87/79/39/861877939.db2.gz XZXJCIZNBIXKFQ-OAHLLOKOSA-N -1 3 423.694 4.051 20 0 HIADHM CCN(Cc1ccccc1)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436640646 861879370 /nfs/dbraw/zinc/87/93/70/861879370.db2.gz YOQBANLEIMINQI-UHFFFAOYSA-N -1 3 409.511 4.001 20 0 HIADHM CC(C)Cc1ccc([C@@H](C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436648495 861881268 /nfs/dbraw/zinc/88/12/68/861881268.db2.gz MFTZBJCCKKNDRT-GOSISDBHSA-N -1 3 408.542 4.115 20 0 HIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(c2noc(C3CC3)n2)CC1 ZINC000436653787 861882600 /nfs/dbraw/zinc/88/26/00/861882600.db2.gz BJBOBVIZARIPGG-UHFFFAOYSA-N -1 3 405.454 4.465 20 0 HIADHM O=C(c1cc2sc3ccccc3c2s1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436658994 861885203 /nfs/dbraw/zinc/88/52/03/861885203.db2.gz XPXFAJWDGOWOER-UHFFFAOYSA-N -1 3 422.531 4.420 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)c1 ZINC000436672694 861889715 /nfs/dbraw/zinc/88/97/15/861889715.db2.gz ZNKITDSAAFYJDZ-YEJXKQKISA-N -1 3 423.444 4.303 20 0 HIADHM O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436688703 861894205 /nfs/dbraw/zinc/89/42/05/861894205.db2.gz VDKFDQDSDJJUDY-JOCHJYFZSA-N -1 3 416.477 4.215 20 0 HIADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1cccc(Cl)c1 ZINC000436675073 861891038 /nfs/dbraw/zinc/89/10/38/861891038.db2.gz XTBGLBKCWLDGBD-GOSISDBHSA-N -1 3 413.861 4.475 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)c1 ZINC000436704180 861897687 /nfs/dbraw/zinc/89/76/87/861897687.db2.gz LCCYAZVPEBSXON-XOBRGWDASA-N -1 3 405.454 4.164 20 0 HIADHM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1Oc1cccnc1 ZINC000436711584 861900431 /nfs/dbraw/zinc/90/04/31/861900431.db2.gz AGINBDNDPQFMEH-FQEVSTJZSA-N -1 3 417.465 4.131 20 0 HIADHM COc1c(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc(Cl)cc1C(N)=O ZINC000436731119 861916111 /nfs/dbraw/zinc/91/61/11/861916111.db2.gz NSNDIUVRMBHXRL-UHFFFAOYSA-N -1 3 412.829 4.198 20 0 HIADHM CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436731941 861916199 /nfs/dbraw/zinc/91/61/99/861916199.db2.gz OEFLPYDKLRRNEH-UHFFFAOYSA-N -1 3 418.493 4.092 20 0 HIADHM CCOc1ccc2ccccc2c1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000044891692 848612753 /nfs/dbraw/zinc/61/27/53/848612753.db2.gz YCRPEHQQTRVYQP-UHFFFAOYSA-N -1 3 404.466 4.091 20 0 HIADHM CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436751017 861934414 /nfs/dbraw/zinc/93/44/14/861934414.db2.gz ZCIUWTBDDJHLFA-QFIPXVFZSA-N -1 3 402.494 4.199 20 0 HIADHM O=C(Nc1ccc2c(c1)NC(=O)CS2)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436754927 861941285 /nfs/dbraw/zinc/94/12/85/861941285.db2.gz JCJCOMZUYVKWEG-UHFFFAOYSA-N -1 3 406.463 4.268 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Oc4ccccc4)nc3)c2)n1 ZINC000046067383 848781138 /nfs/dbraw/zinc/78/11/38/848781138.db2.gz YKLSOXSUGNCOFH-UHFFFAOYSA-N -1 3 412.449 4.439 20 0 HIADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436764641 861953656 /nfs/dbraw/zinc/95/36/56/861953656.db2.gz MVYBHNXXWBYUTD-URXFXBBRSA-N -1 3 419.525 4.215 20 0 HIADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1C ZINC000046623743 848890275 /nfs/dbraw/zinc/89/02/75/848890275.db2.gz ZTJWQEPXUDCMOR-UHFFFAOYSA-N -1 3 421.849 4.076 20 0 HIADHM CCc1c(C)sc2[n-]c(CS(=O)(=O)c3cc(Cl)ccc3Cl)nc(=O)c12 ZINC000046702836 848914245 /nfs/dbraw/zinc/91/42/45/848914245.db2.gz NOVKDTBEORDSDN-UHFFFAOYSA-N -1 3 417.339 4.136 20 0 HIADHM O=C(Nc1ccc(OC2CCCCC2)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436767634 861959504 /nfs/dbraw/zinc/95/95/04/861959504.db2.gz GTGMTVSCXOBIKG-UHFFFAOYSA-N -1 3 423.513 4.094 20 0 HIADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436773275 861967524 /nfs/dbraw/zinc/96/75/24/861967524.db2.gz QTAKZJCGMQKLTE-JOCHJYFZSA-N -1 3 424.541 4.094 20 0 HIADHM CCOc1ccccc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000047338716 849028782 /nfs/dbraw/zinc/02/87/82/849028782.db2.gz HBOWBJWFLDEFQE-UHFFFAOYSA-N -1 3 417.893 4.327 20 0 HIADHM COc1cc(CNC(=O)c2ccc(C(C)C)cc2[O-])ccc1OCc1cccnc1 ZINC000436782507 861972557 /nfs/dbraw/zinc/97/25/57/861972557.db2.gz IRDCQXINLKJRRE-UHFFFAOYSA-N -1 3 406.482 4.428 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c1 ZINC000436790051 861981686 /nfs/dbraw/zinc/98/16/86/861981686.db2.gz MXHCLKGMJXWGGI-KRWDZBQOSA-N -1 3 420.513 4.301 20 0 HIADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000436789619 861981748 /nfs/dbraw/zinc/98/17/48/861981748.db2.gz LKTCBBNGWKMDIR-LEWJYISDSA-N -1 3 402.535 4.331 20 0 HIADHM CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000436790849 861984970 /nfs/dbraw/zinc/98/49/70/861984970.db2.gz PSMQVJXAXBHXKS-QHCPKHFHSA-N -1 3 403.482 4.306 20 0 HIADHM CCN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000436796330 861988911 /nfs/dbraw/zinc/98/89/11/861988911.db2.gz WHRKWSPSHFZNSN-IRLDBZIGSA-N -1 3 424.541 4.060 20 0 HIADHM Cc1cccc(-c2cnc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])s2)c1 ZINC000436792535 861987370 /nfs/dbraw/zinc/98/73/70/861987370.db2.gz XDYDILCJLYXXAG-KRWDZBQOSA-N -1 3 407.495 4.067 20 0 HIADHM C[C@H](c1nccs1)N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436803361 861993638 /nfs/dbraw/zinc/99/36/38/861993638.db2.gz JRPMYOPPLJZOBV-GOSISDBHSA-N -1 3 421.566 4.153 20 0 HIADHM CCc1ccc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c([O-])c1 ZINC000436803113 861994215 /nfs/dbraw/zinc/99/42/15/861994215.db2.gz MPEJTGJEZCBDGX-AWEZNQCLSA-N -1 3 418.419 4.036 20 0 HIADHM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2Br)c1 ZINC000048653139 849252330 /nfs/dbraw/zinc/25/23/30/849252330.db2.gz KWLSNCMTKPNUCL-UHFFFAOYSA-N -1 3 423.101 4.460 20 0 HIADHM CC(C)[C@@H](CCc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436808946 861996679 /nfs/dbraw/zinc/99/66/79/861996679.db2.gz MZEKNDWIROXJNV-OAQYLSRUSA-N -1 3 408.542 4.018 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nc(-c4cccs4)oc3C)c2)n1 ZINC000049301537 849301439 /nfs/dbraw/zinc/30/14/39/849301439.db2.gz AVZRTBXTLANKAX-UHFFFAOYSA-N -1 3 406.467 4.277 20 0 HIADHM C/C=C/c1ccc(OCC(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c(OC)c1 ZINC000049301782 849301703 /nfs/dbraw/zinc/30/17/03/849301703.db2.gz XQWGCXPPSLLJFN-QPJJXVBHSA-N -1 3 419.481 4.059 20 0 HIADHM Cc1c(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cccc1N1CCNC1=O ZINC000436818460 862002879 /nfs/dbraw/zinc/00/28/79/862002879.db2.gz AZLAGBVRJLMZCV-UHFFFAOYSA-N -1 3 401.466 4.073 20 0 HIADHM C[C@@H](CCCC(F)(F)F)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436819290 862003893 /nfs/dbraw/zinc/00/38/93/862003893.db2.gz DFQNCESTELGTMX-HNAYVOBHSA-N -1 3 422.447 4.491 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)C1(Sc2ccccc2)CCCC1 ZINC000436824015 862006048 /nfs/dbraw/zinc/00/60/48/862006048.db2.gz YFUBEWXSIOZOPA-UHFFFAOYSA-N -1 3 424.566 4.218 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)c1 ZINC000436824847 862006121 /nfs/dbraw/zinc/00/61/21/862006121.db2.gz DOZBHFZYZGLPSO-QAPCUYQASA-N -1 3 419.481 4.268 20 0 HIADHM Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[N-]C(=O)c1ccccc1F ZINC000049949710 849335369 /nfs/dbraw/zinc/33/53/69/849335369.db2.gz SHCJMBONRWEIGG-UHFFFAOYSA-N -1 3 413.452 4.353 20 0 HIADHM Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)c(F)c2)cc1 ZINC000436826497 862007896 /nfs/dbraw/zinc/00/78/96/862007896.db2.gz AFLJVYATGQXFEH-UHFFFAOYSA-N -1 3 418.468 4.105 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCOc3ccccc3Cl)c2)n1 ZINC000050331833 849372340 /nfs/dbraw/zinc/37/23/40/849372340.db2.gz QFJQTSXJBVYTKE-UHFFFAOYSA-N -1 3 411.889 4.450 20 0 HIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000050558336 849394348 /nfs/dbraw/zinc/39/43/48/849394348.db2.gz MVVPSLNYZGGUHE-UHFFFAOYSA-N -1 3 407.904 4.087 20 0 HIADHM Cc1ccc([C@H](C)N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000052512363 849589845 /nfs/dbraw/zinc/58/98/45/849589845.db2.gz WQSUWLOVUJNRSM-HNNXBMFYSA-N -1 3 415.490 4.096 20 0 HIADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1 ZINC000436873594 862050610 /nfs/dbraw/zinc/05/06/10/862050610.db2.gz NNQQWPYDGDKJOC-UHFFFAOYSA-N -1 3 418.518 4.142 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=S)NC(C)(C)C)c2)c(C)c1 ZINC000054922390 849942416 /nfs/dbraw/zinc/94/24/16/849942416.db2.gz HTPJWOWWPVVQMT-UHFFFAOYSA-N -1 3 405.589 4.498 20 0 HIADHM Cc1ccc(CN(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436900046 862075545 /nfs/dbraw/zinc/07/55/45/862075545.db2.gz AYDSPOFPPNFDGK-QHCPKHFHSA-N -1 3 402.494 4.220 20 0 HIADHM CCCCOc1ccc([C@@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC ZINC000055287015 849996017 /nfs/dbraw/zinc/99/60/17/849996017.db2.gz HYIQLSULGCNUOX-CQSZACIVSA-N -1 3 400.475 4.029 20 0 HIADHM CN(Cc1cc(F)cc(F)c1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436904285 862079883 /nfs/dbraw/zinc/07/98/83/862079883.db2.gz WJIIVPWDAYQMIY-QFIPXVFZSA-N -1 3 424.447 4.190 20 0 HIADHM C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c2ccccc21 ZINC000436905941 862082371 /nfs/dbraw/zinc/08/23/71/862082371.db2.gz BPYUDPOHNSMJLP-VGSWGCGISA-N -1 3 400.478 4.404 20 0 HIADHM 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ZINC000436988481 862165291 /nfs/dbraw/zinc/16/52/91/862165291.db2.gz KCWMKAXSMARFEQ-NIKGAXFTSA-N -1 3 420.431 4.053 20 0 HIADHM C[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)N(C)CC(F)(F)F ZINC000436982192 862159628 /nfs/dbraw/zinc/15/96/28/862159628.db2.gz TXDHMRXXUQRNTE-NSHDSACASA-N -1 3 409.433 4.490 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cc3cccc(F)c3o2)c1 ZINC000436984812 862162024 /nfs/dbraw/zinc/16/20/24/862162024.db2.gz NLVFAYZANUZPFO-NSHDSACASA-N -1 3 423.400 4.317 20 0 HIADHM CCCCOc1ccc(C(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)c([O-])c1 ZINC000436983568 862162537 /nfs/dbraw/zinc/16/25/37/862162537.db2.gz CSHXWZPGMGIMEJ-CQSZACIVSA-N -1 3 411.458 4.121 20 0 HIADHM CSCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000058059500 850758943 /nfs/dbraw/zinc/75/89/43/850758943.db2.gz FSYCVKSHEQNEON-UHFFFAOYSA-N -1 3 405.328 4.096 20 0 HIADHM CC(C)Sc1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436999994 862174746 /nfs/dbraw/zinc/17/47/46/862174746.db2.gz 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851387875 /nfs/dbraw/zinc/38/78/75/851387875.db2.gz NJSNAJKNGAGFAL-UHFFFAOYSA-N -1 3 424.485 4.424 20 0 HIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(Cl)c(Cl)c3N)nc(=O)c2c1C ZINC000061722991 851425652 /nfs/dbraw/zinc/42/56/52/851425652.db2.gz DWNYQLGKFTWCQV-SSDOTTSWSA-N -1 3 412.298 4.408 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1NS(C)(=O)=O ZINC000064373928 851881791 /nfs/dbraw/zinc/88/17/91/851881791.db2.gz YGTLQXXJZCPNOL-UHFFFAOYSA-N -1 3 422.572 4.215 20 0 HIADHM COc1cccc(CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@@H]2CCCO2)c1 ZINC000064400378 851889294 /nfs/dbraw/zinc/88/92/94/851889294.db2.gz DXDQTWBXKJGELJ-SFHVURJKSA-N -1 3 419.481 4.271 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1OC ZINC000065079744 852057606 /nfs/dbraw/zinc/05/76/06/852057606.db2.gz HZBDYDGNEHSTKI-UHFFFAOYSA-N -1 3 400.456 4.000 20 0 HIADHM CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CCS1 ZINC000437130849 862320403 /nfs/dbraw/zinc/32/04/03/862320403.db2.gz KAZYFZMELKKKQK-SFHVURJKSA-N -1 3 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415.541 4.086 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000301313028 854355370 /nfs/dbraw/zinc/35/53/70/854355370.db2.gz BCNMFXCRJVIDSC-UHFFFAOYSA-N -1 3 416.543 4.211 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)cc1 ZINC000301313557 854356362 /nfs/dbraw/zinc/35/63/62/854356362.db2.gz FFSBSUKZFJRGSD-UHFFFAOYSA-N -1 3 424.522 4.430 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccccc3-n3nc(C)cc3C)nc2)n1 ZINC000301650694 854437165 /nfs/dbraw/zinc/43/71/65/854437165.db2.gz JPNSFBOPPLAIGP-UHFFFAOYSA-N -1 3 400.486 4.221 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)nc2)n1 ZINC000301789871 854465682 /nfs/dbraw/zinc/46/56/82/854465682.db2.gz QHAHWWIPLTVVKL-VQTJNVASSA-N -1 3 408.477 4.038 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)nc2)n1 ZINC000301789870 854465925 /nfs/dbraw/zinc/46/59/25/854465925.db2.gz QHAHWWIPLTVVKL-UXHICEINSA-N -1 3 408.477 4.038 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3)nc2)n1 ZINC000301906171 854490047 /nfs/dbraw/zinc/49/00/47/854490047.db2.gz QNKQTWAXRVRQOJ-OAHLLOKOSA-N -1 3 413.884 4.290 20 0 HIADHM Cc1cc2sc([N-]C(=O)c3sccc3S(=O)(=O)C(F)F)nc2c(C)c1 ZINC000303259310 854839476 /nfs/dbraw/zinc/83/94/76/854839476.db2.gz DWICVTBWWPQXDP-UHFFFAOYSA-N -1 3 402.469 4.223 20 0 HIADHM O=C(Nc1ccc(OCc2cn3ccccc3n2)cc1)c1c[n-]c2ccccc2c1=O ZINC000303266930 854842919 /nfs/dbraw/zinc/84/29/19/854842919.db2.gz ITXZWFDAQHERLS-UHFFFAOYSA-N -1 3 410.433 4.419 20 0 HIADHM CC1CCN([C@H](CNC(=O)c2ccc3[n-]c(=S)oc3c2)c2cccs2)CC1 ZINC000303699821 855140029 /nfs/dbraw/zinc/14/00/29/855140029.db2.gz NVGKFGOTDAXWIC-MRXNPFEDSA-N -1 3 401.557 4.381 20 0 HIADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1cncc(Br)c1 ZINC000314825535 855376722 /nfs/dbraw/zinc/37/67/22/855376722.db2.gz PTAYEOBTIRNPFJ-UHFFFAOYSA-N -1 3 415.618 4.317 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 ZINC000315708639 855379109 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Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)c3ccc(Br)s3)cc2)n1 ZINC000409612636 855564756 /nfs/dbraw/zinc/56/47/56/855564756.db2.gz QTYJUGDDXVFUPI-LLVKDONJSA-N -1 3 418.316 4.312 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)O[C@H](c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000409772143 855645998 /nfs/dbraw/zinc/64/59/98/855645998.db2.gz MJRBTZMRTAAVBD-VFNWGFHPSA-N -1 3 404.470 4.152 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)cc2)cc(=O)[n-]1 ZINC000409772882 855646674 /nfs/dbraw/zinc/64/66/74/855646674.db2.gz NDQZMWNDDFEVPA-AUSIDOKSSA-N -1 3 418.497 4.447 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3csc(CCc4ccccc4)n3)cc2)n1 ZINC000409878444 855703293 /nfs/dbraw/zinc/70/32/93/855703293.db2.gz OJDBFIGVKRMUDY-UHFFFAOYSA-N -1 3 416.506 4.239 20 0 HIADHM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1cccc(Cl)c1Br ZINC000409927633 855729054 /nfs/dbraw/zinc/72/90/54/855729054.db2.gz KERCIMBURLTNNU-UHFFFAOYSA-N -1 3 413.724 4.105 20 0 HIADHM COc1ccsc1C(=O)[N-]c1nnc(-c2cc(Br)ccc2F)s1 ZINC000410005554 855775043 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O=C([O-])[C@H](Cc1c(F)cccc1Cl)NCc1cc(F)ccc1Br ZINC000426760696 856462551 /nfs/dbraw/zinc/46/25/51/856462551.db2.gz UAJUJFDRKOXMOV-HNNXBMFYSA-N -1 3 404.638 4.166 20 0 HIADHM COc1ccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccsc3)s2)cc1OC ZINC000426802560 856486453 /nfs/dbraw/zinc/48/64/53/856486453.db2.gz WJOYNPHMKPLZFX-HNNXBMFYSA-N -1 3 404.513 4.194 20 0 HIADHM O=C([O-])[C@H](NCc1ccc(OCC(F)F)cc1)c1ccc(Br)cc1 ZINC000426802634 856486852 /nfs/dbraw/zinc/48/68/52/856486852.db2.gz XBLJUTDOKJYXFM-MRXNPFEDSA-N -1 3 400.219 4.009 20 0 HIADHM O=C([O-])[C@@H](NCc1cccc(OCC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000426810562 856490958 /nfs/dbraw/zinc/49/09/58/856490958.db2.gz IUPLGLAUAKOKLO-HNNXBMFYSA-N -1 3 418.209 4.306 20 0 HIADHM O=C([O-])C[C@@H](NCc1ccc(OCC(F)F)cc1)c1cccc(Br)c1 ZINC000426810489 856491484 /nfs/dbraw/zinc/49/14/84/856491484.db2.gz ZTXCRFBYVHIYIL-MRXNPFEDSA-N -1 3 414.246 4.399 20 0 HIADHM COc1ccc([C@@H](NCc2ccc(Cl)c(Br)c2)C(=O)[O-])cc1F ZINC000426825622 856500957 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882769802 /nfs/dbraw/zinc/76/98/02/882769802.db2.gz ASZRYVKLQITNSY-UHFFFAOYSA-N -1 3 414.864 4.356 20 0 HIADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461108091 874028745 /nfs/dbraw/zinc/02/87/45/874028745.db2.gz MLKKPQFOFQTLOI-UHFFFAOYSA-N -1 3 404.479 4.472 20 0 HIADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC2(C1)CCCCC2 ZINC000461159009 874116014 /nfs/dbraw/zinc/11/60/14/874116014.db2.gz LKLJAGRTBFZUIG-UHFFFAOYSA-N -1 3 416.518 4.423 20 0 HIADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC2(C1)CCCCC2 ZINC000461173527 874148479 /nfs/dbraw/zinc/14/84/79/874148479.db2.gz VQWZJYMMMDYRSW-UHFFFAOYSA-N -1 3 416.518 4.423 20 0 HIADHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc2)c1C ZINC000461217119 874219496 /nfs/dbraw/zinc/21/94/96/874219496.db2.gz KMWGVSGCNLOQKI-UHFFFAOYSA-N -1 3 418.478 4.009 20 0 HIADHM Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)c(=O)[n-]1 ZINC000461263774 874271460 /nfs/dbraw/zinc/27/14/60/874271460.db2.gz MUOVNHGNGVZKGZ-KRWDZBQOSA-N 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Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)sc1Br ZINC000462684403 875777012 /nfs/dbraw/zinc/77/70/12/875777012.db2.gz OIURHLLEQRLPME-KBPBESRZSA-N -1 3 416.362 4.018 20 0 HIADHM CSc1ccc(OCCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000463044600 876070401 /nfs/dbraw/zinc/07/04/01/876070401.db2.gz PDRQRNQPCRAFQS-UHFFFAOYSA-N -1 3 410.524 4.414 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2nc(C)c(C)nc2C)cc1 ZINC000463574497 876669208 /nfs/dbraw/zinc/66/92/08/876669208.db2.gz CHJUCIRJJRPEGD-UHFFFAOYSA-N -1 3 424.526 4.072 20 0 HIADHM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000463921363 877041231 /nfs/dbraw/zinc/04/12/31/877041231.db2.gz OPAZXMZYUFARLP-ZBFHGGJFSA-N -1 3 406.523 4.489 20 0 HIADHM CCc1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)s1 ZINC000464086422 877239872 /nfs/dbraw/zinc/23/98/72/877239872.db2.gz GJZZOHFOLZSYLP-UHFFFAOYSA-N -1 3 419.503 4.206 20 0 HIADHM O=S(=O)([N-][C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccc(F)cc1F ZINC000503247449 912227052 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ARHCJACGNDAWLG-OAHLLOKOSA-N -1 3 414.469 4.226 20 0 HIADHM Cc1nn(C(C)C)cc1CNCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000466343242 880100026 /nfs/dbraw/zinc/10/00/26/880100026.db2.gz INYKWCMUPOWMQT-UHFFFAOYSA-N -1 3 416.522 4.002 20 0 HIADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(COCC4CC4)c3)cc2F)c1 ZINC000466354868 880112208 /nfs/dbraw/zinc/11/22/08/880112208.db2.gz ROKXKHLTEMQBJF-UHFFFAOYSA-N -1 3 415.490 4.047 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@@H](c4cccc(Cl)c4)C3)cc2)cc(=O)[n-]1 ZINC000466445247 880222563 /nfs/dbraw/zinc/22/25/63/880222563.db2.gz GFAJANISCBIJSY-HXUWFJFHSA-N -1 3 424.888 4.416 20 0 HIADHM CN(CCC1CCOCC1)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000466480042 880261154 /nfs/dbraw/zinc/26/11/54/880261154.db2.gz COCQZDDDNQHYSL-UHFFFAOYSA-N -1 3 401.507 4.039 20 0 HIADHM CC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000466857415 880627469 /nfs/dbraw/zinc/62/74/69/880627469.db2.gz WHVGOOKJDZRORU-SNVBAGLBSA-N -1 3 414.858 4.254 20 0 HIADHM COC[C@H]1CCCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000467120589 880876781 /nfs/dbraw/zinc/87/67/81/880876781.db2.gz PODFOXOALKXWIZ-AWEZNQCLSA-N -1 3 401.507 4.039 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)ccc2C)cc1 ZINC000467240677 880965086 /nfs/dbraw/zinc/96/50/86/880965086.db2.gz GFIOJOBENYDDFE-KXTWHKPSSA-N -1 3 414.527 4.179 20 0 HIADHM Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)CCCc2ccc([O-])c(F)c2)c1C ZINC000469107987 883199419 /nfs/dbraw/zinc/19/94/19/883199419.db2.gz KBOCJBVCTYVHJL-IBGZPJMESA-N -1 3 416.518 4.011 20 0 HIADHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCCc2ccc([O-])c(F)c2)cc1C ZINC000469172411 883271757 /nfs/dbraw/zinc/27/17/57/883271757.db2.gz JTZXBKGKYPLLHZ-IBGZPJMESA-N -1 3 416.518 4.011 20 0 HIADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)c1nccs1 ZINC000469267327 883363798 /nfs/dbraw/zinc/36/37/98/883363798.db2.gz NBVDOWAAAISPHM-CQSZACIVSA-N -1 3 400.953 4.405 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)NCC1(c2ccccc2Br)CC1 ZINC000469384084 883524014 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HIADHM Cc1nc(-c2ccc(NC(=O)NCCCn3ccc4ccccc43)cc2)cc(=O)[n-]1 ZINC000503784918 912823566 /nfs/dbraw/zinc/82/35/66/912823566.db2.gz SUFFXMZRHIOLGE-UHFFFAOYSA-N -1 3 401.470 4.324 20 0 HIADHM CCCC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)CC1 ZINC000470237325 884566309 /nfs/dbraw/zinc/56/63/09/884566309.db2.gz OSVJHBDDAMZTMH-UHFFFAOYSA-N -1 3 404.507 4.245 20 0 HIADHM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000470264418 884613112 /nfs/dbraw/zinc/61/31/12/884613112.db2.gz UHRACUVZTPLVKM-UHFFFAOYSA-N -1 3 420.775 4.084 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000470294697 884670888 /nfs/dbraw/zinc/67/08/88/884670888.db2.gz FMUVMDMFJVBWAA-GFCCVEGCSA-N -1 3 411.246 4.132 20 0 HIADHM COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000503878815 912849692 /nfs/dbraw/zinc/84/96/92/912849692.db2.gz ZFIHMRPWNKUKAQ-ZDUSSCGKSA-N -1 3 408.458 4.058 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000470556849 884971586 /nfs/dbraw/zinc/97/15/86/884971586.db2.gz RKCUYJRUMXPECT-GOSISDBHSA-N -1 3 414.506 4.036 20 0 HIADHM Cn1ncc2c1ncc(C(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1)c2[O-] ZINC000470602489 885029545 /nfs/dbraw/zinc/02/95/45/885029545.db2.gz ZBZJVEYVDICHPU-INIZCTEOSA-N -1 3 404.392 4.060 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000470620879 885044497 /nfs/dbraw/zinc/04/44/97/885044497.db2.gz HKSYNOFYNBSCPI-UHFFFAOYSA-N -1 3 419.915 4.392 20 0 HIADHM COc1ccc([C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C2CC2)cc1 ZINC000504023037 912927202 /nfs/dbraw/zinc/92/72/02/912927202.db2.gz QNLAKCSCZMJCBG-JOCHJYFZSA-N -1 3 404.470 4.439 20 0 HIADHM O=c1[n-]c(CN2CCC[C@H](OCc3ccccc3F)C2)nc2c3ccccc3oc21 ZINC000470920079 885426252 /nfs/dbraw/zinc/42/62/52/885426252.db2.gz ONCKRFAVQPBIBI-INIZCTEOSA-N -1 3 407.445 4.402 20 0 HIADHM O=C(NCc1ncccc1[O-])Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000471260295 885839801 /nfs/dbraw/zinc/83/98/01/885839801.db2.gz YSWSORWNZUHFAW-UHFFFAOYSA-N -1 3 415.247 4.059 20 0 HIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000471327855 885923630 /nfs/dbraw/zinc/92/36/30/885923630.db2.gz MVCLELLTGYFCHP-CYBMUJFWSA-N -1 3 416.474 4.268 20 0 HIADHM O[C@H](COc1cccc2[nH]ccc21)CSc1nnc([N-]c2ccccc2F)s1 ZINC000471439457 886101127 /nfs/dbraw/zinc/10/11/27/886101127.db2.gz ANWMCFZWPDRPON-GFCCVEGCSA-N -1 3 416.503 4.434 20 0 HIADHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)cs1 ZINC000471622402 886339915 /nfs/dbraw/zinc/33/99/15/886339915.db2.gz RVJWVOZZXWZHHV-LURJTMIESA-N -1 3 413.721 4.046 20 0 HIADHM Cn1ccc2cccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)c21 ZINC000471703525 886411635 /nfs/dbraw/zinc/41/16/35/886411635.db2.gz WNPWXDMFLORORS-UHFFFAOYSA-N -1 3 423.469 4.371 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2noc(-c3ccccc3)n2)c1Cl ZINC000471883699 886664382 /nfs/dbraw/zinc/66/43/82/886664382.db2.gz GBNRYXIINYJQKR-NSHDSACASA-N -1 3 412.298 4.391 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000472037051 886856099 /nfs/dbraw/zinc/85/60/99/886856099.db2.gz FUWVQDAUGOPYHA-GOEBONIOSA-N -1 3 407.283 4.429 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472037053 886856982 /nfs/dbraw/zinc/85/69/82/886856982.db2.gz FUWVQDAUGOPYHA-ZBFHGGJFSA-N -1 3 407.283 4.429 20 0 HIADHM Cc1sc(CC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)nc1-c1ccccc1 ZINC000472352835 887188613 /nfs/dbraw/zinc/18/86/13/887188613.db2.gz FQCZXQBVYHCKCQ-UHFFFAOYSA-N -1 3 412.458 4.057 20 0 HIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(C(F)(F)F)c1C ZINC000472809698 887653918 /nfs/dbraw/zinc/65/39/18/887653918.db2.gz UKACJPVWYJWDLZ-UHFFFAOYSA-N -1 3 402.376 4.061 20 0 HIADHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl ZINC000473047763 887869724 /nfs/dbraw/zinc/86/97/24/887869724.db2.gz JGYZFJRVPVBAPI-UHFFFAOYSA-N -1 3 416.264 4.016 20 0 HIADHM O=c1nc(CN2CC[C@@]3(C2)OCc2ccccc23)[n-]c2scc(-c3ccco3)c21 ZINC000473161162 887940172 /nfs/dbraw/zinc/94/01/72/887940172.db2.gz GAZCSASARIEYBJ-QFIPXVFZSA-N -1 3 405.479 4.288 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000473395594 888108501 /nfs/dbraw/zinc/10/85/01/888108501.db2.gz MVQRXFYTPORAEG-UHFFFAOYSA-N -1 3 421.885 4.351 20 0 HIADHM O=C(NCc1ncccc1[O-])c1ccc(COc2ccccc2Br)cc1 ZINC000473636916 888378350 /nfs/dbraw/zinc/37/83/50/888378350.db2.gz IHFMABJLVHCWCI-UHFFFAOYSA-N -1 3 413.271 4.059 20 0 HIADHM CCCN(C)[C@H](CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000504490842 913281548 /nfs/dbraw/zinc/28/15/48/913281548.db2.gz YKZZLMKNSTYNEF-OFNKIYASSA-N -1 3 416.949 4.272 20 0 HIADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)sc1Cl ZINC000473936129 888814278 /nfs/dbraw/zinc/81/42/78/888814278.db2.gz IUNOAJNFHIRNGP-SECBINFHSA-N -1 3 415.890 4.125 20 0 HIADHM C[C@H]([N-]S(=O)(=O)c1sccc1Br)c1cc2cccc(F)c2o1 ZINC000474387202 889259414 /nfs/dbraw/zinc/25/94/14/889259414.db2.gz AGPVQPDBZQGUTH-QMMMGPOBSA-N -1 3 404.282 4.435 20 0 HIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000474650018 889512025 /nfs/dbraw/zinc/51/20/25/889512025.db2.gz DYMVFXRTHIYKFV-GOSISDBHSA-N -1 3 418.440 4.477 20 0 HIADHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cn(-c2ccccc2Cl)nn1 ZINC000504614617 913368675 /nfs/dbraw/zinc/36/86/75/913368675.db2.gz OZKSGOYHEMXMGF-UHFFFAOYSA-N -1 3 402.911 4.147 20 0 HIADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N(Cc1ccc(-c2ccccc2)s1)C1CCCCC1 ZINC000474915670 889777658 /nfs/dbraw/zinc/77/76/58/889777658.db2.gz WKAFAXGLDIFJBO-UHFFFAOYSA-N -1 3 424.526 4.174 20 0 HIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000474990671 889843167 /nfs/dbraw/zinc/84/31/67/889843167.db2.gz ZYDFGSFDTBKXID-UHFFFAOYSA-N -1 3 402.863 4.306 20 0 HIADHM CC[C@@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1nc(C(F)(F)F)cs1 ZINC000474990200 889843383 /nfs/dbraw/zinc/84/33/83/889843383.db2.gz QBSBWDXNODMRQY-SECBINFHSA-N -1 3 402.442 4.145 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000504646313 913390493 /nfs/dbraw/zinc/39/04/93/913390493.db2.gz GPFBGRIHLWXOCX-AWEZNQCLSA-N -1 3 403.910 4.125 20 0 HIADHM Cc1nc(C)c(CCC(=O)NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)c(=O)[n-]1 ZINC000504708237 913440507 /nfs/dbraw/zinc/44/05/07/913440507.db2.gz NZYOXDLCAHYSQQ-UHFFFAOYSA-N -1 3 417.509 4.040 20 0 HIADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1ccc(Br)cc1F ZINC000475574999 890506487 /nfs/dbraw/zinc/50/64/87/890506487.db2.gz YNJTXNUEQHIQKV-SFHVURJKSA-N -1 3 421.291 4.051 20 0 HIADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(OCc3ccccn3)c2)cc1F ZINC000475742239 890684183 /nfs/dbraw/zinc/68/41/83/890684183.db2.gz NIURLTWMJJFPQW-OAHLLOKOSA-N -1 3 418.465 4.287 20 0 HIADHM CCCc1cc(=O)[n-]c(C(=Cc2ncc(I)s2)CC)n1 ZINC000504738758 913477528 /nfs/dbraw/zinc/47/75/28/913477528.db2.gz ACMDUSCLKJENNC-TWGQIWQCSA-N -1 3 401.273 4.146 20 0 HIADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)c(C)c1C ZINC000475839543 890772704 /nfs/dbraw/zinc/77/27/04/890772704.db2.gz ZOSFIVOYEOZZFM-UHFFFAOYSA-N -1 3 403.548 4.431 20 0 HIADHM O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476136268 891059174 /nfs/dbraw/zinc/05/91/74/891059174.db2.gz FOCIUCSZEWPZFY-UHFFFAOYSA-N -1 3 407.175 4.086 20 0 HIADHM CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476182896 891114746 /nfs/dbraw/zinc/11/47/46/891114746.db2.gz ZFOPPRYUIUOLTQ-GOSISDBHSA-N -1 3 420.431 4.349 20 0 HIADHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000476573640 891494185 /nfs/dbraw/zinc/49/41/85/891494185.db2.gz OEFIPJLXCOMCDE-OWCLPIDISA-N -1 3 404.507 4.133 20 0 HIADHM O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCc1ccc([O-])c(Br)c1 ZINC000477106509 892039380 /nfs/dbraw/zinc/03/93/80/892039380.db2.gz AXQLEYVLYUIUNG-UHFFFAOYSA-N -1 3 421.291 4.276 20 0 HIADHM CCc1cc(=O)[n-]c(CSCC(=O)c2cc(C)n(Cc3cccs3)c2C)n1 ZINC000477357378 892322342 /nfs/dbraw/zinc/32/23/42/892322342.db2.gz UBECUOGBIJZBJW-UHFFFAOYSA-N -1 3 401.557 4.389 20 0 HIADHM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)cc1OC ZINC000477428556 892382130 /nfs/dbraw/zinc/38/21/30/892382130.db2.gz YGNJAKVWUMPGDV-UHFFFAOYSA-N -1 3 424.675 4.060 20 0 HIADHM CCc1cc(=O)[n-]c(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)n1 ZINC000477631401 892749117 /nfs/dbraw/zinc/74/91/17/892749117.db2.gz LXVFEQLLCIODLL-UHFFFAOYSA-N -1 3 419.525 4.119 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)cc2)cc(=O)[n-]1 ZINC000477823119 892889295 /nfs/dbraw/zinc/88/92/95/892889295.db2.gz UPOISGBYFSSARE-IBGZPJMESA-N -1 3 418.453 4.255 20 0 HIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2csc(Cc3ccc(F)cc3)n2)c1F ZINC000478074946 893236984 /nfs/dbraw/zinc/23/69/84/893236984.db2.gz IJGJENGWRBBFIK-UHFFFAOYSA-N -1 3 406.385 4.190 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@@H]1CC[C@@H](C)C1 ZINC000478154664 893323424 /nfs/dbraw/zinc/32/34/24/893323424.db2.gz VMVKDHNLBWAREG-GDBMZVCRSA-N -1 3 404.507 4.101 20 0 HIADHM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)[C@@H]1CCC(C)(C)C1 ZINC000478201759 893364675 /nfs/dbraw/zinc/36/46/75/893364675.db2.gz 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Cc1c(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)nnn1-c1ccccc1 ZINC000478760562 894037320 /nfs/dbraw/zinc/03/73/20/894037320.db2.gz QDFFSKYJIATLBD-UHFFFAOYSA-N -1 3 414.853 4.139 20 0 HIADHM Cc1csc2c1ncnc2N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000479374269 894675122 /nfs/dbraw/zinc/67/51/22/894675122.db2.gz CWUAOAJOTCESAR-UHFFFAOYSA-N -1 3 402.907 4.214 20 0 HIADHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4noc(CC(C)(C)C)n4)cc3)n[n-]2)o1 ZINC000479463743 894785299 /nfs/dbraw/zinc/78/52/99/894785299.db2.gz LYORZKZDDPZMQW-UHFFFAOYSA-N -1 3 406.446 4.264 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3CC4(CCOCC4)c4ccccc43)cc2)cc(=O)[n-]1 ZINC000479555776 894854496 /nfs/dbraw/zinc/85/44/96/894854496.db2.gz OZYMIHVXCZVTAL-UHFFFAOYSA-N -1 3 416.481 4.258 20 0 HIADHM Cc1ccc(NC(=O)[C@@H]2CCC(F)(F)C2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000479563439 894860615 /nfs/dbraw/zinc/86/06/15/894860615.db2.gz BZVANCRMEDKZRX-CYBMUJFWSA-N -1 3 412.433 4.309 20 0 HIADHM CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000479764823 895064599 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421.291 4.034 20 0 HIADHM CC1(C)C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)c2ccc(F)cc2O1 ZINC000482935187 898556657 /nfs/dbraw/zinc/55/66/57/898556657.db2.gz GXCRZZMWHXXYEC-OAHLLOKOSA-N -1 3 423.282 4.395 20 0 HIADHM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483016157 898672728 /nfs/dbraw/zinc/67/27/28/898672728.db2.gz QUHLCHPPGDWZQI-LLVKDONJSA-N -1 3 424.452 4.124 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN[C@H](C)c3ccc(C)o3)c2)cc1 ZINC000483139408 898819466 /nfs/dbraw/zinc/81/94/66/898819466.db2.gz DYFLVCKGBPBKJF-MRXNPFEDSA-N -1 3 400.500 4.248 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1C ZINC000483165353 898834832 /nfs/dbraw/zinc/83/48/32/898834832.db2.gz HHCFVJUVFXFUFS-UHFFFAOYSA-N -1 3 421.584 4.352 20 0 HIADHM CCn1c(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)nc2c1cccc2F ZINC000483177523 898843398 /nfs/dbraw/zinc/84/33/98/898843398.db2.gz JROWKXIEAZLIRU-UHFFFAOYSA-N -1 3 420.473 4.322 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000483564241 899220634 /nfs/dbraw/zinc/22/06/34/899220634.db2.gz SRSDVWXBHGJEBQ-UHFFFAOYSA-N -1 3 421.345 4.111 20 0 HIADHM CCCCCN(Cc1ccc(Cl)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483567662 899222520 /nfs/dbraw/zinc/22/25/20/899222520.db2.gz YTSPDIOLUDZBKF-UHFFFAOYSA-N -1 3 403.836 4.379 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000483572824 899227009 /nfs/dbraw/zinc/22/70/09/899227009.db2.gz YOBGMUZOIRNALA-ZDUSSCGKSA-N -1 3 401.820 4.304 20 0 HIADHM Cc1ccccc1CN(Cc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483576822 899229882 /nfs/dbraw/zinc/22/98/82/899229882.db2.gz GDASZGQRFFYLRF-UHFFFAOYSA-N -1 3 403.408 4.044 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)C3CCCCC3)c2)n1 ZINC000484097163 899726134 /nfs/dbraw/zinc/72/61/34/899726134.db2.gz QYBQGNXYJBRZMX-HOTGVXAUSA-N -1 3 424.545 4.071 20 0 HIADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000484197411 899809236 /nfs/dbraw/zinc/80/92/36/899809236.db2.gz 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Cc1ccc(Nc2cccc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)c2)nn1 ZINC000485144576 900444294 /nfs/dbraw/zinc/44/42/94/900444294.db2.gz TZRMLJIWUJENOP-UHFFFAOYSA-N -1 3 411.425 4.312 20 0 HIADHM Cc1ccc(Nc2cccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)c2)nn1 ZINC000485144576 900444299 /nfs/dbraw/zinc/44/42/99/900444299.db2.gz TZRMLJIWUJENOP-UHFFFAOYSA-N -1 3 411.425 4.312 20 0 HIADHM Cc1ccc(Cn2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000485394268 900690543 /nfs/dbraw/zinc/69/05/43/900690543.db2.gz UUTBKIQDFWOLAY-UHFFFAOYSA-N -1 3 423.321 4.313 20 0 HIADHM CCCCc1nc(NC(=O)c2ccc(F)cc2Br)c(C(=O)OCC)[n-]1 ZINC000485701083 900950018 /nfs/dbraw/zinc/95/00/18/900950018.db2.gz ISYZCLAESLEQEJ-UHFFFAOYSA-N -1 3 412.259 4.083 20 0 HIADHM COc1cccc([C@@H]2CN(Cc3nc(=O)c4c(-c5ccco5)csc4[n-]3)CCO2)c1 ZINC000486134977 901322727 /nfs/dbraw/zinc/32/27/27/901322727.db2.gz FZYDOUSFQGSKTG-SFHVURJKSA-N -1 3 423.494 4.239 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000486425524 901584137 /nfs/dbraw/zinc/58/41/37/901584137.db2.gz RKKDXUQBIAFHMY-UHFFFAOYSA-N -1 3 405.267 4.293 20 0 HIADHM CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000486426159 901585307 /nfs/dbraw/zinc/58/53/07/901585307.db2.gz OUSHUPARYQAYTL-NSHDSACASA-N -1 3 412.353 4.385 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000486428209 901587412 /nfs/dbraw/zinc/58/74/12/901587412.db2.gz YNOTXRFDHHZDPV-UHFFFAOYSA-N -1 3 423.282 4.047 20 0 HIADHM COc1ccc(CN(C(=O)NCc2ccc([O-])c(Br)c2)C2CC2)cc1 ZINC000486644388 901771243 /nfs/dbraw/zinc/77/12/43/901771243.db2.gz ZHCWFUGZZUWNIA-UHFFFAOYSA-N -1 3 405.292 4.038 20 0 HIADHM Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1ccc([O-])c(Br)c1)CCC2 ZINC000486657297 901778337 /nfs/dbraw/zinc/77/83/37/901778337.db2.gz NBIKMNLTFFTXMJ-CQSZACIVSA-N -1 3 410.337 4.139 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)c4ccccc4[nH]c3=O)c2)n1 ZINC000486782782 901851335 /nfs/dbraw/zinc/85/13/35/901851335.db2.gz ZDUDDQFALCPAPJ-UHFFFAOYSA-N -1 3 400.438 4.226 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000486835014 901885365 /nfs/dbraw/zinc/88/53/65/901885365.db2.gz VFUVFBSEUATVHZ-SSDOTTSWSA-N -1 3 404.357 4.220 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](c2ccccc2)C(C)C)cc1OC ZINC000486917807 901962241 /nfs/dbraw/zinc/96/22/41/901962241.db2.gz SSRHMNUDPKOXBL-GOSISDBHSA-N -1 3 404.532 4.225 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)c(C)c1 ZINC000487261564 902124471 /nfs/dbraw/zinc/12/44/71/902124471.db2.gz APCISFODCDIHSN-UHFFFAOYSA-N -1 3 409.573 4.126 20 0 HIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3sc(-c4ccccc4)cc3c(=O)n2C)n1 ZINC000487984893 902507832 /nfs/dbraw/zinc/50/78/32/902507832.db2.gz AALIRXUBCSIOBI-LBPRGKRZSA-N -1 3 410.524 4.319 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(CC)Cc3cccc(F)c3)nc(=O)c2c1C ZINC000488590713 902892420 /nfs/dbraw/zinc/89/24/20/902892420.db2.gz CWNLYWDGKNFNCC-CYBMUJFWSA-N -1 3 417.506 4.192 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(-c2ccccc2Cl)on1 ZINC000488670761 902930760 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20 0 HIADHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1cccc(Cl)c1Br ZINC000493442958 905125972 /nfs/dbraw/zinc/12/59/72/905125972.db2.gz QMKTZGDHAXULLK-UHFFFAOYSA-N -1 3 417.737 4.191 20 0 HIADHM Cc1ccnc([C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)C2CC2)n1 ZINC000493894307 905250004 /nfs/dbraw/zinc/25/00/04/905250004.db2.gz NAMHYTCPNKOTCY-IBGZPJMESA-N -1 3 421.950 4.047 20 0 HIADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F ZINC000494324211 905636781 /nfs/dbraw/zinc/63/67/81/905636781.db2.gz AOQQUYZVUVZVSR-JTQLQIEISA-N -1 3 409.451 4.087 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3CCC(c4noc(C(C)C)n4)CC3)cc2)cc(=O)[n-]1 ZINC000494328370 905640896 /nfs/dbraw/zinc/64/08/96/905640896.db2.gz LACAIRCLKISIKM-UHFFFAOYSA-N -1 3 422.489 4.076 20 0 HIADHM CCCn1ccc2cc(NC(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)ccc21 ZINC000512554014 921232914 /nfs/dbraw/zinc/23/29/14/921232914.db2.gz BWCXEGKKWJMMRL-UHFFFAOYSA-N -1 3 415.497 4.076 20 0 HIADHM COC(=O)c1cc(C)nc2nc(SCCCOc3c(C)cccc3C)[n-]c(=O)c12 ZINC000495887469 906571508 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HIADHM Cc1ccc(-c2nc(NC(=O)c3cc(C)nc4cc(Br)ccc43)n[n-]2)o1 ZINC000497739671 907236492 /nfs/dbraw/zinc/23/64/92/907236492.db2.gz PFCSUUQCSJPSKL-UHFFFAOYSA-N -1 3 412.247 4.245 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1Cl ZINC000512781162 921310362 /nfs/dbraw/zinc/31/03/62/921310362.db2.gz MZEBADJESLBHKM-UHFFFAOYSA-N -1 3 412.639 4.190 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CO[C@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000497913197 907383766 /nfs/dbraw/zinc/38/37/66/907383766.db2.gz IUPQCEDBYVHYFE-UWJYYQICSA-N -1 3 416.543 4.330 20 0 HIADHM COC(=O)C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000498237588 907770346 /nfs/dbraw/zinc/77/03/46/907770346.db2.gz GAWAOMHWVHSDJW-OAHLLOKOSA-N -1 3 401.768 4.099 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3nc4cccnc4s3)cc2)cc1 ZINC000512880976 921377141 /nfs/dbraw/zinc/37/71/41/921377141.db2.gz FHSQKXCEZHQSPA-UHFFFAOYSA-N -1 3 424.507 4.053 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3nc(-c4ccsc4)no3)c2)n1 ZINC000500347785 909804922 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BZEKMNSCEUWKBO-GOSISDBHSA-N -1 3 405.401 4.298 20 0 HIADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)c1 ZINC000508218376 917037917 /nfs/dbraw/zinc/03/79/17/917037917.db2.gz YSYGJUCTQZPJDX-UHFFFAOYSA-N -1 3 414.321 4.022 20 0 HIADHM CCCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000508282011 917096123 /nfs/dbraw/zinc/09/61/23/917096123.db2.gz XUVODZNHLVIWPJ-UHFFFAOYSA-N -1 3 412.914 4.460 20 0 HIADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1cc(Cl)ccc1C(F)(F)F ZINC000508758338 917513211 /nfs/dbraw/zinc/51/32/11/917513211.db2.gz IKTFWKNOSOVCBW-UHFFFAOYSA-N -1 3 416.808 4.492 20 0 HIADHM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1c(Cl)cccc1Br ZINC000509177561 917888905 /nfs/dbraw/zinc/88/89/05/917888905.db2.gz GWQHGLWAFWDDTP-GFCCVEGCSA-N -1 3 422.772 4.263 20 0 HIADHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509191016 917897460 /nfs/dbraw/zinc/89/74/60/917897460.db2.gz YOFRQRMKPWOAHY-NSHDSACASA-N -1 3 416.724 4.042 20 0 HIADHM COc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000509235168 917931957 /nfs/dbraw/zinc/93/19/57/917931957.db2.gz ONTWTZGRPTVVCB-UHFFFAOYSA-N -1 3 418.421 4.027 20 0 HIADHM CCO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)c1ccccc1 ZINC000509239204 917934740 /nfs/dbraw/zinc/93/47/40/917934740.db2.gz XYACSKQTECTTJU-HNNXBMFYSA-N -1 3 418.740 4.159 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4cc(Br)ccc4[nH]3)cc2)n1 ZINC000509346103 918010864 /nfs/dbraw/zinc/01/08/64/918010864.db2.gz SLRPREQPYUMSNU-UHFFFAOYSA-N -1 3 423.270 4.241 20 0 HIADHM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000509382708 918049031 /nfs/dbraw/zinc/04/90/31/918049031.db2.gz FRCGWBJUYIDUKP-UHFFFAOYSA-N -1 3 415.368 4.145 20 0 HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)CC(F)(F)F)cc2)c(C)c1 ZINC000509382913 918049165 /nfs/dbraw/zinc/04/91/65/918049165.db2.gz AUSKYTZKWSOFDD-UHFFFAOYSA-N -1 3 400.422 4.304 20 0 HIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(F)(F)F)cc2)cc1 ZINC000509390585 918056703 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CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1Br ZINC000540338357 939199466 /nfs/dbraw/zinc/19/94/66/939199466.db2.gz ONOUVOJJXILUFB-UHFFFAOYSA-N -1 3 411.321 4.134 20 0 HIADHM O=S(=O)([N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c[nH]c2ncccc12 ZINC000540483627 939270024 /nfs/dbraw/zinc/27/00/24/939270024.db2.gz LWGSHVDIPDHREL-CYBMUJFWSA-N -1 3 423.338 4.164 20 0 HIADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000540518622 939284881 /nfs/dbraw/zinc/28/48/81/939284881.db2.gz ZUICZWRMINCJRJ-UHFFFAOYSA-N -1 3 424.464 4.143 20 0 HIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1 ZINC000540782840 939370447 /nfs/dbraw/zinc/37/04/47/939370447.db2.gz VHOIXXMUHVIVAX-UHFFFAOYSA-N -1 3 420.947 4.474 20 0 HIADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000541086066 939454775 /nfs/dbraw/zinc/45/47/75/939454775.db2.gz XUVWCZCAEJSMEB-UHFFFAOYSA-N -1 3 421.828 4.293 20 0 HIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(c2cccc(Br)c2)CC1 ZINC000541247266 939487522 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403.479 4.023 20 0 HIADHM Cc1nc(C)c(Cc2nc(-c3cccc4c(Br)cccc34)no2)c(=O)[n-]1 ZINC000546470568 940828908 /nfs/dbraw/zinc/82/89/08/940828908.db2.gz PTDDZHQBKDSPQH-UHFFFAOYSA-N -1 3 411.259 4.356 20 0 HIADHM Cc1ccccc1[C@@H](C)c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000546541511 940847579 /nfs/dbraw/zinc/84/75/79/940847579.db2.gz DECPMKAZZYVCJN-ZIAGYGMSSA-N -1 3 405.907 4.223 20 0 HIADHM C[C@@H]1CC[C@H](NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C[C@@H]1C ZINC000546746803 940875667 /nfs/dbraw/zinc/87/56/67/940875667.db2.gz LKNZKQVLZUTGDX-KEYYUXOJSA-N -1 3 407.942 4.230 20 0 HIADHM COc1ccccc1C1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000546848313 940894420 /nfs/dbraw/zinc/89/44/20/940894420.db2.gz XKCZFUFCVLJZTI-UHFFFAOYSA-N -1 3 419.319 4.084 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000546996912 940948330 /nfs/dbraw/zinc/94/83/30/940948330.db2.gz DYKGVPYRMBTACX-UHFFFAOYSA-N -1 3 414.252 4.088 20 0 HIADHM Cc1ccc([C@H](C)c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000547089062 940991085 /nfs/dbraw/zinc/99/10/85/940991085.db2.gz JJTKTJZNJXWCHW-KBPBESRZSA-N -1 3 405.907 4.223 20 0 HIADHM Cc1ccc([C@@H](C)c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000547089063 940991269 /nfs/dbraw/zinc/99/12/69/940991269.db2.gz JJTKTJZNJXWCHW-KGLIPLIRSA-N -1 3 405.907 4.223 20 0 HIADHM CCS[C@H](C)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000547199351 941029327 /nfs/dbraw/zinc/02/93/27/941029327.db2.gz FIJBMNQUQCWETP-GFCCVEGCSA-N -1 3 407.492 4.491 20 0 HIADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c1C ZINC000547953022 941080483 /nfs/dbraw/zinc/08/04/83/941080483.db2.gz YZSRILZLRNPABA-UHFFFAOYSA-N -1 3 404.875 4.092 20 0 HIADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1coc(C2CCCC2)n1 ZINC000549707213 941205275 /nfs/dbraw/zinc/20/52/75/941205275.db2.gz XABVAZGELFPHEN-UHFFFAOYSA-N -1 3 402.252 4.132 20 0 HIADHM O=C([O-])[C@]1(NCc2ccc(Br)c3cccnc23)CCc2c1cccc2F ZINC000551056885 941401879 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4.013 20 0 HIADHM O=S(=O)([N-]c1ccc(Cn2cnc3ccccc32)cc1)c1ccc2c(c1)CCCO2 ZINC000552812006 941773241 /nfs/dbraw/zinc/77/32/41/941773241.db2.gz HFFNWNAYNPUMQC-UHFFFAOYSA-N -1 3 419.506 4.210 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cccc(-c2ccccc2)c1 ZINC000553683046 941943449 /nfs/dbraw/zinc/94/34/49/941943449.db2.gz MVISJXQZOVGNMB-UHFFFAOYSA-N -1 3 410.477 4.379 20 0 HIADHM O=C([N-]c1nc2c(cccc2Br)s1)c1cc(-c2ccccn2)no1 ZINC000553744822 941958104 /nfs/dbraw/zinc/95/81/04/941958104.db2.gz DZSDPCSUARICPA-UHFFFAOYSA-N -1 3 401.245 4.361 20 0 HIADHM O=C(Nc1nc2c(cccc2Br)s1)c1c[n-]c2ccccc2c1=O ZINC000553747139 941958522 /nfs/dbraw/zinc/95/85/22/941958522.db2.gz XIZKQFRKWIJVLA-UHFFFAOYSA-N -1 3 400.257 4.153 20 0 HIADHM O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1cc([O-])ccc1Cl ZINC000553990681 942014153 /nfs/dbraw/zinc/01/41/53/942014153.db2.gz YJDUQQZLLMRERT-UHFFFAOYSA-N -1 3 416.886 4.240 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@H](CCO)c3ccc(Cl)cc3)cc2)cc(=O)[n-]1 ZINC000554401112 942127529 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CC(=O)c1cccc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)c1[O-] ZINC000556893159 942954190 /nfs/dbraw/zinc/95/41/90/942954190.db2.gz SJZJLGVZYOSJDF-UHFFFAOYSA-N -1 3 401.260 4.328 20 0 HIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1cccs1)C1Cc2ccccc2C1 ZINC000557159669 943034878 /nfs/dbraw/zinc/03/48/78/943034878.db2.gz LYAYMYRSNZKNGG-UHFFFAOYSA-N -1 3 400.503 4.399 20 0 HIADHM CC(=O)c1cccc(NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c1[O-] ZINC000557495689 943167631 /nfs/dbraw/zinc/16/76/31/943167631.db2.gz HUCSKPXRSWNKQR-UHFFFAOYSA-N -1 3 415.449 4.382 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1C(=O)NC(C)C ZINC000557623560 943235609 /nfs/dbraw/zinc/23/56/09/943235609.db2.gz AHMPCRQCJSMCNV-UHFFFAOYSA-N -1 3 418.559 4.359 20 0 HIADHM Cc1nc(-c2ccc(N3CC[C@@](F)(c4cc(F)cc(F)c4)C3)nc2)[n-]c(=O)c1C ZINC000557689764 943259408 /nfs/dbraw/zinc/25/94/08/943259408.db2.gz AHURLOQUZXFALC-NRFANRHFSA-N -1 3 400.404 4.214 20 0 HIADHM O=S(=O)([N-]Cc1ccc(OCc2ccccc2)cc1)c1cccnc1C(F)(F)F ZINC000557794759 943294169 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Cc1cc(/C=C/C(=O)OCC(=O)[N-]C(=O)c2cccs2)c(C)n1C1CCCCC1 ZINC000024933019 846891995 /nfs/dbraw/zinc/89/19/95/846891995.db2.gz WHCDKRZCINYHIZ-ZHACJKMWSA-N -1 3 414.527 4.185 20 0 HIADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)N[C@H]1CCOc2ccccc21 ZINC000027024837 847236452 /nfs/dbraw/zinc/23/64/52/847236452.db2.gz PNOSQLATLODKMG-AWEZNQCLSA-N -1 3 416.503 4.153 20 0 HIADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)cc2C[C@H]1C ZINC000028260713 847399400 /nfs/dbraw/zinc/39/94/00/847399400.db2.gz RARUUPAMXXMAID-OAHLLOKOSA-N -1 3 414.527 4.106 20 0 HIADHM CC[C@@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000028490721 847426591 /nfs/dbraw/zinc/42/65/91/847426591.db2.gz ODJYGWGNIFFMBQ-LJQANCHMSA-N -1 3 416.543 4.209 20 0 HIADHM CCCCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000028494495 847427627 /nfs/dbraw/zinc/42/76/27/847427627.db2.gz PYUGNVYITZUXLQ-UHFFFAOYSA-N -1 3 418.559 4.457 20 0 HIADHM C[C@@H](S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)NC(C)(C)C ZINC000028660936 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424.497 4.386 20 0 HIADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436522192 861833763 /nfs/dbraw/zinc/83/37/63/861833763.db2.gz KLWKFRRMXGQOSU-TZMOSPSESA-N -1 3 406.526 4.433 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000436533997 861839342 /nfs/dbraw/zinc/83/93/42/861839342.db2.gz KDXJRADRQXTPRM-WTIAFYNJSA-N -1 3 406.526 4.435 20 0 HIADHM CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)[C@H](C)c1cccnc1 ZINC000436524350 861835249 /nfs/dbraw/zinc/83/52/49/861835249.db2.gz GURJOQIBIYKAJM-WZONZLPQSA-N -1 3 417.509 4.258 20 0 HIADHM Cc1ccc(CC[C@@H](C)NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000436526524 861835979 /nfs/dbraw/zinc/83/59/79/861835979.db2.gz JHICHFWSQJUUCU-UZUQRXQVSA-N -1 3 420.509 4.292 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2oc3ccccc3c2C)c1 ZINC000436527628 861836380 /nfs/dbraw/zinc/83/63/80/861836380.db2.gz DOSYVGOXJFUEKT-CYBMUJFWSA-N -1 3 419.437 4.487 20 0 HIADHM CC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1c(C)noc1C ZINC000436530214 861837265 /nfs/dbraw/zinc/83/72/65/861837265.db2.gz BKSYTRDOVSOBTG-LEWJYISDSA-N -1 3 421.497 4.126 20 0 HIADHM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436532047 861837919 /nfs/dbraw/zinc/83/79/19/861837919.db2.gz FYLCDJJDECNQIM-QGZVFWFLSA-N -1 3 410.514 4.197 20 0 HIADHM COc1ccc([C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)c2ccc(C)cc2)cc1 ZINC000436535664 861840334 /nfs/dbraw/zinc/84/03/34/861840334.db2.gz NOCCWDWFWMJSHL-QFIPXVFZSA-N -1 3 407.466 4.246 20 0 HIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000436541398 861843665 /nfs/dbraw/zinc/84/36/65/861843665.db2.gz XCMVQULORICOQF-HSZRJFAPSA-N -1 3 416.521 4.394 20 0 HIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)ccc1F ZINC000031895306 847962933 /nfs/dbraw/zinc/96/29/33/847962933.db2.gz WLKGOXXEAOVNQM-AWEZNQCLSA-N -1 3 422.547 4.044 20 0 HIADHM O=C(CC1CCCC1)NC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436556544 861849942 /nfs/dbraw/zinc/84/99/42/861849942.db2.gz QTSUNOFBWPFLOX-UHFFFAOYSA-N -1 3 422.525 4.486 20 0 HIADHM CCc1cnccc1[C@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436558199 861850370 /nfs/dbraw/zinc/85/03/70/861850370.db2.gz UNNMFLWDJZHJGH-GAJHUEQPSA-N -1 3 417.509 4.088 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCS[C@H]2CCCC[C@H]21 ZINC000436557349 861850475 /nfs/dbraw/zinc/85/04/75/861850475.db2.gz RBABXXGOEVSSHY-VSKRKVRLSA-N -1 3 424.566 4.140 20 0 HIADHM O=C(Nc1cccc(Cn2cccnc2=O)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436560059 861851815 /nfs/dbraw/zinc/85/18/15/861851815.db2.gz CSLPIIDJPHYPEV-UHFFFAOYSA-N -1 3 413.433 4.042 20 0 HIADHM O=C(Nc1cccc(Oc2ccccc2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436562356 861852288 /nfs/dbraw/zinc/85/22/88/861852288.db2.gz FEAPXBALDSADIH-UHFFFAOYSA-N -1 3 417.465 4.174 20 0 HIADHM NC(=O)CCSc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436569784 861855730 /nfs/dbraw/zinc/85/57/30/861855730.db2.gz IQOLARXDYYOWEA-UHFFFAOYSA-N -1 3 422.506 4.191 20 0 HIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc1C ZINC000032589482 848049805 /nfs/dbraw/zinc/04/98/05/848049805.db2.gz YBTBNRONEZPZAM-UHFFFAOYSA-N -1 3 403.529 4.079 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)cc1C ZINC000032589775 848051534 /nfs/dbraw/zinc/05/15/34/848051534.db2.gz IKGATABOVMGMMV-UHFFFAOYSA-N -1 3 411.483 4.448 20 0 HIADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)c(C)c1C ZINC000032630415 848056415 /nfs/dbraw/zinc/05/64/15/848056415.db2.gz OKWAWWFXCLLGOP-UHFFFAOYSA-N -1 3 408.951 4.385 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000436587731 861860807 /nfs/dbraw/zinc/86/08/07/861860807.db2.gz QNCLAMAGTQMMNN-QFIPXVFZSA-N -1 3 409.526 4.173 20 0 HIADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c([O-])c1 ZINC000436592374 861862231 /nfs/dbraw/zinc/86/22/31/861862231.db2.gz UQWWKGFYCGXTGR-UHFFFAOYSA-N -1 3 407.297 4.498 20 0 HIADHM O=C(CCNC(=O)c1cccs1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436603844 861865764 /nfs/dbraw/zinc/86/57/64/861865764.db2.gz ILRXUSSYRDQCPT-UHFFFAOYSA-N -1 3 423.519 4.489 20 0 HIADHM CC1(C2CC2)CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436602701 861865895 /nfs/dbraw/zinc/86/58/95/861865895.db2.gz FZDYPWQAVXYXHW-JOCHJYFZSA-N -1 3 406.526 4.292 20 0 HIADHM O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436605021 861866648 /nfs/dbraw/zinc/86/66/48/861866648.db2.gz DLZMRYWVFCAPCE-UHFFFAOYSA-N -1 3 421.453 4.177 20 0 HIADHM CC(=O)c1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1[O-] ZINC000436612268 861869558 /nfs/dbraw/zinc/86/95/58/861869558.db2.gz XAMPXZRZNVRSDN-UHFFFAOYSA-N -1 3 421.415 4.092 20 0 HIADHM COc1cc(/C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1[O-] ZINC000033747491 848139122 /nfs/dbraw/zinc/13/91/22/848139122.db2.gz MBRCCUURJBZZEK-WAYWQWQTSA-N -1 3 423.259 4.085 20 0 HIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc(=O)c2c1C ZINC000035605585 848144788 /nfs/dbraw/zinc/14/47/88/848144788.db2.gz VUURXWNGSIEACT-MRVPVSSYSA-N -1 3 407.835 4.081 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCc4ccccc43)c2)cc1 ZINC000036310063 848149307 /nfs/dbraw/zinc/14/93/07/848149307.db2.gz HYBKWVFGYBFMGT-UHFFFAOYSA-N -1 3 406.507 4.307 20 0 HIADHM O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436619758 861872477 /nfs/dbraw/zinc/87/24/77/861872477.db2.gz XUUKGMPWVFLKDW-LJQANCHMSA-N -1 3 417.465 4.168 20 0 HIADHM CCc1cc2c(CSc3n[nH]c(-c4ccc(OC)cc4)n3)cc(=O)oc2cc1[O-] ZINC000036819169 848165585 /nfs/dbraw/zinc/16/55/85/848165585.db2.gz ZMENFTUCVILBEG-UHFFFAOYSA-N -1 3 409.467 4.147 20 0 HIADHM O=C(NCCCc1ccc(Cl)cc1Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436621974 861873260 /nfs/dbraw/zinc/87/32/60/861873260.db2.gz CFHZFVPZYWTBFT-GOSISDBHSA-N -1 3 421.324 4.053 20 0 HIADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436622318 861873668 /nfs/dbraw/zinc/87/36/68/861873668.db2.gz DEJIGTPPZYSWBV-AVRDEDQJSA-N -1 3 421.541 4.323 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc(F)c(F)cc1F ZINC000436630109 861875236 /nfs/dbraw/zinc/87/52/36/861875236.db2.gz LWBXVGVGUISFRH-IBGZPJMESA-N -1 3 414.383 4.309 20 0 HIADHM C[C@@H]1c2ccsc2CCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436627922 861875437 /nfs/dbraw/zinc/87/54/37/861875437.db2.gz YZHUJPKYIXREAW-IERDGZPVSA-N -1 3 420.534 4.461 20 0 HIADHM CSc1cccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000436636749 861877389 /nfs/dbraw/zinc/87/73/89/861877389.db2.gz RWMPOYMBXLUTHD-UHFFFAOYSA-N -1 3 413.524 4.313 20 0 HIADHM CSc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC000436638008 861878217 /nfs/dbraw/zinc/87/82/17/861878217.db2.gz DFQRDGQIBKALJM-UHFFFAOYSA-N -1 3 413.524 4.313 20 0 HIADHM C=Cc1ccc(CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436639773 861878365 /nfs/dbraw/zinc/87/83/65/861878365.db2.gz MODNAGDJSRBECD-DEOSSOPVSA-N -1 3 414.505 4.255 20 0 HIADHM CC(C)c1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2s1 ZINC000436652930 861882512 /nfs/dbraw/zinc/88/25/12/861882512.db2.gz RLNYWDJIWLGKLW-KRWDZBQOSA-N -1 3 409.511 4.369 20 0 HIADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2sccc2-c2ccc(C)cc2)o1 ZINC000042036984 848276537 /nfs/dbraw/zinc/27/65/37/848276537.db2.gz IPEDYRCILHSTTH-UHFFFAOYSA-N -1 3 411.527 4.233 20 0 HIADHM Cc1c(Cl)cc(F)c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1F ZINC000436661410 861885935 /nfs/dbraw/zinc/88/59/35/861885935.db2.gz GEWIYTBLCFODNS-UHFFFAOYSA-N -1 3 423.847 4.059 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)c1 ZINC000436666340 861887277 /nfs/dbraw/zinc/88/72/77/861887277.db2.gz SLCTYHREGWDOOH-LJQANCHMSA-N -1 3 419.481 4.097 20 0 HIADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436664183 861887784 /nfs/dbraw/zinc/88/77/84/861887784.db2.gz IETCIAAZZWNUIN-HNNXBMFYSA-N -1 3 423.538 4.130 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)c1 ZINC000436672696 861890201 /nfs/dbraw/zinc/89/02/01/861890201.db2.gz ZNKITDSAAFYJDZ-ZSEKCTLFSA-N -1 3 423.444 4.303 20 0 HIADHM CCc1ccc(-c2ccc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)o2)cc1 ZINC000436683335 861893706 /nfs/dbraw/zinc/89/37/06/861893706.db2.gz UCVSKQOTAVOHIE-UHFFFAOYSA-N -1 3 418.493 4.249 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCCC2=CCCCC2)CC1 ZINC000042836931 848358095 /nfs/dbraw/zinc/35/80/95/848358095.db2.gz VMGZVDAJPOQGQY-UHFFFAOYSA-N -1 3 405.926 4.296 20 0 HIADHM COc1cc(-c2nc(Cc3ccc(Br)cc3C)no2)cc(OC)c1[O-] ZINC000436691703 861894969 /nfs/dbraw/zinc/89/49/69/861894969.db2.gz VIIONMLZDLTWEJ-UHFFFAOYSA-N -1 3 405.248 4.121 20 0 HIADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000436698276 861896718 /nfs/dbraw/zinc/89/67/18/861896718.db2.gz XAJYDGWWEKKECC-UHFFFAOYSA-N -1 3 419.506 4.220 20 0 HIADHM CC(C)c1ccc(C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000436698933 861896796 /nfs/dbraw/zinc/89/67/96/861896796.db2.gz PRHOHRMDPOXQRB-KRWDZBQOSA-N -1 3 409.530 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CCc1cc(C)cc(CC)c1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436959861 862141261 /nfs/dbraw/zinc/14/12/61/862141261.db2.gz IRXONXZBRIRSAQ-UHFFFAOYSA-N -1 3 409.530 4.252 20 0 HIADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436970512 862148702 /nfs/dbraw/zinc/14/87/02/862148702.db2.gz MFCZSIHMFGGEJL-SFHVURJKSA-N -1 3 407.470 4.034 20 0 HIADHM CCNC(=O)Nc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436983659 862162507 /nfs/dbraw/zinc/16/25/07/862162507.db2.gz XVNIOADORHENOJ-UHFFFAOYSA-N -1 3 405.454 4.365 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cc3cccc(F)c3o2)c1 ZINC000436984809 862162700 /nfs/dbraw/zinc/16/27/00/862162700.db2.gz NLVFAYZANUZPFO-LLVKDONJSA-N -1 3 423.400 4.317 20 0 HIADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000436984685 862162834 /nfs/dbraw/zinc/16/28/34/862162834.db2.gz MOMZXCFBHKYQCI-UHFFFAOYSA-N -1 3 413.930 4.127 20 0 HIADHM CCCCOc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c([O-])c1 ZINC000436984264 862163058 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20 0 HIADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000059835932 851017510 /nfs/dbraw/zinc/01/75/10/851017510.db2.gz RVJIFZGIZHMKFB-UHFFFAOYSA-N -1 3 417.918 4.371 20 0 HIADHM CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000060358966 851077163 /nfs/dbraw/zinc/07/71/63/851077163.db2.gz OYGIQMAHLYXYIX-FQEVSTJZSA-N -1 3 424.541 4.360 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C3CCCCC3)c2)cc1 ZINC000061191576 851313580 /nfs/dbraw/zinc/31/35/80/851313580.db2.gz XPYWCRYTJPXTNC-UHFFFAOYSA-N -1 3 416.543 4.209 20 0 HIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CC2CCCCC2)ccc1F ZINC000061569823 851407088 /nfs/dbraw/zinc/40/70/88/851407088.db2.gz UMIFQWDSMRZOSZ-SFHVURJKSA-N -1 3 410.555 4.087 20 0 HIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)cc1 ZINC000063173154 851626954 /nfs/dbraw/zinc/62/69/54/851626954.db2.gz OQZBGTOIFCQETA-UHFFFAOYSA-N -1 3 416.543 4.179 20 0 HIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCC)ccc2C)cc1 ZINC000063176568 851627512 /nfs/dbraw/zinc/62/75/12/851627512.db2.gz KTRSPBVZULTAJD-UHFFFAOYSA-N -1 3 404.532 4.115 20 0 HIADHM COc1ccc(COc2cccc(F)c2)cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000063633796 851730550 /nfs/dbraw/zinc/73/05/50/851730550.db2.gz YEKVTGXMFQSPJG-DEDYPNTBSA-N -1 3 418.424 4.136 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3occc3COc3ccccc3)cc2)n1 ZINC000064342268 851875333 /nfs/dbraw/zinc/87/53/33/851875333.db2.gz KFQUACRCIDRNSY-UHFFFAOYSA-N -1 3 401.422 4.170 20 0 HIADHM CCCOCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000065578732 852189851 /nfs/dbraw/zinc/18/98/51/852189851.db2.gz KJGXWSAIPHUJEL-UHFFFAOYSA-N -1 3 417.314 4.159 20 0 HIADHM Cc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000065621528 852202161 /nfs/dbraw/zinc/20/21/61/852202161.db2.gz TWMXXVQAHWHGGK-UHFFFAOYSA-N -1 3 410.898 4.261 20 0 HIADHM COc1ccc2c(c1)oc(C(=O)[N-]NC(=O)c1ccccc1F)c2-c1ccccc1 ZINC000065620139 852202170 /nfs/dbraw/zinc/20/21/70/852202170.db2.gz WTPPBQIQILIXQS-UHFFFAOYSA-N -1 3 404.397 4.322 20 0 HIADHM CC1CCC(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000065691247 852220359 /nfs/dbraw/zinc/22/03/59/852220359.db2.gz PKRUYPQCHJAMHE-UHFFFAOYSA-N -1 3 404.507 4.183 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1OC ZINC000065789799 852257317 /nfs/dbraw/zinc/25/73/17/852257317.db2.gz XSFPSNAJWJZXSE-ZDUSSCGKSA-N -1 3 423.560 4.061 20 0 HIADHM COC(=O)c1sc2[n-]c(CSc3ncc(-c4ccccc4)o3)nc(=O)c2c1C ZINC000065848890 852283838 /nfs/dbraw/zinc/28/38/38/852283838.db2.gz WEOCIHVJBKBOQT-UHFFFAOYSA-N -1 3 413.480 4.027 20 0 HIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)ccc1F ZINC000065861461 852288284 /nfs/dbraw/zinc/28/82/84/852288284.db2.gz JSNMGHHHPLALPE-UHFFFAOYSA-N -1 3 406.523 4.087 20 0 HIADHM COc1cccc([C@@H](CNC(=O)c2ccccc2[O-])c2c[nH]c3ccccc32)c1OC ZINC000068788645 852372660 /nfs/dbraw/zinc/37/26/60/852372660.db2.gz DBIQZQJBVVQGGC-HXUWFJFHSA-N -1 3 416.477 4.453 20 0 HIADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1cccc(F)c1 ZINC000069090363 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ZINC000215694172 853836301 /nfs/dbraw/zinc/83/63/01/853836301.db2.gz FFLMIELSCQLWHO-UHFFFAOYSA-N -1 3 410.879 4.258 20 0 HIADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(Cl)c(Br)c1 ZINC000236172899 853898738 /nfs/dbraw/zinc/89/87/38/853898738.db2.gz CCUYLMITJZLQKZ-UHFFFAOYSA-N -1 3 400.603 4.321 20 0 HIADHM O=C([O-])CCCN1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000237956667 854125367 /nfs/dbraw/zinc/12/53/67/854125367.db2.gz PTYUUFBIDSDDMA-UHFFFAOYSA-N -1 3 423.376 4.160 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000437290215 862546055 /nfs/dbraw/zinc/54/60/55/862546055.db2.gz GUCUJRPXRWGRSJ-UWVGGRQHSA-N -1 3 420.316 4.466 20 0 HIADHM COc1cccc(C[C@H](C)NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1 ZINC000261455728 854269251 /nfs/dbraw/zinc/26/92/51/854269251.db2.gz KFGDWNZVTLBFEA-LBPRGKRZSA-N -1 3 415.287 4.073 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C(=O)N4CCCCC4)cc3)nc2)n1 ZINC000301161171 854316053 /nfs/dbraw/zinc/31/60/53/854316053.db2.gz FBAPWTARAKUASD-UHFFFAOYSA-N -1 3 417.513 4.045 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3cccc(N4CCCC4=O)c3)nc2)n1 ZINC000301184467 854323246 /nfs/dbraw/zinc/32/32/46/854323246.db2.gz SPDPFAMFXCQFMA-OAHLLOKOSA-N -1 3 403.486 4.107 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COc3cc(C)ccc3C)cc2)cc1 ZINC000301316284 854356521 /nfs/dbraw/zinc/35/65/21/854356521.db2.gz TYTWNPOQZQAWSD-UHFFFAOYSA-N -1 3 424.522 4.430 20 0 HIADHM CCCN(CCC)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1C ZINC000301323985 854359242 /nfs/dbraw/zinc/35/92/42/854359242.db2.gz CGBFDLGZQPPHRT-UHFFFAOYSA-N -1 3 418.559 4.457 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc2)n1 ZINC000301348613 854367517 /nfs/dbraw/zinc/36/75/17/854367517.db2.gz JLIUKAGVINKYHV-UHFFFAOYSA-N -1 3 413.522 4.054 20 0 HIADHM O=c1[n-]c(Sc2cc3c(cc2Cl)OCCO3)nc2c1cnn2-c1ccccc1 ZINC000301393167 854380788 /nfs/dbraw/zinc/38/07/88/854380788.db2.gz CDXKWGYIPKRFHR-UHFFFAOYSA-N -1 3 412.858 4.097 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)Cc3cc(C)nn3-c3ccccc3)nc2)n1 ZINC000301756480 854460449 /nfs/dbraw/zinc/46/04/49/854460449.db2.gz DRJFDGSXULTCJC-INIZCTEOSA-N -1 3 414.513 4.344 20 0 HIADHM CC(C)(C)n1ncc2c1ncnc2Sc1nnc([N-]c2ccccc2F)s1 ZINC000301894513 854487224 /nfs/dbraw/zinc/48/72/24/854487224.db2.gz PLMBLIMAGNPDDW-UHFFFAOYSA-N -1 3 401.496 4.467 20 0 HIADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC[C@H]1C1CCC1 ZINC000303212111 854819563 /nfs/dbraw/zinc/81/95/63/854819563.db2.gz RLKFWQPVGWPSQZ-FQEVSTJZSA-N -1 3 402.491 4.031 20 0 HIADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Br)s1 ZINC000437336387 862608722 /nfs/dbraw/zinc/60/87/22/862608722.db2.gz KBQLGBDULPZNRM-BDAKNGLRSA-N -1 3 406.289 4.158 20 0 HIADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000303382474 854901690 /nfs/dbraw/zinc/90/16/90/854901690.db2.gz LXOZMRSKNABSHP-UHFFFAOYSA-N -1 3 401.875 4.215 20 0 HIADHM CC(C)n1c2ccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cc2nc1C(F)(F)F ZINC000303600045 855070499 /nfs/dbraw/zinc/07/04/99/855070499.db2.gz JUXOEHGSVGIPHM-UHFFFAOYSA-N -1 3 406.290 4.025 20 0 HIADHM CC(C)n1c2ccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cc2nc1C(F)(F)F ZINC000303600045 855070503 /nfs/dbraw/zinc/07/05/03/855070503.db2.gz JUXOEHGSVGIPHM-UHFFFAOYSA-N -1 3 406.290 4.025 20 0 HIADHM CCc1cc2c(CN3CCC(C(F)(F)F)(C(F)(F)F)C3)cc(=O)oc2cc1[O-] ZINC000303646740 855102432 /nfs/dbraw/zinc/10/24/32/855102432.db2.gz CRJMORBXFYEBDP-UHFFFAOYSA-N -1 3 409.326 4.378 20 0 HIADHM O=S(=O)([N-]CCc1ccc(Cl)cc1)c1c(Cl)cccc1Br ZINC000314032560 855374569 /nfs/dbraw/zinc/37/45/69/855374569.db2.gz OLHLAOKAQOETET-UHFFFAOYSA-N -1 3 409.132 4.277 20 0 HIADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)c1 ZINC000323598301 855395797 /nfs/dbraw/zinc/39/57/97/855395797.db2.gz GXPDUOHUEWSWDL-UHFFFAOYSA-N -1 3 400.269 4.290 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3cc(Cl)cc(Cl)c3)cc2)n1 ZINC000409664497 855591532 /nfs/dbraw/zinc/59/15/32/855591532.db2.gz KRGAUVLSDKSYIW-UHFFFAOYSA-N -1 3 404.253 4.070 20 0 HIADHM O=S(=O)([N-]c1cc(F)c(Br)cc1Cl)c1cc(F)c(F)c(F)c1 ZINC000410395920 855971886 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CCOc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)cc(Br)c1OC ZINC000426696819 856418552 /nfs/dbraw/zinc/41/85/52/856418552.db2.gz QPAFZZLUDHHKBG-CQSZACIVSA-N -1 3 414.321 4.224 20 0 HIADHM COc1ccc(C(=O)Nc2cccc(CN[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])c2)cc1 ZINC000426714222 856429701 /nfs/dbraw/zinc/42/97/01/856429701.db2.gz BYCXEKGWBAYDDI-HXOBKFHXSA-N -1 3 418.493 4.499 20 0 HIADHM O=C([O-])[C@@H](Cc1c(F)cccc1Cl)NCc1ccc(F)cc1Br ZINC000426750585 856453688 /nfs/dbraw/zinc/45/36/88/856453688.db2.gz ONOJAANQTUSUSI-OAHLLOKOSA-N -1 3 404.638 4.166 20 0 HIADHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1cc(Cl)ccc1Br ZINC000426755543 856458577 /nfs/dbraw/zinc/45/85/77/856458577.db2.gz CYALFVPWNPDYBZ-QGZVFWFLSA-N -1 3 423.738 4.098 20 0 HIADHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(-c2ccc(Br)cc2)s1 ZINC000426758770 856461140 /nfs/dbraw/zinc/46/11/40/856461140.db2.gz UGRCESDCSMLOJS-KRWDZBQOSA-N -1 3 423.376 4.206 20 0 HIADHM O=C([O-])[C@@H](CSCCOc1ccccc1)NCc1cccc(Cl)c1Cl ZINC000426762673 856464746 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COc1ccc([C@@H](NCc2ccc(Br)c3cccnc23)C(=O)[O-])cc1F ZINC000426825317 856499555 /nfs/dbraw/zinc/49/95/55/856499555.db2.gz ATDOXXAQGMSQGJ-GOSISDBHSA-N -1 3 419.250 4.061 20 0 HIADHM COc1ccc([C@H](NCc2cccc(OCc3ccc(F)cc3)c2)C(=O)[O-])cc1F ZINC000426826683 856501098 /nfs/dbraw/zinc/50/10/98/856501098.db2.gz UEVYMGNJEAMKOD-QFIPXVFZSA-N -1 3 413.420 4.468 20 0 HIADHM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000437440115 862809821 /nfs/dbraw/zinc/80/98/21/862809821.db2.gz QVOBMHDYDLDVPP-WGSAOQKQSA-N -1 3 424.497 4.303 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CCC3CC3)c2)cc1 ZINC000437507296 862858209 /nfs/dbraw/zinc/85/82/09/862858209.db2.gz VOIJCSCJLYQDAI-UHFFFAOYSA-N -1 3 416.543 4.067 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCS[C@H](C)CC3)c2)cc1 ZINC000427925071 857009885 /nfs/dbraw/zinc/00/98/85/857009885.db2.gz SJNQGTVTDKZGAD-QGZVFWFLSA-N -1 3 418.584 4.072 20 0 HIADHM O=C(CCOc1ccc(Cl)cc1Br)NCc1ccc([O-])c(F)c1 ZINC000427956355 857022105 /nfs/dbraw/zinc/02/21/05/857022105.db2.gz NDAQTYJMBBPIMJ-UHFFFAOYSA-N -1 3 402.647 4.033 20 0 HIADHM Cn1c2cc([O-])c(NC(=O)c3c(F)cccc3Sc3ccccc3)cc2n(C)c1=O ZINC000427990518 857034171 /nfs/dbraw/zinc/03/41/71/857034171.db2.gz HVPSALYLJBZTOA-UHFFFAOYSA-N -1 3 423.469 4.125 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000428529972 857243626 /nfs/dbraw/zinc/24/36/26/857243626.db2.gz VXLQOVOEEMAKML-JOCHJYFZSA-N -1 3 416.525 4.000 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)nc2)n1 ZINC000428662548 857292423 /nfs/dbraw/zinc/29/24/23/857292423.db2.gz YWGLKJSFVXRUCG-HYBUGGRVSA-N -1 3 422.504 4.132 20 0 HIADHM CC1(C)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H](C(F)(F)F)O1 ZINC000428933384 857425274 /nfs/dbraw/zinc/42/52/74/857425274.db2.gz UMKUJMDQOUJGEZ-GFCCVEGCSA-N -1 3 413.421 4.199 20 0 HIADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1nc(C)cs1 ZINC000429836245 857903139 /nfs/dbraw/zinc/90/31/39/857903139.db2.gz HFDNSWRPNRFDPY-AWEZNQCLSA-N -1 3 423.785 4.471 20 0 HIADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1cc(Cl)ccc1Br ZINC000429840536 857905460 /nfs/dbraw/zinc/90/54/60/857905460.db2.gz OVFLUJHGWRLFJE-UHFFFAOYSA-N -1 3 411.708 4.129 20 0 HIADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(CN(C)Cc2cscn2)c1 ZINC000430365812 858135837 /nfs/dbraw/zinc/13/58/37/858135837.db2.gz GTEICOYOUZZHBM-UHFFFAOYSA-N -1 3 419.547 4.332 20 0 HIADHM CN(C)c1ccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)cn1 ZINC000430406406 858147732 /nfs/dbraw/zinc/14/77/32/858147732.db2.gz UEOYCSKOARTSLY-UHFFFAOYSA-N -1 3 400.438 4.034 20 0 HIADHM C[C@H](CCc1ccco1)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430417106 858151025 /nfs/dbraw/zinc/15/10/25/858151025.db2.gz TYAKKAQODFSKCP-SNVBAGLBSA-N -1 3 423.694 4.288 20 0 HIADHM CN(C)c1ccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)nc1 ZINC000430620104 858237965 /nfs/dbraw/zinc/23/79/65/858237965.db2.gz BUTDJSGUNQSCHY-UHFFFAOYSA-N -1 3 400.438 4.034 20 0 HIADHM C[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1(F)F ZINC000430622399 858239801 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20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1noc(Cc2ccccc2)n1 ZINC000431906395 858864587 /nfs/dbraw/zinc/86/45/87/858864587.db2.gz YGLQYVXMBSOJGD-LLVKDONJSA-N -1 3 412.298 4.007 20 0 HIADHM O=S(=O)([N-][C@H](c1ccccc1)C1(CO)CCC1)c1ccc(F)cc1C(F)(F)F ZINC000432307194 859096501 /nfs/dbraw/zinc/09/65/01/859096501.db2.gz PMCNIWBTNKGJTJ-QGZVFWFLSA-N -1 3 417.424 4.027 20 0 HIADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)cccc21 ZINC000432483709 859187816 /nfs/dbraw/zinc/18/78/16/859187816.db2.gz BMAGNGKXMWXGBL-HNNXBMFYSA-N -1 3 418.412 4.031 20 0 HIADHM Fc1ccccc1[N-]c1nnc(SCc2ncc(Br)s2)s1 ZINC000432540727 859217089 /nfs/dbraw/zinc/21/70/89/859217089.db2.gz FFWLXOUXLGBHNC-UHFFFAOYSA-N -1 3 403.327 4.932 20 0 HIADHM COC(=O)c1cnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)[n-]1 ZINC000432669084 859282634 /nfs/dbraw/zinc/28/26/34/859282634.db2.gz KZYPZYMLTLWRAV-UHFFFAOYSA-N -1 3 422.919 4.012 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)cc1C(C)C ZINC000432764412 859343954 /nfs/dbraw/zinc/34/39/54/859343954.db2.gz UTBXROXYBVTQAC-UHFFFAOYSA-N -1 3 401.488 4.286 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1C(C)C ZINC000432765739 859345176 /nfs/dbraw/zinc/34/51/76/859345176.db2.gz CXEXNXUNUXLRML-SANMLTNESA-N -1 3 409.573 4.115 20 0 HIADHM Cc1c([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cccc1NC(=O)c1ccccc1 ZINC000432770225 859350798 /nfs/dbraw/zinc/35/07/98/859350798.db2.gz GFTBSSLYQLGHCB-UHFFFAOYSA-N -1 3 409.511 4.114 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1C(C)C ZINC000432777832 859355257 /nfs/dbraw/zinc/35/52/57/859355257.db2.gz FFGAAUARWNCLJT-UHFFFAOYSA-N -1 3 419.547 4.458 20 0 HIADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccccc3C(C)(C)C)c2)[n-]1 ZINC000432908255 859423522 /nfs/dbraw/zinc/42/35/22/859423522.db2.gz ZZYALRLJMZBPFQ-UHFFFAOYSA-N -1 3 421.501 4.268 20 0 HIADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccccc3C(C)(C)C)c2)n[n-]1 ZINC000432908255 859423528 /nfs/dbraw/zinc/42/35/28/859423528.db2.gz ZZYALRLJMZBPFQ-UHFFFAOYSA-N -1 3 421.501 4.268 20 0 HIADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)cccc21 ZINC000433144812 859539115 /nfs/dbraw/zinc/53/91/15/859539115.db2.gz DJQBCTVKQIBBLU-QGZVFWFLSA-N -1 3 415.342 4.321 20 0 HIADHM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ncccc1Br ZINC000433400226 859678771 /nfs/dbraw/zinc/67/87/71/859678771.db2.gz MIKAZZOTPBGCHX-UHFFFAOYSA-N -1 3 420.126 4.024 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)c1Cl ZINC000433510032 859742876 /nfs/dbraw/zinc/74/28/76/859742876.db2.gz OVCSACFQGZOZAR-GFCCVEGCSA-N -1 3 410.388 4.025 20 0 HIADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C2CCCC2)c(C)o1 ZINC000467666891 881460835 /nfs/dbraw/zinc/46/08/35/881460835.db2.gz DRYVRTNNEWBBFL-LJQANCHMSA-N -1 3 424.950 4.153 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1cc(F)c(Cl)cc1F ZINC000434292531 860257952 /nfs/dbraw/zinc/25/79/52/860257952.db2.gz LXMYHQVLSHVECR-UHFFFAOYSA-N -1 3 405.626 4.086 20 0 HIADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)cccc21)c1cc(F)ccc1Br ZINC000435209559 860695558 /nfs/dbraw/zinc/69/55/58/860695558.db2.gz XHWPGNRTTZOVRH-ZDUSSCGKSA-N -1 3 420.687 4.044 20 0 HIADHM O=S(=O)([N-][C@H]1CCSc2c(F)cccc21)c1cc(F)ccc1Br ZINC000435221948 860698442 /nfs/dbraw/zinc/69/84/42/860698442.db2.gz FKEVWLVXMSXCGV-ZDUSSCGKSA-N -1 3 420.300 4.243 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(NC(=O)N(C)C)ccc2C)cc1C(C)C ZINC000435492186 860819910 /nfs/dbraw/zinc/81/99/10/860819910.db2.gz VYIROTOEINYSKM-UHFFFAOYSA-N -1 3 419.547 4.330 20 0 HIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000435601633 860905506 /nfs/dbraw/zinc/90/55/06/860905506.db2.gz OXXJNJXARZMWIL-CABCVRRESA-N -1 3 411.401 4.316 20 0 HIADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(Cl)cc(Br)c2F)c1 ZINC000435638016 860928987 /nfs/dbraw/zinc/92/89/87/860928987.db2.gz SOMIJHFAEOOEOA-UHFFFAOYSA-N -1 3 424.650 4.037 20 0 HIADHM CSc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000435689195 860969193 /nfs/dbraw/zinc/96/91/93/860969193.db2.gz XNKBHHPBFBRTMC-UHFFFAOYSA-N -1 3 404.435 4.051 20 0 HIADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1n1cccn1)c1ccc(Cl)cc1C(F)(F)F ZINC000467789450 881611015 /nfs/dbraw/zinc/61/10/15/881611015.db2.gz QPIXSVPPIVAUHV-KBPBESRZSA-N -1 3 407.845 4.018 20 0 HIADHM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000467790518 881614627 /nfs/dbraw/zinc/61/46/27/881614627.db2.gz UYCAAASZKVRNJH-CJNGLKHVSA-N -1 3 416.362 4.018 20 0 HIADHM O=C([N-]c1nc(Sc2ccccc2)ns1)c1ncccc1OCC(F)(F)F ZINC000438350965 863819237 /nfs/dbraw/zinc/81/92/37/863819237.db2.gz ZJRMSGLGPBEDKA-UHFFFAOYSA-N -1 3 412.418 4.278 20 0 HIADHM Cc1nc(C)c(CCC(=O)N2C[C@@H](C)N(Cc3ccccc3)c3ccccc32)c(=O)[n-]1 ZINC000438596475 864024139 /nfs/dbraw/zinc/02/41/39/864024139.db2.gz KTWAZSKXGGQDSM-QGZVFWFLSA-N -1 3 416.525 4.174 20 0 HIADHM CC(C)[C@H](CC(F)(F)F)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000438621199 864046933 /nfs/dbraw/zinc/04/69/33/864046933.db2.gz OSMPLXTXHAZKPB-MOPGFXCFSA-N -1 3 422.447 4.347 20 0 HIADHM CC(C)[C@@H](CC(F)(F)F)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000438621202 864047453 /nfs/dbraw/zinc/04/74/53/864047453.db2.gz OSMPLXTXHAZKPB-RTBURBONSA-N -1 3 422.447 4.347 20 0 HIADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(-c2nc(CC3CC3)no2)c(Cl)cc1Cl ZINC000438825986 864320179 /nfs/dbraw/zinc/32/01/79/864320179.db2.gz XWKSQNVYWBZABS-JTQLQIEISA-N -1 3 418.346 4.463 20 0 HIADHM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000438837411 864331108 /nfs/dbraw/zinc/33/11/08/864331108.db2.gz IOTAFWLBIDJVTH-UHFFFAOYSA-N -1 3 416.543 4.031 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)c1noc(Cc2ccccc2)n1 ZINC000438941221 864416194 /nfs/dbraw/zinc/41/61/94/864416194.db2.gz FAKVDEGMJWIOOB-CYBMUJFWSA-N -1 3 405.545 4.059 20 0 HIADHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)nc1C ZINC000438954048 864425068 /nfs/dbraw/zinc/42/50/68/864425068.db2.gz IGSTWTVZCKUJLV-LLVKDONJSA-N -1 3 416.590 4.027 20 0 HIADHM O=C(NCc1ncccc1[O-])Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000467906281 881769837 /nfs/dbraw/zinc/76/98/37/881769837.db2.gz 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Cc1ccc(C)c(Sc2ccc(NC(=O)Cn3cc(Cl)c(=O)[n-]c3=O)cc2)c1 ZINC000468069518 881885709 /nfs/dbraw/zinc/88/57/09/881885709.db2.gz DNVLVXSXHRBFOK-UHFFFAOYSA-N -1 3 415.902 4.009 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)c1 ZINC000440397453 865688656 /nfs/dbraw/zinc/68/86/56/865688656.db2.gz INKJJTFBVPGKKH-UHFFFAOYSA-N -1 3 424.419 4.477 20 0 HIADHM O=C(CNC(=O)c1ccccc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440952373 866044033 /nfs/dbraw/zinc/04/40/33/866044033.db2.gz OYVGTBYPZBIECR-UHFFFAOYSA-N -1 3 403.463 4.037 20 0 HIADHM Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)C2)cc1 ZINC000440988654 866067997 /nfs/dbraw/zinc/06/79/97/866067997.db2.gz ZQDKPTCEJCBGEI-HNNXBMFYSA-N -1 3 406.404 4.210 20 0 HIADHM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)C2)cc1 ZINC000440988656 866068431 /nfs/dbraw/zinc/06/84/31/866068431.db2.gz ZQDKPTCEJCBGEI-OAHLLOKOSA-N -1 3 406.404 4.210 20 0 HIADHM C[C@@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 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3 406.935 4.164 20 0 HIADHM Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000443038914 867799258 /nfs/dbraw/zinc/79/92/58/867799258.db2.gz RDTYEWPYJUVYIK-UHFFFAOYSA-N -1 3 403.438 4.275 20 0 HIADHM COc1cccc(C[C@H](O)C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000443071090 867810278 /nfs/dbraw/zinc/81/02/78/867810278.db2.gz ZYTWDDDMUTXDTA-FQEVSTJZSA-N -1 3 420.490 4.220 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccsc2)cc1 ZINC000443415349 867999785 /nfs/dbraw/zinc/99/97/85/867999785.db2.gz KWNHCSPKDDGQRR-UHFFFAOYSA-N -1 3 416.524 4.183 20 0 HIADHM Cc1ccc(C(C)C)c(OCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000443742819 868319152 /nfs/dbraw/zinc/31/91/52/868319152.db2.gz BABOMPNBPQHREV-UHFFFAOYSA-N -1 3 424.541 4.014 20 0 HIADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)c2ccccc21)C(F)(F)F ZINC000443933641 868471961 /nfs/dbraw/zinc/47/19/61/868471961.db2.gz HRPCPTYUILBMNA-APPDUMDISA-N -1 3 402.438 4.054 20 0 HIADHM COCc1ccccc1S(=O)(=O)[N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 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O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000445789307 869825559 /nfs/dbraw/zinc/82/55/59/869825559.db2.gz FVIAUHJRLSKHOQ-UHFFFAOYSA-N -1 3 402.439 4.231 20 0 HIADHM O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000446230326 870168759 /nfs/dbraw/zinc/16/87/59/870168759.db2.gz ZIPBOYKGWSMQGT-MRXNPFEDSA-N -1 3 414.868 4.081 20 0 HIADHM Cc1ncc(CNC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000446425196 870339473 /nfs/dbraw/zinc/33/94/73/870339473.db2.gz JATIYFVDSPPRQU-UHFFFAOYSA-N -1 3 403.866 4.364 20 0 HIADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000447157267 871055266 /nfs/dbraw/zinc/05/52/66/871055266.db2.gz CNVAORXZFAXYEG-JTQLQIEISA-N -1 3 411.936 4.416 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)c(C)c2)cc1OC ZINC000447262019 871141679 /nfs/dbraw/zinc/14/16/79/871141679.db2.gz BZMLUZWVECQBSP-UHFFFAOYSA-N -1 3 400.456 4.000 20 0 HIADHM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)cc2N1 ZINC000447338461 871232799 /nfs/dbraw/zinc/23/27/99/871232799.db2.gz RFLHNTBIWWFBOO-UHFFFAOYSA-N -1 3 404.850 4.318 20 0 HIADHM Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000447636124 871551924 /nfs/dbraw/zinc/55/19/24/871551924.db2.gz GJPXZSMUGLRKBG-UHFFFAOYSA-N -1 3 407.495 4.387 20 0 HIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000448149591 872026224 /nfs/dbraw/zinc/02/62/24/872026224.db2.gz YAXFQVYLQAZXHK-MRXNPFEDSA-N -1 3 422.298 4.080 20 0 HIADHM Cc1sccc1CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000468560187 882612554 /nfs/dbraw/zinc/61/25/54/882612554.db2.gz MKANJGYJBBLAQG-UHFFFAOYSA-N -1 3 400.525 4.347 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1OCC(F)(F)F ZINC000460412182 873065765 /nfs/dbraw/zinc/06/57/65/873065765.db2.gz NLVCQNARXWEKHT-UHFFFAOYSA-N -1 3 407.385 4.193 20 0 HIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000468623545 882747912 /nfs/dbraw/zinc/74/79/12/882747912.db2.gz UCHWEAIBRUGQAO-UHFFFAOYSA-N -1 3 417.690 4.143 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3[C@@H](C)C3(F)F)ccc2C)cc1 ZINC000460995775 873877800 /nfs/dbraw/zinc/87/78/00/873877800.db2.gz ZHCOEZQLDKHRMZ-ACJLOTCBSA-N -1 3 424.469 4.034 20 0 HIADHM COc1cc(Br)c(S(=O)(=O)[N-]c2c(C)cccc2Cl)cc1OC ZINC000461127245 874058427 /nfs/dbraw/zinc/05/84/27/874058427.db2.gz KJILFOBJXNMELV-UHFFFAOYSA-N -1 3 420.712 4.229 20 0 HIADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000461336406 874346385 /nfs/dbraw/zinc/34/63/85/874346385.db2.gz WWIRMAHNRQGFFF-XYJFISCASA-N -1 3 416.518 4.325 20 0 HIADHM COc1cc(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc(OC)c1[O-] ZINC000468729800 882832139 /nfs/dbraw/zinc/83/21/39/882832139.db2.gz SFLQFEINAQEQNU-HNNXBMFYSA-N -1 3 424.522 4.068 20 0 HIADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000461499555 874571442 /nfs/dbraw/zinc/57/14/42/874571442.db2.gz WAHLBLQSURAXFA-MGPUTAFESA-N -1 3 402.491 4.031 20 0 HIADHM Cn1c2cc([O-])c(NC(=O)C(C)(C)c3ccc(-c4ccccc4)cc3)cc2n(C)c1=O 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OCAGVBLWTTUNCR-LSDHHAIUSA-N -1 3 416.362 4.018 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000462247933 875366075 /nfs/dbraw/zinc/36/60/75/875366075.db2.gz PUBOKJZJOWEOPR-PZJWPPBQSA-N -1 3 404.470 4.199 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000462247934 875366177 /nfs/dbraw/zinc/36/61/77/875366177.db2.gz PUBOKJZJOWEOPR-TZIWHRDSSA-N -1 3 404.470 4.199 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000462247932 875366949 /nfs/dbraw/zinc/36/69/49/875366949.db2.gz PUBOKJZJOWEOPR-FPOVZHCZSA-N -1 3 404.470 4.199 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)C(C)C)c(Br)c1 ZINC000462348999 875463722 /nfs/dbraw/zinc/46/37/22/875463722.db2.gz PWXNPEFYJFMBFZ-JTQLQIEISA-N -1 3 413.175 4.090 20 0 HIADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1nc(C)cs1 ZINC000462329035 875446233 /nfs/dbraw/zinc/44/62/33/875446233.db2.gz WUOZWFIFLRAKJC-AWEZNQCLSA-N -1 3 423.785 4.471 20 0 HIADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)ccc1C ZINC000462365911 875477630 /nfs/dbraw/zinc/47/76/30/875477630.db2.gz NZUUGGUKSGEKPF-INIZCTEOSA-N -1 3 415.559 4.114 20 0 HIADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)cc1 ZINC000462380123 875493229 /nfs/dbraw/zinc/49/32/29/875493229.db2.gz MQVJITLBXRAURT-INIZCTEOSA-N -1 3 415.559 4.196 20 0 HIADHM CO[C@@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)c1ccc(Cl)cc1 ZINC000462410320 875516691 /nfs/dbraw/zinc/51/66/91/875516691.db2.gz OHSVGYYGMISFOF-ZDUSSCGKSA-N -1 3 424.769 4.138 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)s1 ZINC000462461180 875568414 /nfs/dbraw/zinc/56/84/14/875568414.db2.gz WKTPNSGRBNTVDC-GFCCVEGCSA-N -1 3 422.366 4.474 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(c3ccccc3)CCC2)s1 ZINC000462466725 875572843 /nfs/dbraw/zinc/57/28/43/875572843.db2.gz RGGXZLBNMGAANO-UHFFFAOYSA-N -1 3 400.363 4.219 20 0 HIADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(C(F)(F)F)ccc1F ZINC000462673333 875770800 /nfs/dbraw/zinc/77/08/00/875770800.db2.gz FQMLNPKDQCKDQN-ZBFHGGJFSA-N -1 3 403.397 4.043 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)s1 ZINC000462688319 875780340 /nfs/dbraw/zinc/78/03/40/875780340.db2.gz WKQDHHRQFMWFJR-HIFRSBDPSA-N -1 3 416.362 4.018 20 0 HIADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Oc1ccccc1Cl ZINC000462713046 875794316 /nfs/dbraw/zinc/79/43/16/875794316.db2.gz WWNYSJFSALUCGI-JTQLQIEISA-N -1 3 411.804 4.244 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)CC(=O)c3ccccc3F)c2)n1 ZINC000463116023 876156577 /nfs/dbraw/zinc/15/65/77/876156577.db2.gz AUFXOWNYYBYVAO-AWEZNQCLSA-N -1 3 407.445 4.398 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)CC(=O)c3ccccc3F)c2)n1 ZINC000463116024 876156702 /nfs/dbraw/zinc/15/67/02/876156702.db2.gz AUFXOWNYYBYVAO-CQSZACIVSA-N -1 3 407.445 4.398 20 0 HIADHM COC(=O)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Cl)c(F)c1 ZINC000468943285 883009876 /nfs/dbraw/zinc/00/98/76/883009876.db2.gz LDHIBFUXJHKUJD-KRWDZBQOSA-N -1 3 411.832 4.067 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2C)cc1 ZINC000463242005 876298285 /nfs/dbraw/zinc/29/82/85/876298285.db2.gz JHHDSQHQNZNQQY-UHFFFAOYSA-N -1 3 416.421 4.085 20 0 HIADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1nc2ccccc2n1C(F)F ZINC000463687766 876808459 /nfs/dbraw/zinc/80/84/59/876808459.db2.gz IYZQIBYKOGRCHB-VIFPVBQESA-N -1 3 403.813 4.263 20 0 HIADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cc4c(C(C)C)nn(C)c4s3)s2)cc1 ZINC000463766251 876887602 /nfs/dbraw/zinc/88/76/02/876887602.db2.gz JCASGDZCIPNOBT-UHFFFAOYSA-N -1 3 411.556 4.761 20 0 HIADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000464188737 877359400 /nfs/dbraw/zinc/35/94/00/877359400.db2.gz PTZORFJAODMRDH-XJKSGUPXSA-N -1 3 421.390 4.089 20 0 HIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000464281318 877469328 /nfs/dbraw/zinc/46/93/28/877469328.db2.gz SZHVXEJEQLCHJN-VFNWGFHPSA-N -1 3 420.488 4.234 20 0 HIADHM CN(CCc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000464357619 877552781 /nfs/dbraw/zinc/55/27/81/877552781.db2.gz ULDGIZPCWSQCCM-UHFFFAOYSA-N -1 3 418.515 4.003 20 0 HIADHM Cc1nc(C)c(CC(=O)NC2(c3cccc(Br)c3)CCCCC2)c(=O)[n-]1 ZINC000464407870 877611146 /nfs/dbraw/zinc/61/11/46/877611146.db2.gz BUHVJEMYZXNUGX-UHFFFAOYSA-N -1 3 418.335 4.080 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCCCC4)cc2)cc1C ZINC000464421231 877630276 /nfs/dbraw/zinc/63/02/76/877630276.db2.gz LFFKOAFUZNSYBR-UHFFFAOYSA-N -1 3 410.543 4.013 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCC2(C1)CCCCCC2 ZINC000464661142 877882499 /nfs/dbraw/zinc/88/24/99/877882499.db2.gz DKWYZZPTKUEKNM-UHFFFAOYSA-N -1 3 408.546 4.036 20 0 HIADHM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c(C)c1O ZINC000503319320 912298210 /nfs/dbraw/zinc/29/82/10/912298210.db2.gz NUMUWJJZCCGHIJ-UHFFFAOYSA-N -1 3 414.458 4.201 20 0 HIADHM CCC1(C(=O)NCc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)CCCC1 ZINC000464966074 878305631 /nfs/dbraw/zinc/30/56/31/878305631.db2.gz VZDYSVGLCCKUHI-UHFFFAOYSA-N -1 3 416.543 4.083 20 0 HIADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000465295196 878736413 /nfs/dbraw/zinc/73/64/13/878736413.db2.gz LVYFRLWBWZMKDI-MAUKXSAKSA-N -1 3 416.543 4.065 20 0 HIADHM CO[C@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1cccc(Cl)c1 ZINC000466357773 880115126 /nfs/dbraw/zinc/11/51/26/880115126.db2.gz QBGJWHIIYPJDQE-LJQANCHMSA-N -1 3 412.877 4.320 20 0 HIADHM CO[C@@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1cccc(Cl)c1 ZINC000466357772 880115497 /nfs/dbraw/zinc/11/54/97/880115497.db2.gz QBGJWHIIYPJDQE-IBGZPJMESA-N -1 3 412.877 4.320 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnc(C)nc3C3CC3)cc2)cc1 ZINC000466942612 880714784 /nfs/dbraw/zinc/71/47/84/880714784.db2.gz KPVUCDYIAASXAY-UHFFFAOYSA-N -1 3 422.510 4.024 20 0 HIADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)cc1 ZINC000466966857 880763840 /nfs/dbraw/zinc/76/38/40/880763840.db2.gz JSVWXEIZZMBNRH-HZPDHXFCSA-N -1 3 423.506 4.219 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)nc21 ZINC000503590299 912678642 /nfs/dbraw/zinc/67/86/42/912678642.db2.gz IPUIZKLOXNUUGW-ZDUSSCGKSA-N -1 3 403.438 4.254 20 0 HIADHM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)CCCc2ccc([O-])c(F)c2)c1C ZINC000469107989 883199809 /nfs/dbraw/zinc/19/98/09/883199809.db2.gz KBOCJBVCTYVHJL-LJQANCHMSA-N -1 3 416.518 4.011 20 0 HIADHM COc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1NC(=O)c1cccnc1 ZINC000469194126 883294260 /nfs/dbraw/zinc/29/42/60/883294260.db2.gz RXFZFVOSYHMEFO-UHFFFAOYSA-N -1 3 423.444 4.149 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000469198849 883299788 /nfs/dbraw/zinc/29/97/88/883299788.db2.gz NRJYYRJYDLHOAS-GOSISDBHSA-N -1 3 424.472 4.021 20 0 HIADHM CCCN(CC(F)F)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469635325 883843354 /nfs/dbraw/zinc/84/33/54/883843354.db2.gz YEDKXBAWKWLFDW-UHFFFAOYSA-N -1 3 407.642 4.061 20 0 HIADHM CCN(CC)c1ccc(-c2nnc(S[C@H](C)c3nc(C)cc(=O)[n-]3)n2CC)cc1 ZINC000469804478 883977648 /nfs/dbraw/zinc/97/76/48/883977648.db2.gz OOUMWSFEWLZXTQ-OAHLLOKOSA-N -1 3 412.563 4.469 20 0 HIADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cnc(Oc3ccccc3)cn2)s1 ZINC000469897803 884089149 /nfs/dbraw/zinc/08/91/49/884089149.db2.gz NVTKHJJVZZWCGP-UHFFFAOYSA-N -1 3 407.430 4.487 20 0 HIADHM CCCOc1c(Cl)cc(-c2nc3cc(OC)cc(OC)c3c(=O)[n-]2)cc1OC ZINC000469982004 884196155 /nfs/dbraw/zinc/19/61/55/884196155.db2.gz KQVLZRVHCLRUPJ-UHFFFAOYSA-N -1 3 404.850 4.470 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 ZINC000503833723 912835898 /nfs/dbraw/zinc/83/58/98/912835898.db2.gz XGWRFMQIINJLCM-HXUWFJFHSA-N -1 3 409.873 4.113 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)O[C@H](c4ccsc4)C3)cc2)cc(=O)[n-]1 ZINC000470456211 884851401 /nfs/dbraw/zinc/85/14/01/884851401.db2.gz NEGSXTXVNLYGSU-YJYMSZOUSA-N -1 3 410.499 4.213 20 0 HIADHM Cc1cccc(-n2cc(C(=O)[N-]c3nnc(-c4ccc(Cl)cc4F)s3)nn2)c1 ZINC000470637423 885064300 /nfs/dbraw/zinc/06/43/00/885064300.db2.gz QNOUWGXIRWDVKZ-UHFFFAOYSA-N -1 3 414.853 4.139 20 0 HIADHM Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NCc1ncccc1[O-] ZINC000470641920 885065755 /nfs/dbraw/zinc/06/57/55/885065755.db2.gz PLHIBFWAIKBEQR-UHFFFAOYSA-N -1 3 410.861 4.323 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)c2cccnc2)cc1 ZINC000470824029 885313465 /nfs/dbraw/zinc/31/34/65/885313465.db2.gz DHWVRITZPNZFOQ-QGZVFWFLSA-N -1 3 409.511 4.241 20 0 HIADHM CCC1(CC)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)C1 ZINC000504038311 912944650 /nfs/dbraw/zinc/94/46/50/912944650.db2.gz XFUCRSBQIHINBQ-UHFFFAOYSA-N -1 3 404.507 4.197 20 0 HIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C)n(-c3c(F)cccc3F)n2)c(F)c1F ZINC000471230315 885804676 /nfs/dbraw/zinc/80/46/76/885804676.db2.gz OOEVWGOHRYVNBC-UHFFFAOYSA-N -1 3 409.314 4.331 20 0 HIADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3oc4ccc(F)cc4c3C)o2)cs1 ZINC000471301308 885889807 /nfs/dbraw/zinc/88/98/07/885889807.db2.gz PQGAVKFZPVRMPJ-UHFFFAOYSA-N -1 3 406.460 4.384 20 0 HIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CCOCC1 ZINC000471310146 885899251 /nfs/dbraw/zinc/89/92/51/885899251.db2.gz LUHFCBLLHIZGAK-UHFFFAOYSA-N -1 3 421.465 4.046 20 0 HIADHM COc1cccc(-c2nc(C(=O)[N-]c3ncc(Cc4ccccc4F)s3)no2)c1 ZINC000471336105 885939942 /nfs/dbraw/zinc/93/99/42/885939942.db2.gz LUQLYAHNTKRQGM-UHFFFAOYSA-N -1 3 410.430 4.184 20 0 HIADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)n1 ZINC000471619611 886337055 /nfs/dbraw/zinc/33/70/55/886337055.db2.gz GMKHGWOHVHMENC-ZETCQYMHSA-N -1 3 413.721 4.046 20 0 HIADHM Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NCc1ncccc1[O-] ZINC000471824353 886571213 /nfs/dbraw/zinc/57/12/13/886571213.db2.gz HMZKYRNHDWQGHV-GFCCVEGCSA-N -1 3 402.907 4.433 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1noc(-c2ccccc2)n1 ZINC000471888413 886670111 /nfs/dbraw/zinc/67/01/11/886670111.db2.gz QDQNSEMJFGNRQM-LLVKDONJSA-N -1 3 412.298 4.224 20 0 HIADHM CC[C@@H](C(=O)N1CCC(NC(=O)c2cc([O-])c3ccccc3c2)CC1)c1ccccc1 ZINC000471960969 886783082 /nfs/dbraw/zinc/78/30/82/886783082.db2.gz 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Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCc3ncccc3[O-])cc12 ZINC000473628595 888368024 /nfs/dbraw/zinc/36/80/24/888368024.db2.gz FMGQRHFJOGELFR-UHFFFAOYSA-N -1 3 412.902 4.139 20 0 HIADHM Cc1ccc(-c2cc(C(=O)NCc3ncccc3[O-])c3cnn(C(C)C)c3n2)s1 ZINC000473636959 888378256 /nfs/dbraw/zinc/37/82/56/888378256.db2.gz HQEIQTBROVZNMM-UHFFFAOYSA-N -1 3 407.499 4.080 20 0 HIADHM O=C(NCc1ncccc1[O-])c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000473638249 888381720 /nfs/dbraw/zinc/38/17/20/888381720.db2.gz MFXFJDGZPFMAIL-UHFFFAOYSA-N -1 3 416.264 4.276 20 0 HIADHM Cc1ccsc1-c1nc(=NC(=O)NC[C@H](c2cccs2)N2CCCC2)s[n-]1 ZINC000473823678 888655243 /nfs/dbraw/zinc/65/52/43/888655243.db2.gz MFNRCTQLAIMQMO-CYBMUJFWSA-N -1 3 419.601 4.017 20 0 HIADHM Cc1cc(S(=O)(=O)[N-][C@H](c2nccn2C)c2ccc(Cl)cc2)sc1Cl ZINC000473913936 888793552 /nfs/dbraw/zinc/79/35/52/888793552.db2.gz TZGNBGGUZWQXEJ-AWEZNQCLSA-N -1 3 416.355 4.165 20 0 HIADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)sc1Cl ZINC000473936864 888814656 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HIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC(C)(C)CF)ccc2C)c(C)c1 ZINC000474772334 889630499 /nfs/dbraw/zinc/63/04/99/889630499.db2.gz XLBYZJCYBISWKX-UHFFFAOYSA-N -1 3 406.523 4.199 20 0 HIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000474833941 889692886 /nfs/dbraw/zinc/69/28/86/889692886.db2.gz OBQPQXZBQSDWMW-UHFFFAOYSA-N -1 3 403.895 4.212 20 0 HIADHM COc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(OCC(C)C)c1 ZINC000475254796 890142804 /nfs/dbraw/zinc/14/28/04/890142804.db2.gz KITIZUZFHOPGTK-UHFFFAOYSA-N -1 3 407.470 4.041 20 0 HIADHM Cc1ccc(Cl)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000475478798 890385615 /nfs/dbraw/zinc/38/56/15/890385615.db2.gz PLYOHTQOSUSMRY-UHFFFAOYSA-N -1 3 407.854 4.169 20 0 HIADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)c1 ZINC000475810279 890744277 /nfs/dbraw/zinc/74/42/77/890744277.db2.gz BCBPKRXUTXDELG-UHFFFAOYSA-N -1 3 416.282 4.174 20 0 HIADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000475830573 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HIADHM O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476970489 891899059 /nfs/dbraw/zinc/89/90/59/891899059.db2.gz MIUCWUIPHMBVNE-UHFFFAOYSA-N -1 3 417.362 4.206 20 0 HIADHM O=C(Nc1scnc1C1CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000477029952 891954159 /nfs/dbraw/zinc/95/41/59/891954159.db2.gz CUZYHMXSALKNPF-UHFFFAOYSA-N -1 3 417.487 4.213 20 0 HIADHM Cc1ccc(-c2nsc([N-]C(=O)c3nnn(-c4ccccc4Cl)c3C)n2)s1 ZINC000504906164 913638015 /nfs/dbraw/zinc/63/80/15/913638015.db2.gz UKDWLWTZHGOCRH-UHFFFAOYSA-N -1 3 416.919 4.370 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](Nc4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000477342695 892310688 /nfs/dbraw/zinc/31/06/88/892310688.db2.gz QJTXXBDRICYPJV-HXUWFJFHSA-N -1 3 403.486 4.266 20 0 HIADHM Cc1ccc(C(=O)N2CCC23CCC3)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000477368613 892331961 /nfs/dbraw/zinc/33/19/61/892331961.db2.gz XDKUNMVFMGJQHU-UHFFFAOYSA-N -1 3 422.909 4.357 20 0 HIADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000477519324 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Cc1occc1C(=O)Nc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1F ZINC000479884850 895230417 /nfs/dbraw/zinc/23/04/17/895230417.db2.gz LKPOZNDOGLUMRR-UHFFFAOYSA-N -1 3 405.385 4.073 20 0 HIADHM CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)cc1 ZINC000479976238 895329564 /nfs/dbraw/zinc/32/95/64/895329564.db2.gz FSNVPWDUADXWQS-UHFFFAOYSA-N -1 3 416.521 4.462 20 0 HIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000480457496 895843374 /nfs/dbraw/zinc/84/33/74/895843374.db2.gz BFJSYIYNKUSYKO-OALUTQOASA-N -1 3 400.438 4.386 20 0 HIADHM O=c1[n-]c(CSc2nnc(-c3cccnc3)n2C2CC2)nc2c3ccccc3oc21 ZINC000480761025 896121662 /nfs/dbraw/zinc/12/16/62/896121662.db2.gz JINHCSSJULMANN-UHFFFAOYSA-N -1 3 416.466 4.362 20 0 HIADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)C1 ZINC000480813210 896184211 /nfs/dbraw/zinc/18/42/11/896184211.db2.gz PFIDIMRFTWORKK-IUODEOHRSA-N -1 3 411.428 4.241 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cc1OC ZINC000480821508 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400.544 4.218 20 0 HIADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000481873418 897245266 /nfs/dbraw/zinc/24/52/66/897245266.db2.gz QZOWBBBIWGXLSI-QMMMGPOBSA-N -1 3 420.229 4.273 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000481924228 897307929 /nfs/dbraw/zinc/30/79/29/897307929.db2.gz QLSNDSXIZBUAOT-UHFFFAOYSA-N -1 3 422.219 4.184 20 0 HIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c2ccccc12 ZINC000481946387 897334501 /nfs/dbraw/zinc/33/45/01/897334501.db2.gz WOYIDCGDJJQORA-UHFFFAOYSA-N -1 3 411.527 4.282 20 0 HIADHM CCOc1ccccc1Oc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000482142607 897602242 /nfs/dbraw/zinc/60/22/42/897602242.db2.gz XIOUMNKNXJSHRX-UHFFFAOYSA-N -1 3 401.426 4.310 20 0 HIADHM CCOc1ccccc1Oc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000482142607 897602251 /nfs/dbraw/zinc/60/22/51/897602251.db2.gz XIOUMNKNXJSHRX-UHFFFAOYSA-N -1 3 401.426 4.310 20 0 HIADHM Cc1ccccc1COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000482172920 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20 0 HIADHM Cc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)c(OCC2CC2)c1 ZINC000482620792 898223317 /nfs/dbraw/zinc/22/33/17/898223317.db2.gz DMAZAMYKDPMISV-UHFFFAOYSA-N -1 3 419.319 4.251 20 0 HIADHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Oc1ccccc1Cl ZINC000482624714 898227533 /nfs/dbraw/zinc/22/75/33/898227533.db2.gz WFBZFNFWNZGNAL-LLVKDONJSA-N -1 3 413.699 4.075 20 0 HIADHM CCCc1ccc([C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c2cccs2)cc1 ZINC000482669245 898271241 /nfs/dbraw/zinc/27/12/41/898271241.db2.gz XSPMOCSWLMUSSX-MRXNPFEDSA-N -1 3 423.464 4.426 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(OCC(F)(F)F)cc1 ZINC000482718482 898319560 /nfs/dbraw/zinc/31/95/60/898319560.db2.gz DHDCVWYJOGJRMC-UHFFFAOYSA-N -1 3 419.197 4.418 20 0 HIADHM Cc1ccc2c(c1)CN(C(=O)c1c[n-]c3c(Cl)cc(Br)cc3c1=O)C2 ZINC000482845568 898456333 /nfs/dbraw/zinc/45/63/33/898456333.db2.gz QVAQWYPCHFBPHU-UHFFFAOYSA-N -1 3 417.690 4.408 20 0 HIADHM CCC[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000482921697 898540124 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ZINC000490422333 903998890 /nfs/dbraw/zinc/99/88/90/903998890.db2.gz ODPXAKNAQUWHPL-UHFFFAOYSA-N -1 3 415.421 4.292 20 0 HIADHM Cc1nc(S(=O)(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[n-]c1-c1ccccc1 ZINC000490425187 904002470 /nfs/dbraw/zinc/00/24/70/904002470.db2.gz XIJWLGNJBDGCJM-UHFFFAOYSA-N -1 3 421.309 4.314 20 0 HIADHM Cc1[n-]c(S(=O)(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)nc1-c1ccccc1 ZINC000490425187 904002485 /nfs/dbraw/zinc/00/24/85/904002485.db2.gz XIJWLGNJBDGCJM-UHFFFAOYSA-N -1 3 421.309 4.314 20 0 HIADHM CC[C@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)Oc1cccc(C)c1 ZINC000490469756 904026092 /nfs/dbraw/zinc/02/60/92/904026092.db2.gz JAVFMFFVMFVRLK-LJQANCHMSA-N -1 3 406.486 4.445 20 0 HIADHM CCSc1nnc([N-]C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)s1 ZINC000491551530 904645776 /nfs/dbraw/zinc/64/57/76/904645776.db2.gz UYWHOBVQIWBLPK-UHFFFAOYSA-N -1 3 417.413 4.246 20 0 HIADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4)[nH]c3c2)ccc1F ZINC000491583384 904661979 /nfs/dbraw/zinc/66/19/79/904661979.db2.gz 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O=C([N-]c1cc(Cl)ccc1F)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000498274666 907811339 /nfs/dbraw/zinc/81/13/39/907811339.db2.gz GREWVPMDGAZCOO-UHFFFAOYSA-N -1 3 402.710 4.470 20 0 HIADHM Cc1ccc(NC(=O)c2ccc3cc[nH]c3n2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000498547713 908010933 /nfs/dbraw/zinc/01/09/33/908010933.db2.gz HLILDEGYZRIWPP-UHFFFAOYSA-N -1 3 424.457 4.064 20 0 HIADHM C[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000498925808 908334237 /nfs/dbraw/zinc/33/42/37/908334237.db2.gz CSTNQMXBXJPDNK-OAHLLOKOSA-N -1 3 400.906 4.102 20 0 HIADHM C[C@@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@@H](C)C1 ZINC000499140429 908498170 /nfs/dbraw/zinc/49/81/70/908498170.db2.gz WCBBTVRHOIOUBN-VCBZYWHSSA-N -1 3 404.507 4.181 20 0 HIADHM CC(C)N(CC(=O)OC(C)(C)C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000499248890 908620640 /nfs/dbraw/zinc/62/06/40/908620640.db2.gz KXCLZBNQQKEBGA-UHFFFAOYSA-N -1 3 403.504 4.209 20 0 HIADHM CC(C)c1nnc([N-]C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)s1 ZINC000500141313 909618943 /nfs/dbraw/zinc/61/89/43/909618943.db2.gz SKSCXZRYAWVCAX-UHFFFAOYSA-N -1 3 416.816 4.167 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)ccc1OC(C)C ZINC000500301642 909766761 /nfs/dbraw/zinc/76/67/61/909766761.db2.gz HEGCWRNGQGKTHU-UHFFFAOYSA-N -1 3 416.543 4.127 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)c2)n1 ZINC000500353064 909808304 /nfs/dbraw/zinc/80/83/04/909808304.db2.gz DXWHNIURPUGEPG-UHFFFAOYSA-N -1 3 416.485 4.298 20 0 HIADHM O=S(=O)([N-]Cc1ccc(Br)s1)c1csc(-c2ccccc2)n1 ZINC000500443570 909862696 /nfs/dbraw/zinc/86/26/96/909862696.db2.gz ZQKSZJBQLSGMNI-UHFFFAOYSA-N -1 3 415.359 4.113 20 0 HIADHM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1ccc(C(F)(F)F)nc1 ZINC000500472124 909877679 /nfs/dbraw/zinc/87/76/79/909877679.db2.gz SOFOPUMLNZIVLH-UHFFFAOYSA-N -1 3 415.618 4.317 20 0 HIADHM O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1cc(Br)ccc1F ZINC000500697333 910030162 /nfs/dbraw/zinc/03/01/62/910030162.db2.gz JBHVSUSCKMRRNJ-CYBMUJFWSA-N -1 3 402.310 4.104 20 0 HIADHM COC(=O)[C@@](C)(NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000501070027 910274868 /nfs/dbraw/zinc/27/48/68/910274868.db2.gz DFETUHDTOBINMC-KRWDZBQOSA-N -1 3 402.661 4.171 20 0 HIADHM O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000501207148 910371331 /nfs/dbraw/zinc/37/13/31/910371331.db2.gz UOJBXORMMGSDDV-UHFFFAOYSA-N -1 3 414.204 4.185 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3cc4ccccc4[nH]c3=O)c2)n1 ZINC000502358672 911342274 /nfs/dbraw/zinc/34/22/74/911342274.db2.gz CEDOEIWNUVHSKS-UHFFFAOYSA-N -1 3 414.465 4.237 20 0 HIADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c(=O)[n-]1 ZINC000502398668 911384074 /nfs/dbraw/zinc/38/40/74/911384074.db2.gz DPVFJMYXKVPWAB-NRFANRHFSA-N -1 3 413.880 4.430 20 0 HIADHM O=c1[n-]c(CSc2nnc(Cc3ccccc3F)o2)nc2c3ccccc3oc21 ZINC000502584200 911589023 /nfs/dbraw/zinc/58/90/23/911589023.db2.gz DOYQHJBIAPDTGI-UHFFFAOYSA-N -1 3 408.414 4.487 20 0 HIADHM COc1ccccc1Cc1nnc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)o1 ZINC000502599668 911606052 /nfs/dbraw/zinc/60/60/52/911606052.db2.gz FTPXSXXEPYTPDW-UHFFFAOYSA-N -1 3 420.450 4.356 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)c4nccn4c3)c2)cc1 ZINC000502842415 911853114 /nfs/dbraw/zinc/85/31/14/911853114.db2.gz JSNKTXQWRPGAOY-UHFFFAOYSA-N -1 3 420.494 4.004 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cccc3ccsc32)cc1OC ZINC000502863694 911870511 /nfs/dbraw/zinc/87/05/11/911870511.db2.gz YIFCCAZEVGKAFK-UHFFFAOYSA-N -1 3 405.501 4.316 20 0 HIADHM C[C@@H](Cc1cccs1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000502968886 911950348 /nfs/dbraw/zinc/95/03/48/911950348.db2.gz JJMBJWRHMPMLQW-ZDUSSCGKSA-N -1 3 421.950 4.098 20 0 HIADHM CCCCOc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)OCC)c2)c(C)c1 ZINC000506711808 915390164 /nfs/dbraw/zinc/39/01/64/915390164.db2.gz UWDIYQISWPKCID-UHFFFAOYSA-N -1 3 405.516 4.080 20 0 HIADHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506732983 915418614 /nfs/dbraw/zinc/41/86/14/915418614.db2.gz ZNLUKRCBBMHSQH-UHFFFAOYSA-N -1 3 408.523 4.299 20 0 HIADHM CCn1c(CNC(=O)c2cc([O-])ccc2Cl)nc2cc(Br)ccc21 ZINC000506774615 915488649 /nfs/dbraw/zinc/48/86/49/915488649.db2.gz HKKQIDPHSZRKHI-UHFFFAOYSA-N -1 3 408.683 4.108 20 0 HIADHM COCCc1noc(CS[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000507468256 916238069 /nfs/dbraw/zinc/23/80/69/916238069.db2.gz YVPMTROZVTWLNW-SNVBAGLBSA-N -1 3 418.500 4.223 20 0 HIADHM O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000507507413 916273425 /nfs/dbraw/zinc/27/34/25/916273425.db2.gz GVRDEZHSXOTXNJ-CYBMUJFWSA-N -1 3 424.726 4.054 20 0 HIADHM CC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(Br)cc2C)ccc1F ZINC000507639091 916397389 /nfs/dbraw/zinc/39/73/89/916397389.db2.gz VJONOJGJBXFIJX-UHFFFAOYSA-N -1 3 400.269 4.208 20 0 HIADHM CCCC1CCC(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000507908180 916780328 /nfs/dbraw/zinc/78/03/28/916780328.db2.gz JWKLJUVMEMGZHF-UHFFFAOYSA-N -1 3 407.511 4.043 20 0 HIADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c1 ZINC000507908366 916781904 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O=S(=O)([N-][C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ccsc1 ZINC000508192776 917014299 /nfs/dbraw/zinc/01/42/99/917014299.db2.gz GFTAWYOHNLTAPL-NSHDSACASA-N -1 3 405.341 4.229 20 0 HIADHM C[C@H]1CCC[C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000508257379 917074963 /nfs/dbraw/zinc/07/49/63/917074963.db2.gz NDEHHBVHASFADB-JKSUJKDBSA-N -1 3 404.507 4.183 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ncc(Br)cc2Br)cc1C ZINC000509241099 917935410 /nfs/dbraw/zinc/93/54/10/917935410.db2.gz PTUPWUXUVGBPKB-UHFFFAOYSA-N -1 3 420.126 4.024 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1noc(-c2cccc(F)c2)n1 ZINC000509242338 917936422 /nfs/dbraw/zinc/93/64/22/917936422.db2.gz WBNWLQNAKXGPIV-UHFFFAOYSA-N -1 3 421.837 4.062 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4c(cccc4Br)[nH]3)cc2)n1 ZINC000509343933 918009949 /nfs/dbraw/zinc/00/99/49/918009949.db2.gz MSZBWJRUTZMGCV-UHFFFAOYSA-N -1 3 423.270 4.241 20 0 HIADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1cc(Cl)ccc1C(F)(F)F ZINC000509446245 918099692 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ZINC000030580059 847741190 /nfs/dbraw/zinc/74/11/90/847741190.db2.gz XIYPLIAZWZWGKO-UHFFFAOYSA-N -1 3 410.425 4.294 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1CCC(F)(F)CC1 ZINC000436517034 861832211 /nfs/dbraw/zinc/83/22/11/861832211.db2.gz WTTFPBSYNMPJBA-HXUWFJFHSA-N -1 3 416.468 4.195 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000436524844 861835222 /nfs/dbraw/zinc/83/52/22/861835222.db2.gz CDUSWBVNIVOZMF-DKOYFPBOSA-N -1 3 406.526 4.338 20 0 HIADHM O=C(CSc1ccc2ccccc2c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436527038 861835961 /nfs/dbraw/zinc/83/59/61/861835961.db2.gz KQGMWICSLNVRJH-UHFFFAOYSA-N -1 3 420.534 4.059 20 0 HIADHM CCCCc1ccc([C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)c2cccs2)cc1 ZINC000031220685 847847033 /nfs/dbraw/zinc/84/70/33/847847033.db2.gz RIHKZUOJDLLKDJ-JOCHJYFZSA-N -1 3 409.555 4.239 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Oc2ccccc2)cc1 ZINC000436528587 861837242 /nfs/dbraw/zinc/83/72/42/861837242.db2.gz 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CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(-c3ccccc3Cl)o2)s1 ZINC000045947148 848756598 /nfs/dbraw/zinc/75/65/98/848756598.db2.gz IDHLXVMJGFSAFW-UHFFFAOYSA-N -1 3 423.903 4.359 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cl)c4cccnc34)c2)n1 ZINC000046067232 848781174 /nfs/dbraw/zinc/78/11/74/848781174.db2.gz RIAAXIYHMPATAG-UHFFFAOYSA-N -1 3 404.857 4.453 20 0 HIADHM COc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc(OC)c1OC ZINC000436758373 861947748 /nfs/dbraw/zinc/94/77/48/861947748.db2.gz YXHKQCBCUYLSGX-UHFFFAOYSA-N -1 3 409.438 4.249 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000436758939 861948533 /nfs/dbraw/zinc/94/85/33/861948533.db2.gz ZYOJVUZLJZZOOY-FQEVSTJZSA-N -1 3 412.493 4.046 20 0 HIADHM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000436777886 861968831 /nfs/dbraw/zinc/96/88/31/861968831.db2.gz OYUBKMMOAWMQBX-UHFFFAOYSA-N -1 3 416.403 4.216 20 0 HIADHM CCn1c(=O)c2c(C)c(C)sc2nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436777705 861969822 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862070372 /nfs/dbraw/zinc/07/03/72/862070372.db2.gz PXNIBRGTKCISEN-UHFFFAOYSA-N -1 3 417.446 4.275 20 0 HIADHM Cc1ccccc1CN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436902901 862077637 /nfs/dbraw/zinc/07/76/37/862077637.db2.gz LCLLPIUXJRZHGB-QHCPKHFHSA-N -1 3 402.494 4.220 20 0 HIADHM CCOc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436905332 862081580 /nfs/dbraw/zinc/08/15/80/862081580.db2.gz RZPGSTDIWVCIJF-JOCHJYFZSA-N -1 3 404.466 4.291 20 0 HIADHM C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(F)c(F)c1 ZINC000436906289 862082172 /nfs/dbraw/zinc/08/21/72/862082172.db2.gz VPEMQLSEIWKKNW-OYHNWAKOSA-N -1 3 424.447 4.409 20 0 HIADHM CCOc1ccc(CCC2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1 ZINC000055453541 850027769 /nfs/dbraw/zinc/02/77/69/850027769.db2.gz DYHZPNPFKXYYOA-UHFFFAOYSA-N -1 3 404.510 4.412 20 0 HIADHM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1F ZINC000055592705 850067731 /nfs/dbraw/zinc/06/77/31/850067731.db2.gz 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CCCN(C[C@H]1CCCCO1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436925339 862106110 /nfs/dbraw/zinc/10/61/10/862106110.db2.gz INRIELRZQIJDHT-DHIUTWEWSA-N -1 3 424.541 4.061 20 0 HIADHM O=C(NCC1(c2cccc(F)c2)CCCCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436952527 862130932 /nfs/dbraw/zinc/13/09/32/862130932.db2.gz XRDPVCSYBCSWRH-OAQYLSRUSA-N -1 3 424.516 4.154 20 0 HIADHM Cc1sc(CNC(=O)N[N-]C(=O)c2ccccc2F)nc1-c1ccc(Cl)cc1 ZINC000056790694 850483511 /nfs/dbraw/zinc/48/35/11/850483511.db2.gz QRURSXFEOMNLDF-UHFFFAOYSA-N -1 3 418.881 4.055 20 0 HIADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436958417 862139316 /nfs/dbraw/zinc/13/93/16/862139316.db2.gz AQVFWSZUYPSLSX-IBGZPJMESA-N -1 3 421.497 4.343 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)cc2Cl)c1 ZINC000436964018 862143928 /nfs/dbraw/zinc/14/39/28/862143928.db2.gz QOHQLHHTFPFIIY-UHFFFAOYSA-N -1 3 417.824 4.006 20 0 HIADHM CN(C)C(=O)C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)c2ccc(Cl)cc21 ZINC000436961912 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412.917 4.056 20 0 HIADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436988479 862164460 /nfs/dbraw/zinc/16/44/60/862164460.db2.gz KCWMKAXSMARFEQ-MDASCCDHSA-N -1 3 420.431 4.053 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(Cl)c(F)c2)c1 ZINC000436989449 862166863 /nfs/dbraw/zinc/16/68/63/862166863.db2.gz RQTYSCPGRIGYKC-UHFFFAOYSA-N -1 3 417.824 4.006 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCCCc1ccccc1 ZINC000058786367 850926240 /nfs/dbraw/zinc/92/62/40/850926240.db2.gz WRTAZHUGMFQPNY-HSZRJFAPSA-N -1 3 403.478 4.429 20 0 HIADHM COc1ccc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1F ZINC000058786447 850926254 /nfs/dbraw/zinc/92/62/54/850926254.db2.gz IIQWDCJYANYAHV-OAQYLSRUSA-N -1 3 423.440 4.145 20 0 HIADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000059747020 851010629 /nfs/dbraw/zinc/01/06/29/851010629.db2.gz VPMBERFUWFYHJE-HNNXBMFYSA-N -1 3 424.847 4.079 20 0 HIADHM C=C(C)CN(CC)C(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000060624979 851171448 /nfs/dbraw/zinc/17/14/48/851171448.db2.gz BUEDUQPMVMOERL-CYBMUJFWSA-N -1 3 421.390 4.499 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2nccs2)cc1 ZINC000063305949 851655809 /nfs/dbraw/zinc/65/58/09/851655809.db2.gz BCVONWSRZQCNKU-UHFFFAOYSA-N -1 3 415.540 4.132 20 0 HIADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=S)Nc2ccc(Cl)cc2Cl)o1 ZINC000063875334 851783331 /nfs/dbraw/zinc/78/33/31/851783331.db2.gz LKXPFLCQRMCSHA-UHFFFAOYSA-N -1 3 415.346 4.060 20 0 HIADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC000064478268 851907598 /nfs/dbraw/zinc/90/75/98/851907598.db2.gz DTBMZKCRIFSIRU-IRXDYDNUSA-N -1 3 402.560 4.399 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)Cc2ccc(C(C)C)cc2)cc1OC ZINC000065751336 852245327 /nfs/dbraw/zinc/24/53/27/852245327.db2.gz INRYRZLTXOGOEI-UHFFFAOYSA-N -1 3 419.547 4.244 20 0 HIADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000065815587 852266104 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853162519 /nfs/dbraw/zinc/16/25/19/853162519.db2.gz MXBRAFNQFOKGHO-UHFFFAOYSA-N -1 3 403.514 4.138 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(COCc4ccco4)c3)nc2)n1 ZINC000111119644 853204224 /nfs/dbraw/zinc/20/42/24/853204224.db2.gz AOBOKRCNLJLRNC-UHFFFAOYSA-N -1 3 416.481 4.316 20 0 HIADHM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000111211405 853223961 /nfs/dbraw/zinc/22/39/61/853223961.db2.gz BRORHDUXMKUKMQ-CQSZACIVSA-N -1 3 422.934 4.169 20 0 HIADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000115644300 853257123 /nfs/dbraw/zinc/25/71/23/853257123.db2.gz APCDXZXFDFGXMH-AWEZNQCLSA-N -1 3 417.918 4.070 20 0 HIADHM O=C(NCc1ccccc1Oc1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000116092092 853282417 /nfs/dbraw/zinc/28/24/17/853282417.db2.gz UQIQSOCGTOTGGM-NRFANRHFSA-N -1 3 416.477 4.106 20 0 HIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000116096681 853282494 /nfs/dbraw/zinc/28/24/94/853282494.db2.gz RYRHDZSDQMGCSS-UHFFFAOYSA-N -1 3 403.269 4.018 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000117430547 853356856 /nfs/dbraw/zinc/35/68/56/853356856.db2.gz FHLLEJJUEGYXBJ-UHFFFAOYSA-N -1 3 423.296 4.278 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)cc1Cl ZINC000140070347 853433117 /nfs/dbraw/zinc/43/31/17/853433117.db2.gz QQTCQTHSOFGCJZ-UHFFFAOYSA-N -1 3 405.863 4.040 20 0 HIADHM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[N-]c2nnc(C(F)F)s2)o1 ZINC000144519350 853536546 /nfs/dbraw/zinc/53/65/46/853536546.db2.gz CBSDHUHPEILPDY-UHFFFAOYSA-N -1 3 401.398 4.482 20 0 HIADHM COc1ccc(NC(=O)c2cccc(C)c2[O-])cc1OCc1cn2ccccc2n1 ZINC000195572581 853690613 /nfs/dbraw/zinc/69/06/13/853690613.db2.gz AIORHTKIFMZZJZ-UHFFFAOYSA-N -1 3 403.438 4.188 20 0 HIADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000195646423 853735885 /nfs/dbraw/zinc/73/58/85/853735885.db2.gz DEXDWYVMHIDKTK-UHFFFAOYSA-N -1 3 416.388 4.057 20 0 HIADHM COc1cccc(-c2noc([C@H](C)NCc3cc(Br)ccc3[O-])n2)c1 ZINC000237354567 854012986 /nfs/dbraw/zinc/01/29/86/854012986.db2.gz LODTUNFZIMXXIC-NSHDSACASA-N -1 3 404.264 4.064 20 0 HIADHM CC(C)c1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000253607774 854209029 /nfs/dbraw/zinc/20/90/29/854209029.db2.gz ZNNMTSLBNQAKMM-UHFFFAOYSA-N -1 3 419.510 4.375 20 0 HIADHM O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1nnc2ccccc2c1[O-] ZINC000261470322 854273123 /nfs/dbraw/zinc/27/31/23/854273123.db2.gz UIGQXXAELZIKTG-UHFFFAOYSA-N -1 3 409.339 4.005 20 0 HIADHM Cc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)nc(-c2cccnc2)n1 ZINC000301090130 854293555 /nfs/dbraw/zinc/29/35/55/854293555.db2.gz HVOOJVKIZGWGFA-UHFFFAOYSA-N -1 3 423.904 4.061 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Oc4cc(C)ccc4C)CC3)nc2)n1 ZINC000301158254 854314475 /nfs/dbraw/zinc/31/44/75/854314475.db2.gz CWPBWJYNTWDETO-UHFFFAOYSA-N -1 3 404.514 4.471 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCN(c4ccc(F)cc4C)C3)nc2)n1 ZINC000301291943 854349467 /nfs/dbraw/zinc/34/94/67/854349467.db2.gz PPNQQCQBHGVDFG-IBGZPJMESA-N -1 3 407.493 4.335 20 0 HIADHM Cc1nc(-c2ccc(N3CCN([C@H](C)c4ccccc4Cl)CC3)nc2)[n-]c(=O)c1C ZINC000301352251 854368555 /nfs/dbraw/zinc/36/85/55/854368555.db2.gz JGUYCRALCKYYDN-QGZVFWFLSA-N -1 3 423.948 4.398 20 0 HIADHM CCc1nc(Cl)c(C)c(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000301494671 854407306 /nfs/dbraw/zinc/40/73/06/854407306.db2.gz RZLHEZBBVCKUCJ-UHFFFAOYSA-N -1 3 409.317 4.215 20 0 HIADHM O=C([N-]c1nc2c(s1)CCCCCC2)c1sccc1S(=O)(=O)C(F)F ZINC000303245720 854832709 /nfs/dbraw/zinc/83/27/09/854832709.db2.gz AQIBAILNFHCANX-UHFFFAOYSA-N -1 3 406.501 4.112 20 0 HIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000303581821 855056032 /nfs/dbraw/zinc/05/60/32/855056032.db2.gz RGCIFZQJTSNHBY-UHFFFAOYSA-N -1 3 414.458 4.029 20 0 HIADHM O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1ccc([O-])c(F)c1 ZINC000303842019 855239309 /nfs/dbraw/zinc/23/93/09/855239309.db2.gz SUXAPFZGKYWJKY-UHFFFAOYSA-N -1 3 419.431 4.382 20 0 HIADHM CSC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCCC1 ZINC000313997379 855374974 /nfs/dbraw/zinc/37/49/74/855374974.db2.gz JEDILKNAAZRXNF-UHFFFAOYSA-N -1 3 412.802 4.447 20 0 HIADHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000314539080 855375608 /nfs/dbraw/zinc/37/56/08/855375608.db2.gz QUDVJPRWJKRFQQ-UHFFFAOYSA-N -1 3 411.686 4.181 20 0 HIADHM CCc1ccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000409704385 855611602 /nfs/dbraw/zinc/61/16/02/855611602.db2.gz KAAPVJUDSDYEFM-UHFFFAOYSA-N -1 3 401.894 4.491 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3C[C@H](c4ccccc4)C3)cs2)c1 ZINC000437389827 862716005 /nfs/dbraw/zinc/71/60/05/862716005.db2.gz JNAVHFIOENJHLV-QAQDUYKDSA-N -1 3 421.522 4.014 20 0 HIADHM CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000409983895 855761808 /nfs/dbraw/zinc/76/18/08/855761808.db2.gz OXYKRRAEAAWWPM-UHFFFAOYSA-N -1 3 400.442 4.302 20 0 HIADHM COc1ccc(NC(=O)c2cc[nH]c2C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000426072802 856087596 /nfs/dbraw/zinc/08/75/96/856087596.db2.gz YLFSQJMNVRGAGP-UHFFFAOYSA-N -1 3 419.890 4.038 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(C)CCC3)ccc2C)cc1 ZINC000426075632 856089396 /nfs/dbraw/zinc/08/93/96/856089396.db2.gz YEDIKQYTRDYELG-UHFFFAOYSA-N -1 3 402.516 4.323 20 0 HIADHM COc1cccc(-c2nn(C(C)(C)C)cc2CNCc2ccccc2CC(=O)[O-])c1 ZINC000426692543 856416261 /nfs/dbraw/zinc/41/62/61/856416261.db2.gz SXMKPNCJOIIKBK-UHFFFAOYSA-N -1 3 407.514 4.231 20 0 HIADHM CCOc1c(Br)cc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1OC ZINC000426696576 856418562 /nfs/dbraw/zinc/41/85/62/856418562.db2.gz PEXLENBZWDXLLR-CQSZACIVSA-N -1 3 414.321 4.224 20 0 HIADHM COc1ccc(Br)c(CN[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])c1 ZINC000426724652 856435907 /nfs/dbraw/zinc/43/59/07/856435907.db2.gz UTRQXGVXORVIJB-INIZCTEOSA-N -1 3 416.674 4.036 20 0 HIADHM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NCc1csc(-c2ccccn2)n1 ZINC000426733289 856441881 /nfs/dbraw/zinc/44/18/81/856441881.db2.gz XCMXUDJJOYLLMZ-MRXNPFEDSA-N -1 3 408.310 4.297 20 0 HIADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)ccc1OCc1ccncc1 ZINC000426738328 856444296 /nfs/dbraw/zinc/44/42/96/856444296.db2.gz VETZZPLOXIVUPV-HSZRJFAPSA-N -1 3 406.482 4.202 20 0 HIADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cc(Cl)ccc1OC(C)C)c2=O ZINC000426746446 856451506 /nfs/dbraw/zinc/45/15/06/856451506.db2.gz YJWJDALRNKHHMJ-UHFFFAOYSA-N -1 3 404.825 4.369 20 0 HIADHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(Br)c2c(c1)OCCCO2)c1ccccc1 ZINC000426748927 856452874 /nfs/dbraw/zinc/45/28/74/856452874.db2.gz BENIHXCYCQRDKX-SCLBCKFNSA-N -1 3 420.303 4.162 20 0 HIADHM COc1ccc(C(=O)Nc2cccc(CN[C@@H](C(=O)[O-])c3cc(C)cc(C)c3)c2)cc1 ZINC000426755136 856458512 /nfs/dbraw/zinc/45/85/12/856458512.db2.gz WYESSKODJQZSFW-HSZRJFAPSA-N -1 3 418.493 4.480 20 0 HIADHM Cn1nnc2cc(CN[C@H](CC(=O)[O-])c3cccc(Oc4ccccc4)c3)ccc21 ZINC000426768195 856468102 /nfs/dbraw/zinc/46/81/02/856468102.db2.gz WDKULQZSAOFFLG-HXUWFJFHSA-N -1 3 402.454 4.066 20 0 HIADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(Cl)cc3cccnc32)cc1OC ZINC000426793720 856482692 /nfs/dbraw/zinc/48/26/92/856482692.db2.gz RFNDFZLPXJBDNE-KRWDZBQOSA-N -1 3 400.862 4.211 20 0 HIADHM O=C([O-])[C@@H](NCc1ccc(OCC(F)F)cc1)c1ccc(Br)cc1 ZINC000426802633 856486816 /nfs/dbraw/zinc/48/68/16/856486816.db2.gz XBLJUTDOKJYXFM-INIZCTEOSA-N -1 3 400.219 4.009 20 0 HIADHM CCOc1cc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)ccc1OC ZINC000426807711 856489145 /nfs/dbraw/zinc/48/91/45/856489145.db2.gz OUEKNZIQKIOYPB-MRXNPFEDSA-N -1 3 408.292 4.162 20 0 HIADHM O=C([O-])C[C@H](NCc1ccc(OC(F)F)c(F)c1)c1cccc(Br)c1 ZINC000426807089 856489156 /nfs/dbraw/zinc/48/91/56/856489156.db2.gz FWROJLUGUGTKAE-AWEZNQCLSA-N -1 3 418.209 4.495 20 0 HIADHM COc1cc(C)c(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1OC ZINC000426808994 856489759 /nfs/dbraw/zinc/48/97/59/856489759.db2.gz OMHZTUHYBGIJTB-MRXNPFEDSA-N -1 3 408.292 4.080 20 0 HIADHM O=C([O-])[C@H](NCc1ccc(F)c(Br)c1)c1ccc(Br)cc1 ZINC000426808067 856489898 /nfs/dbraw/zinc/48/98/98/856489898.db2.gz QEYRGDFZVDSCGX-CQSZACIVSA-N -1 3 417.072 4.266 20 0 HIADHM COc1cc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)ccc1SC ZINC000426807860 856490366 /nfs/dbraw/zinc/49/03/66/856490366.db2.gz JLMYSWUSODRUAF-HNNXBMFYSA-N -1 3 410.333 4.485 20 0 HIADHM CCc1ccc([C@@H](NCc2ccc(OCc3c(C)noc3C)c(OC)c2)C(=O)[O-])cc1 ZINC000426825375 856499801 /nfs/dbraw/zinc/49/98/01/856499801.db2.gz QGGWCCDWMPTUTN-HSZRJFAPSA-N -1 3 424.497 4.357 20 0 HIADHM O=C([O-])[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000426826141 856500649 /nfs/dbraw/zinc/50/06/49/856500649.db2.gz NTDJXXJODOLJSD-OAHLLOKOSA-N -1 3 418.209 4.306 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000426878350 856524496 /nfs/dbraw/zinc/52/44/96/856524496.db2.gz GMSYHBQPCRWMPB-OAQYLSRUSA-N -1 3 417.421 4.053 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000427084288 856627299 /nfs/dbraw/zinc/62/72/99/856627299.db2.gz JGZUDIWQMRLTKV-NRFANRHFSA-N -1 3 419.485 4.402 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000427084288 856627305 /nfs/dbraw/zinc/62/73/05/856627305.db2.gz JGZUDIWQMRLTKV-NRFANRHFSA-N -1 3 419.485 4.402 20 0 HIADHM O=S(=O)([N-]c1ccnc(N2CCc3ccccc3C2)c1)c1ccc(C(F)F)cc1 ZINC000427636111 856893375 /nfs/dbraw/zinc/89/33/75/856893375.db2.gz APRMDYZAIYYWAF-UHFFFAOYSA-N -1 3 415.465 4.383 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ncc(F)cc2F)cc1 ZINC000428260954 857131067 /nfs/dbraw/zinc/13/10/67/857131067.db2.gz MTUHSMZLRHJBNL-UHFFFAOYSA-N -1 3 417.437 4.030 20 0 HIADHM O=c1nc(CN(CCc2ccccc2)[C@H]2CCOC2)[n-]c2scc(-c3ccco3)c21 ZINC000437542115 862875234 /nfs/dbraw/zinc/87/52/34/862875234.db2.gz CSHDQKBFVWRSBI-KRWDZBQOSA-N -1 3 421.522 4.491 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(CC(C)C)c3-c3ccccc3)nc21 ZINC000428520041 857238813 /nfs/dbraw/zinc/23/88/13/857238813.db2.gz QREDNSMKGWQSNW-UHFFFAOYSA-N -1 3 417.469 4.121 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C3(C)CCCC3)ccc2C)cc1 ZINC000428660044 857291667 /nfs/dbraw/zinc/29/16/67/857291667.db2.gz KPTQCVGSTFYRKI-UHFFFAOYSA-N -1 3 416.543 4.209 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@]3(Cc4ccc(F)cc4)CCC[C@H]3O)nc2)n1 ZINC000428662550 857292087 /nfs/dbraw/zinc/29/20/87/857292087.db2.gz YWGLKJSFVXRUCG-YKSBVNFPSA-N -1 3 422.504 4.132 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3cccc(C)c3C)nc(=O)c2c1C ZINC000428736155 857313699 /nfs/dbraw/zinc/31/36/99/857313699.db2.gz RXHFBPIXDYUSDP-OAHLLOKOSA-N -1 3 413.543 4.280 20 0 HIADHM CSc1nc(C(C)C)nc(C)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000428873067 857381384 /nfs/dbraw/zinc/38/13/84/857381384.db2.gz RCOJIPNAFDTZNL-UHFFFAOYSA-N -1 3 410.337 4.028 20 0 HIADHM O=C([N-]c1sc2c(c1C(=O)c1ccc(Cl)cn1)CCC2)c1ncc(F)cc1F ZINC000428939737 857427555 /nfs/dbraw/zinc/42/75/55/857427555.db2.gz NZXLMXWXNLIOQT-UHFFFAOYSA-N -1 3 419.840 4.442 20 0 HIADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1nc(C)cs1 ZINC000429820906 857897617 /nfs/dbraw/zinc/89/76/17/857897617.db2.gz CMOYTAMRZLDEDP-LLVKDONJSA-N -1 3 409.758 4.297 20 0 HIADHM CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000430377416 858139209 /nfs/dbraw/zinc/13/92/09/858139209.db2.gz PRAIDLVHFQVENC-LJQANCHMSA-N 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Cc1noc2ncc(NC(=O)c3c[n-]c4ccc(Oc5ccccc5)cc4c3=O)cc12 ZINC000430649829 858248800 /nfs/dbraw/zinc/24/88/00/858248800.db2.gz JFXXSPBPPSXSDB-UHFFFAOYSA-N -1 3 412.405 4.417 20 0 HIADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)c1cccc(O)c1 ZINC000430654268 858251362 /nfs/dbraw/zinc/25/13/62/858251362.db2.gz QARHSMNYIDBGPC-SECBINFHSA-N -1 3 421.678 4.141 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(O)ccc3Cl)cc2)cc1 ZINC000431271160 858541357 /nfs/dbraw/zinc/54/13/57/858541357.db2.gz WNMAFOFTGPXDTB-UHFFFAOYSA-N -1 3 416.886 4.407 20 0 HIADHM O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cc([O-])ccc1Cl ZINC000431793689 858815007 /nfs/dbraw/zinc/81/50/07/858815007.db2.gz HOZUFMYUMAZAGI-UHFFFAOYSA-N -1 3 400.841 4.422 20 0 HIADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)[n-]1 ZINC000431820449 858826802 /nfs/dbraw/zinc/82/68/02/858826802.db2.gz CRUGFTPCANIQHB-UHFFFAOYSA-N -1 3 407.398 4.087 20 0 HIADHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431925997 858873117 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407.385 4.355 20 0 HIADHM Cc1c(C(=O)[N-]c2c(F)cc(Br)cc2F)nnn1-c1ccc(C)cc1 ZINC000443880254 868414701 /nfs/dbraw/zinc/41/47/01/868414701.db2.gz QCFBOIPEMZEUPA-UHFFFAOYSA-N -1 3 407.218 4.177 20 0 HIADHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)nnn1-c1cccc(Br)c1 ZINC000443918437 868455400 /nfs/dbraw/zinc/45/54/00/868455400.db2.gz VCLNNSXHIGWNPV-UHFFFAOYSA-N -1 3 411.181 4.008 20 0 HIADHM Cc1ncc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000444022656 868550134 /nfs/dbraw/zinc/55/01/34/868550134.db2.gz IKMLVTXPPXLZLC-ZDUSSCGKSA-N -1 3 422.329 4.002 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4cc(F)cc(C(F)(F)F)c4)CC3)nc21 ZINC000444251044 868698166 /nfs/dbraw/zinc/69/81/66/868698166.db2.gz LMDJWTQUMOMIOF-UHFFFAOYSA-N -1 3 421.350 4.178 20 0 HIADHM O=C1NCCN1c1cccc(-c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)c1 ZINC000445291243 869343909 /nfs/dbraw/zinc/34/39/09/869343909.db2.gz FGAOGELWOGQXKL-UHFFFAOYSA-N -1 3 412.449 4.230 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ccc(F)c(F)c3)cc2)cc1 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20 0 HIADHM CCN(c1ccccc1)c1ccc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000460592432 873331762 /nfs/dbraw/zinc/33/17/62/873331762.db2.gz NJNHWXISXBTZJM-UHFFFAOYSA-N -1 3 404.514 4.206 20 0 HIADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)cc1 ZINC000460829922 873716571 /nfs/dbraw/zinc/71/65/71/873716571.db2.gz JPZOGICWXKVMJF-UHFFFAOYSA-N -1 3 402.516 4.182 20 0 HIADHM CC1(C)CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@@H]1C1CC1 ZINC000460984004 873873565 /nfs/dbraw/zinc/87/35/65/873873565.db2.gz VGNCVPNBLPLPQD-MRXNPFEDSA-N -1 3 409.711 4.205 20 0 HIADHM COc1cc(OC)c(S(=O)(=O)[N-]c2c(C)cccc2Cl)cc1Br ZINC000461131824 874066744 /nfs/dbraw/zinc/06/67/44/874066744.db2.gz XVFCJOVXVVJGEZ-UHFFFAOYSA-N -1 3 420.712 4.229 20 0 HIADHM O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1c[n-]c2ccccc2c1=O ZINC000468725165 882830173 /nfs/dbraw/zinc/83/01/73/882830173.db2.gz NAPRXFKQQTYHMU-MRXNPFEDSA-N -1 3 415.518 4.187 20 0 HIADHM CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468799672 882865410 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ZINC000469213752 883313466 /nfs/dbraw/zinc/31/34/66/883313466.db2.gz GREJQWOUHGFJHF-MRXNPFEDSA-N -1 3 421.472 4.379 20 0 HIADHM CCOC(=O)c1ccc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)nc1C ZINC000470370725 884767045 /nfs/dbraw/zinc/76/70/45/884767045.db2.gz AGMGLHGHOKSMSC-UHFFFAOYSA-N -1 3 408.439 4.084 20 0 HIADHM CC[C@H](c1nnc([N-]C(=O)c2cc(OC)c(OC)cc2F)s1)c1ccccc1 ZINC000470374116 884770815 /nfs/dbraw/zinc/77/08/15/884770815.db2.gz HLMGPQWAMKOPGQ-ZDUSSCGKSA-N -1 3 401.463 4.489 20 0 HIADHM Cc1c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)nnn1-c1ccccc1 ZINC000470616787 885041761 /nfs/dbraw/zinc/04/17/61/885041761.db2.gz FDCDLCCNOXNNND-UHFFFAOYSA-N -1 3 414.853 4.139 20 0 HIADHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000470754798 885219736 /nfs/dbraw/zinc/21/97/36/885219736.db2.gz HMJDHAROIJNTLA-UHFFFAOYSA-N -1 3 413.433 4.023 20 0 HIADHM COc1cc(F)c(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)cc1OC ZINC000470853619 885350412 /nfs/dbraw/zinc/35/04/12/885350412.db2.gz BKEAANWFLLXIQD-UHFFFAOYSA-N -1 3 405.476 4.406 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)NC(C)C)ccc2Cl)c(Cl)cc1F ZINC000471136136 885677767 /nfs/dbraw/zinc/67/77/67/885677767.db2.gz IJYNXQHTUAXCGS-UHFFFAOYSA-N -1 3 419.305 4.380 20 0 HIADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)CCO1 ZINC000504070360 912970856 /nfs/dbraw/zinc/97/08/56/912970856.db2.gz KQEXEOBJLHOWFD-IEBWSBKVSA-N -1 3 416.543 4.248 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000471243118 885819990 /nfs/dbraw/zinc/81/99/90/885819990.db2.gz XMXCRAYNOFUUTC-UHFFFAOYSA-N -1 3 406.457 4.423 20 0 HIADHM CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000471249259 885825868 /nfs/dbraw/zinc/82/58/68/885825868.db2.gz GOWNEINBGDVHTD-UHFFFAOYSA-N -1 3 410.861 4.039 20 0 HIADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)s1 ZINC000471578260 886291734 /nfs/dbraw/zinc/29/17/34/886291734.db2.gz POMLGEHLLHDWTK-ZETCQYMHSA-N -1 3 413.721 4.046 20 0 HIADHM O=C(NCc1ccc(N2CCc3ccccc3C2)nc1)c1cc([O-])c2ccccc2c1 ZINC000471797008 886532537 /nfs/dbraw/zinc/53/25/37/886532537.db2.gz FMUQHWPGOBGGMQ-UHFFFAOYSA-N -1 3 409.489 4.433 20 0 HIADHM O=S(=O)([N-][C@@H](c1cccc(Cl)c1)c1ccccn1)c1cc(F)c(F)c(F)c1 ZINC000471870453 886648413 /nfs/dbraw/zinc/64/84/13/886648413.db2.gz JNERPPDXPHXSAF-SFHVURJKSA-N -1 3 412.820 4.220 20 0 HIADHM COc1ccc([C@H](NC(=O)NCc2ncccc2[O-])c2ccccc2Cl)c(C)c1 ZINC000471999237 886824438 /nfs/dbraw/zinc/82/44/38/886824438.db2.gz SFCKBICAQBIUDE-NRFANRHFSA-N -1 3 411.889 4.346 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NCCc3ccccc3OC(F)F)cc2)cc(=O)[n-]1 ZINC000472013360 886835781 /nfs/dbraw/zinc/83/57/81/886835781.db2.gz PFZGMJVAARBXTN-UHFFFAOYSA-N -1 3 414.412 4.123 20 0 HIADHM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc([O-])c3ccccc3c2)c1C ZINC000472028068 886850210 /nfs/dbraw/zinc/85/02/10/886850210.db2.gz CAYRGDRHRSCWQI-HXUWFJFHSA-N -1 3 406.507 4.316 20 0 HIADHM Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472029471 886851268 /nfs/dbraw/zinc/85/12/68/886851268.db2.gz 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HIADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480422599 895818351 /nfs/dbraw/zinc/81/83/51/895818351.db2.gz XPFPMAPDUSEFCJ-QUCCMNQESA-N -1 3 412.288 4.278 20 0 HIADHM O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000480622285 895989830 /nfs/dbraw/zinc/98/98/30/895989830.db2.gz BSHGBDJVBZGQSA-UHFFFAOYSA-N -1 3 420.269 4.120 20 0 HIADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000481018493 896349805 /nfs/dbraw/zinc/34/98/05/896349805.db2.gz XNFDTUBOEABRHR-OALUTQOASA-N -1 3 422.547 4.031 20 0 HIADHM Cc1c(COc2ccccc2)cccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481247810 896598591 /nfs/dbraw/zinc/59/85/91/896598591.db2.gz UUTSSQJGTVXIBR-UHFFFAOYSA-N -1 3 405.380 4.033 20 0 HIADHM O=S(=O)([N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1Cl ZINC000481465129 896856678 /nfs/dbraw/zinc/85/66/78/896856678.db2.gz LPZDWSWGEOLXSN-CYBMUJFWSA-N -1 3 414.232 4.024 20 0 HIADHM Cc1ccc(-n2ncc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c2C2CC2)cc1Cl ZINC000481637244 897021136 /nfs/dbraw/zinc/02/11/36/897021136.db2.gz CSPBCICDLYIURN-UHFFFAOYSA-N -1 3 419.876 4.144 20 0 HIADHM Cc1ccc(-n2ncc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2C2CC2)cc1Cl ZINC000481637244 897021145 /nfs/dbraw/zinc/02/11/45/897021145.db2.gz CSPBCICDLYIURN-UHFFFAOYSA-N -1 3 419.876 4.144 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc(OCC(F)F)cc3)cc2)cc(=O)[n-]1 ZINC000481711593 897101598 /nfs/dbraw/zinc/10/15/98/897101598.db2.gz FLWXHXLCBBYOFG-UHFFFAOYSA-N -1 3 400.385 4.446 20 0 HIADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1Cl ZINC000481863733 897232509 /nfs/dbraw/zinc/23/25/09/897232509.db2.gz JDTLOBUSHQNADW-UHFFFAOYSA-N -1 3 422.856 4.144 20 0 HIADHM COc1ccc2c(c1)c(C(=O)NCc1nc(C(F)(F)F)n[n-]1)c(C)n2C1CCCC1 ZINC000482233331 897714638 /nfs/dbraw/zinc/71/46/38/897714638.db2.gz XAINLBJSTJJHCW-UHFFFAOYSA-N -1 3 421.423 4.140 20 0 HIADHM CCc1cccc2c1OCC[C@@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482484137 898062788 /nfs/dbraw/zinc/06/27/88/898062788.db2.gz XQKHPJWNYVNJQC-INIZCTEOSA-N -1 3 405.292 4.040 20 0 HIADHM CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000505548491 914249727 /nfs/dbraw/zinc/24/97/27/914249727.db2.gz BYXPXORZZGDYDX-WMLDXEAASA-N -1 3 407.942 4.375 20 0 HIADHM CC(C)c1nn(C)cc1NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000482913746 898532126 /nfs/dbraw/zinc/53/21/26/898532126.db2.gz CZRFBESSLFFEPO-UHFFFAOYSA-N -1 3 402.454 4.430 20 0 HIADHM CC(C)(C)C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000483094758 898783551 /nfs/dbraw/zinc/78/35/51/898783551.db2.gz ZNJKSHXJMAIEKU-LBPRGKRZSA-N -1 3 403.836 4.454 20 0 HIADHM CCc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000483109193 898801978 /nfs/dbraw/zinc/80/19/78/898801978.db2.gz KXXRZZUUKJHNLZ-UHFFFAOYSA-N -1 3 422.865 4.352 20 0 HIADHM Cc1ccccc1C(NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1C ZINC000483268293 898906918 /nfs/dbraw/zinc/90/69/18/898906918.db2.gz NTCUVYBTSQIRNR-UHFFFAOYSA-N -1 3 403.408 4.029 20 0 HIADHM O=C(N[C@H]1CC2CCC1CC2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000483416384 899045330 /nfs/dbraw/zinc/04/53/30/899045330.db2.gz KTPPWXZRGOFPKG-HEEBCNDISA-N -1 3 409.711 4.253 20 0 HIADHM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483566145 899221762 /nfs/dbraw/zinc/22/17/62/899221762.db2.gz ZOIWACMVBFZOHS-CYBMUJFWSA-N -1 3 403.408 4.393 20 0 HIADHM CCN(CC1CC1)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000483972385 899616518 /nfs/dbraw/zinc/61/65/18/899616518.db2.gz KKAPIUFNLFPDED-UHFFFAOYSA-N -1 3 424.925 4.460 20 0 HIADHM COC(=O)[C@@](C)([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(Cl)c(Cl)c1 ZINC000484338291 899889886 /nfs/dbraw/zinc/88/98/86/899889886.db2.gz IKEVGWHCKQMKAK-KRWDZBQOSA-N -1 3 424.177 4.368 20 0 HIADHM CCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)C1CCCCC1 ZINC000484439427 899944990 /nfs/dbraw/zinc/94/49/90/899944990.db2.gz AFFKRDDYFHINFK-HXUWFJFHSA-N -1 3 424.545 4.215 20 0 HIADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000484940037 900310772 /nfs/dbraw/zinc/31/07/72/900310772.db2.gz OFCUDYKQJAZRTF-UHFFFAOYSA-N -1 3 421.326 4.100 20 0 HIADHM Cc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)nn1-c1c(F)cccc1F ZINC000485126723 900430203 /nfs/dbraw/zinc/43/02/03/900430203.db2.gz XVEKBQVKHFHMEI-UHFFFAOYSA-N -1 3 420.379 4.243 20 0 HIADHM Cc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)nn1-c1c(F)cccc1F ZINC000485126723 900430208 /nfs/dbraw/zinc/43/02/08/900430208.db2.gz XVEKBQVKHFHMEI-UHFFFAOYSA-N -1 3 420.379 4.243 20 0 HIADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(OC2CCOCC2)cc1 ZINC000485132072 900434944 /nfs/dbraw/zinc/43/49/44/900434944.db2.gz YYIPIARTOXOCPH-UHFFFAOYSA-N -1 3 404.426 4.028 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](c1ccco1)c1ccccc1 ZINC000485281339 900559277 /nfs/dbraw/zinc/55/92/77/900559277.db2.gz DBGYVHBFPJFDNZ-GOSISDBHSA-N -1 3 401.260 4.337 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H](c1ccccc1)c1cccnc1 ZINC000485585353 900849759 /nfs/dbraw/zinc/84/97/59/900849759.db2.gz ZJZHRQPIHKTZJU-LJQANCHMSA-N -1 3 412.287 4.139 20 0 HIADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)c(=O)[n-]1 ZINC000485645536 900896580 /nfs/dbraw/zinc/89/65/80/900896580.db2.gz CGMJMWIIUDJFFT-OAHLLOKOSA-N -1 3 423.488 4.327 20 0 HIADHM CC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cc(F)cc(Br)c1 ZINC000485687912 900939056 /nfs/dbraw/zinc/93/90/56/900939056.db2.gz XAEGTOTYZVHCRS-INIZCTEOSA-N -1 3 403.251 4.311 20 0 HIADHM CCCCc1nc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c(C(=O)OCC)[n-]1 ZINC000485706507 900955857 /nfs/dbraw/zinc/95/58/57/900955857.db2.gz CDFHIBAUEBXJSM-UHFFFAOYSA-N -1 3 424.457 4.027 20 0 HIADHM CCCCc1nc(NC(=O)c2ccc(C)cc2Br)c(C(=O)OCC)[n-]1 ZINC000485708166 900956906 /nfs/dbraw/zinc/95/69/06/900956906.db2.gz ZCJPGNITDBLXKK-UHFFFAOYSA-N -1 3 408.296 4.252 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N(CCOC)Cc3ccc(F)cc3Cl)nc2)n1 ZINC000485969753 901187348 /nfs/dbraw/zinc/18/73/48/901187348.db2.gz KIBDXBNSEPFGQR-UHFFFAOYSA-N -1 3 416.884 4.252 20 0 HIADHM COc1ccc(C(=O)Nc2cccc(C=Cc3cc(=O)[n-]c(-c4ccncc4)n3)c2)cc1 ZINC000486002626 901216520 /nfs/dbraw/zinc/21/65/20/901216520.db2.gz QRIYVFXVHXYINJ-YVMONPNESA-N -1 3 424.460 4.263 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000486465651 901625331 /nfs/dbraw/zinc/62/53/31/901625331.db2.gz WDWWXBMPRKCAIK-CYBMUJFWSA-N -1 3 417.225 4.300 20 0 HIADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c1 ZINC000486557834 901704288 /nfs/dbraw/zinc/70/42/88/901704288.db2.gz PERBVCNOYLUISU-UHFFFAOYSA-N -1 3 404.232 4.121 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000486645315 901771612 /nfs/dbraw/zinc/77/16/12/901771612.db2.gz LILOUQKOPFZNQO-HNNXBMFYSA-N -1 3 421.360 4.479 20 0 HIADHM C[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1nc(C(F)(F)F)cs1 ZINC000486836126 901886573 /nfs/dbraw/zinc/88/65/73/901886573.db2.gz XRVISIASYRRKSP-VIFPVBQESA-N -1 3 419.475 4.325 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1nnc(/C=C\c2ccco2)s1 ZINC000486866810 901912886 /nfs/dbraw/zinc/91/28/86/901912886.db2.gz FPDLCSVIQVFEJY-XQRVVYSFSA-N -1 3 421.276 4.091 20 0 HIADHM COc1ccccc1-n1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nc2ccccc2c1=O ZINC000487720980 902316380 /nfs/dbraw/zinc/31/63/80/902316380.db2.gz YMCIKBIICZJCGA-AWEZNQCLSA-N -1 3 420.494 4.052 20 0 HIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3ccc(F)cc3C)nc(=O)c2c1C ZINC000487948622 902477936 /nfs/dbraw/zinc/47/79/36/902477936.db2.gz ABYWVDKUQRVISD-CYBMUJFWSA-N -1 3 417.506 4.110 20 0 HIADHM COC(=O)c1cc(C)nc2nc(SCc3cc(C)ccc3OC(F)F)[n-]c(=O)c21 ZINC000488247227 902721813 /nfs/dbraw/zinc/72/18/13/902721813.db2.gz KCXKYWYSOWJYQS-UHFFFAOYSA-N -1 3 421.425 4.028 20 0 HIADHM COc1ccc2ccccc2c1-c1cc(CNC(=O)NCc2ccc([O-])c(F)c2)on1 ZINC000488284938 902748058 /nfs/dbraw/zinc/74/80/58/902748058.db2.gz CCRSVDDXANUHMB-UHFFFAOYSA-N -1 3 421.428 4.348 20 0 HIADHM CC[C@@H](c1nnc([N-]C(=O)c2cc(C)nc(C(F)(F)F)n2)s1)c1ccccc1 ZINC000488333523 902769321 /nfs/dbraw/zinc/76/93/21/902769321.db2.gz NERWUTJLLYIJCM-GFCCVEGCSA-N -1 3 407.421 4.450 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)c1c[nH]c2ccc(Br)cc12 ZINC000488652096 902920050 /nfs/dbraw/zinc/92/00/50/902920050.db2.gz BXEQIKAXSQVKPD-UHFFFAOYSA-N -1 3 424.092 4.329 20 0 HIADHM Cc1ccc(-c2nc(CC(=O)NCc3ccc([O-])c(Br)c3)cs2)cc1 ZINC000488663016 902926397 /nfs/dbraw/zinc/92/63/97/902926397.db2.gz WIQCKPPKKQTWFC-UHFFFAOYSA-N -1 3 417.328 4.446 20 0 HIADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCCO1)c1cc(C(F)(F)F)ccc1F ZINC000488672107 902933862 /nfs/dbraw/zinc/93/38/62/902933862.db2.gz MUWZUFMWJRETQD-WBVHZDCISA-N -1 3 403.397 4.043 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000488674249 902935912 /nfs/dbraw/zinc/93/59/12/902935912.db2.gz MEKJOAZITMAFKT-UHFFFAOYSA-N -1 3 414.259 4.012 20 0 HIADHM O=S(=O)([N-]Cc1csc(Br)c1)c1cc(C(F)(F)F)ccc1F ZINC000488789689 903001561 /nfs/dbraw/zinc/00/15/61/903001561.db2.gz DZPXRIXXKNPDOU-UHFFFAOYSA-N -1 3 418.231 4.147 20 0 HIADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3F)o2)cs1 ZINC000488848261 903041156 /nfs/dbraw/zinc/04/11/56/903041156.db2.gz AWJJIGSODNQYLF-UHFFFAOYSA-N -1 3 420.409 4.348 20 0 HIADHM O=S(=O)([N-]Cc1cc(Br)cs1)c1ccc(F)cc1C(F)(F)F ZINC000488852081 903042717 /nfs/dbraw/zinc/04/27/17/903042717.db2.gz CIUHHEPVJVLCBO-UHFFFAOYSA-N -1 3 418.231 4.147 20 0 HIADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000489536322 903447533 /nfs/dbraw/zinc/44/75/33/903447533.db2.gz RWLVJBXLUDSKRJ-UHFFFAOYSA-N -1 3 409.349 4.154 20 0 HIADHM Cc1cc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)nc(C(F)(F)F)n1 ZINC000490263143 903861411 /nfs/dbraw/zinc/86/14/11/903861411.db2.gz UTLKXJYNBXYYKR-UHFFFAOYSA-N -1 3 417.775 4.367 20 0 HIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000490456882 904020772 /nfs/dbraw/zinc/02/07/72/904020772.db2.gz WCLJWIFQQDXURU-UHFFFAOYSA-N -1 3 406.357 4.101 20 0 HIADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)OC(C)C)ccc2Cl)c1 ZINC000492044187 904773966 /nfs/dbraw/zinc/77/39/66/904773966.db2.gz ONLHSDISHPLRQO-UHFFFAOYSA-N -1 3 418.298 4.368 20 0 HIADHM Cc1csc(CCCC[N-]S(=O)(=O)c2cccc(Cl)c2Br)n1 ZINC000493363503 905093935 /nfs/dbraw/zinc/09/39/35/905093935.db2.gz NDSPMMBMDRVKQE-UHFFFAOYSA-N -1 3 423.785 4.169 20 0 HIADHM COC(=O)c1ccc(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)[n-]1 ZINC000493823721 905227905 /nfs/dbraw/zinc/22/79/05/905227905.db2.gz ZSRCPVJXFSSKST-UHFFFAOYSA-N -1 3 411.163 4.302 20 0 HIADHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493934878 905287662 /nfs/dbraw/zinc/28/76/62/905287662.db2.gz GYGLWCVTDWYYPQ-GXTWGEPZSA-N -1 3 424.788 4.365 20 0 HIADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1cccc(Cl)c1Br ZINC000494389354 905686328 /nfs/dbraw/zinc/68/63/28/905686328.db2.gz WHPBBYUGVROXQP-LBPRGKRZSA-N -1 3 420.687 4.044 20 0 HIADHM O=S(=O)([N-][C@@H]1CCCc2c(O)cccc21)c1cccc(Cl)c1Br ZINC000494433333 905719233 /nfs/dbraw/zinc/71/92/33/905719233.db2.gz JFVPOCPUYNJFNN-CYBMUJFWSA-N -1 3 416.724 4.164 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1Cl ZINC000494634377 905875706 /nfs/dbraw/zinc/87/57/06/905875706.db2.gz QLKHNYDOOUBLMK-UHFFFAOYSA-N -1 3 409.813 4.481 20 0 HIADHM COc1cc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc(OC)c1[O-] ZINC000512493704 921199590 /nfs/dbraw/zinc/19/95/90/921199590.db2.gz JUISOWGXQHRRMH-OAHLLOKOSA-N -1 3 421.318 4.044 20 0 HIADHM C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000495263019 906349335 /nfs/dbraw/zinc/34/93/35/906349335.db2.gz RXTUSHUASFSFPO-ZETCQYMHSA-N -1 3 401.801 4.144 20 0 HIADHM C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000495263019 906349342 /nfs/dbraw/zinc/34/93/42/906349342.db2.gz RXTUSHUASFSFPO-ZETCQYMHSA-N -1 3 401.801 4.144 20 0 HIADHM O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Br)c([O-])c1 ZINC000495952126 906584064 /nfs/dbraw/zinc/58/40/64/906584064.db2.gz GRZSKHGSVJNPJO-UHFFFAOYSA-N -1 3 400.154 4.302 20 0 HIADHM Cc1cccc2ncc(CN(C)Cc3cccc([N-]S(=O)(=O)c4ccccc4)c3)n21 ZINC000512614996 921262308 /nfs/dbraw/zinc/26/23/08/921262308.db2.gz UGWWORXVIUSYRU-UHFFFAOYSA-N -1 3 420.538 4.076 20 0 HIADHM [O-]c1ccc(F)c(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c1F ZINC000512658071 921277828 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20 0 HIADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000498340182 907847575 /nfs/dbraw/zinc/84/75/75/907847575.db2.gz JMHITZPBXXRGNS-LJAQVGFWSA-N -1 3 418.465 4.106 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCC(C)(C)C3CCCCC3)c2)n1 ZINC000498692458 908121069 /nfs/dbraw/zinc/12/10/69/908121069.db2.gz DBHYNFBKHVGCSI-UHFFFAOYSA-N -1 3 424.545 4.073 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C(F)F)ccc2C)cc1 ZINC000512889574 921383085 /nfs/dbraw/zinc/38/30/85/921383085.db2.gz FPIWVLWHJQLDLF-IRXDYDNUSA-N -1 3 424.469 4.034 20 0 HIADHM CCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000499840960 908972451 /nfs/dbraw/zinc/97/24/51/908972451.db2.gz OMCHWNXAFCPJLH-UHFFFAOYSA-N -1 3 423.538 4.337 20 0 HIADHM O=S(=O)([N-][C@H](C[C@@H]1CCOC1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000512991609 921458732 /nfs/dbraw/zinc/45/87/32/921458732.db2.gz KPDCPTXKWREFSM-SUMWQHHRSA-N -1 3 400.327 4.440 20 0 HIADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(OC)c(OC)c1 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CCOc1cc(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)cc(Cl)c1[O-] ZINC000564094036 945377433 /nfs/dbraw/zinc/37/74/33/945377433.db2.gz LRUJNFCUOUVMJM-QGZVFWFLSA-N -1 3 408.951 4.199 20 0 HIADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3cccc(Cl)c3)n2)cc1F ZINC000564489038 945620554 /nfs/dbraw/zinc/62/05/54/945620554.db2.gz SCRKZGJLGQWTNL-LBPRGKRZSA-N -1 3 409.870 4.018 20 0 HIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc1C ZINC000565573828 945851599 /nfs/dbraw/zinc/85/15/99/945851599.db2.gz VTQPNNFTWWFKKT-UHFFFAOYSA-N -1 3 416.474 4.308 20 0 HIADHM O=C(NCc1ccc(C2CCC2)cc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000567326832 946313079 /nfs/dbraw/zinc/31/30/79/946313079.db2.gz LFSIGSCNBDHHFY-UHFFFAOYSA-N -1 3 411.299 4.488 20 0 HIADHM Cc1c(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)nnn1CC1CCCC1 ZINC000568353181 946523356 /nfs/dbraw/zinc/52/33/56/946523356.db2.gz BNQYHDPAKZYPBE-UHFFFAOYSA-N -1 3 420.901 4.340 20 0 HIADHM CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C)[C@@H](C)C(C)C ZINC000569770116 946999883 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HIADHM COCCOc1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])ccc1OC ZINC000436598342 861863173 /nfs/dbraw/zinc/86/31/73/861863173.db2.gz SWLSJVABSPKKAD-UHFFFAOYSA-N -1 3 407.466 4.269 20 0 HIADHM CS(=O)(=O)Cc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1F ZINC000436591919 861862164 /nfs/dbraw/zinc/86/21/64/861862164.db2.gz YULYHZNINOOJBL-UHFFFAOYSA-N -1 3 415.442 4.121 20 0 HIADHM O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436603246 861865981 /nfs/dbraw/zinc/86/59/81/861865981.db2.gz MIPCLQUGPWWPET-FQEVSTJZSA-N -1 3 400.478 4.033 20 0 HIADHM O=C(NCC1CCC(c2ccccc2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436616898 861870689 /nfs/dbraw/zinc/87/06/89/861870689.db2.gz IXEQPPJOEHNJJI-ZNIKRAEXSA-N -1 3 406.526 4.087 20 0 HIADHM C[C@H]1Cc2ccccc2CN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436618251 861871779 /nfs/dbraw/zinc/87/17/79/861871779.db2.gz KPIJRMOHQQPIQE-UUOWRZLLSA-N -1 3 414.505 4.227 20 0 HIADHM C=CCn1c(SCc2cc(=O)oc3cc([O-])c(CC)cc23)nc2ccccc2c1=O ZINC000036818757 848165681 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CC(=O)Nc1ccc([O-])c(C(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)c1 ZINC000055428068 850021742 /nfs/dbraw/zinc/02/17/42/850021742.db2.gz WNISRHDJWRAQHK-UHFFFAOYSA-N -1 3 415.902 4.366 20 0 HIADHM O=C(NCc1ccc(OC2CCCCC2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436905940 862083010 /nfs/dbraw/zinc/08/30/10/862083010.db2.gz POCROXNDJIUOCM-JOCHJYFZSA-N -1 3 422.525 4.025 20 0 HIADHM Cc1cccc(CN(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436911206 862089148 /nfs/dbraw/zinc/08/91/48/862089148.db2.gz FHWZFTKBGWTXBZ-QHCPKHFHSA-N -1 3 402.494 4.220 20 0 HIADHM Cc1ccc(-c2csc3[n-]c(CC(=O)N[C@@H](C)c4ccccc4)nc(=O)c23)s1 ZINC000055490953 850038818 /nfs/dbraw/zinc/03/88/18/850038818.db2.gz JUGWYCJKCGPGJL-ZDUSSCGKSA-N -1 3 409.536 4.441 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cnc2ccccc2c1 ZINC000436909474 862086521 /nfs/dbraw/zinc/08/65/21/862086521.db2.gz AMSKUMNNVKIEEW-HSZRJFAPSA-N -1 3 411.461 4.440 20 0 HIADHM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1)C(C)=O ZINC000055587279 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O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(OC2CCCCC2)c1 ZINC000436945558 862122866 /nfs/dbraw/zinc/12/28/66/862122866.db2.gz ASFXTELGQHHEOJ-UHFFFAOYSA-N -1 3 422.525 4.138 20 0 HIADHM O=C(CCc1ccc(Cl)cc1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436947896 862125890 /nfs/dbraw/zinc/12/58/90/862125890.db2.gz VQBIHSPXBWVNND-UHFFFAOYSA-N -1 3 421.324 4.053 20 0 HIADHM CCCc1sc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1CC ZINC000436949675 862128705 /nfs/dbraw/zinc/12/87/05/862128705.db2.gz YQHYGGZPQYEAIJ-UHFFFAOYSA-N -1 3 400.544 4.003 20 0 HIADHM CCCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@@H]1CCc2ccccc21 ZINC000436955059 862135953 /nfs/dbraw/zinc/13/59/53/862135953.db2.gz CSWSWFKJHWFKMC-OAQYLSRUSA-N -1 3 419.481 4.481 20 0 HIADHM CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1cc(C)cc(C)c1 ZINC000056878323 850509079 /nfs/dbraw/zinc/50/90/79/850509079.db2.gz VHNTUYPYJXQZIA-UHFFFAOYSA-N -1 3 415.490 4.238 20 0 HIADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436958418 862138182 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20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC[C@H](C)c3ccccc3)cs2)c1 ZINC000436980758 862159790 /nfs/dbraw/zinc/15/97/90/862159790.db2.gz RQCXKUSWTBGCQW-INIZCTEOSA-N -1 3 423.538 4.262 20 0 HIADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C)c(Cl)cc1Cl ZINC000058164084 850776138 /nfs/dbraw/zinc/77/61/38/850776138.db2.gz REEWBADTUBASMM-CHWSQXEVSA-N -1 3 421.390 4.475 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3ccc(C)cc3C)C2)c1 ZINC000436996714 862169598 /nfs/dbraw/zinc/16/95/98/862169598.db2.gz DYKZNXMQZIDDPR-KRWDZBQOSA-N -1 3 419.481 4.187 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(CO)(c2ccccc2)CC1 ZINC000437007211 862181502 /nfs/dbraw/zinc/18/15/02/862181502.db2.gz TWWLZRRBBDHXDW-UHFFFAOYSA-N -1 3 401.506 4.149 20 0 HIADHM CCc1cc2c(CSc3nc4ccsc4c(=O)n3CC)cc(=O)oc2cc1[O-] ZINC000058657157 850880936 /nfs/dbraw/zinc/88/09/36/850880936.db2.gz RRGQJPACYXNKHB-UHFFFAOYSA-N -1 3 414.508 4.145 20 0 HIADHM O=C1[N-][C@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cccc(C(F)(F)F)c1 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404.488 4.013 20 0 HIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)cc1 ZINC000063178874 851628391 /nfs/dbraw/zinc/62/83/91/851628391.db2.gz LLOHHCFMPGPYML-UHFFFAOYSA-N -1 3 418.515 4.009 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Oc4cccnc4)cc3)c2)n1 ZINC000063304194 851655630 /nfs/dbraw/zinc/65/56/30/851655630.db2.gz RVKDYKBSHLLYBZ-UHFFFAOYSA-N -1 3 412.449 4.439 20 0 HIADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=S)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000063875340 851783185 /nfs/dbraw/zinc/78/31/85/851783185.db2.gz HUJKDJXCJLXUDV-UHFFFAOYSA-N -1 3 415.346 4.060 20 0 HIADHM Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064342585 851875764 /nfs/dbraw/zinc/87/57/64/851875764.db2.gz JXCSWTNDTKPSBF-UHFFFAOYSA-N -1 3 402.479 4.430 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4ccc(Br)cc4[nH]3)cc2)n1 ZINC000064374494 851881500 /nfs/dbraw/zinc/88/15/00/851881500.db2.gz DVYAUVKKWLPWEZ-UHFFFAOYSA-N -1 3 423.270 4.241 20 0 HIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000064478398 851909354 /nfs/dbraw/zinc/90/93/54/851909354.db2.gz QWEVPKKTCZBAPV-UHFFFAOYSA-N -1 3 414.458 4.164 20 0 HIADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000065753203 852245242 /nfs/dbraw/zinc/24/52/42/852245242.db2.gz UMAMYXRYLQPNIF-LJQANCHMSA-N -1 3 405.841 4.135 20 0 HIADHM CC[C@@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccc(C)cc1 ZINC000065753045 852245309 /nfs/dbraw/zinc/24/53/09/852245309.db2.gz ATQFABUIDNMKJG-QGZVFWFLSA-N -1 3 405.520 4.038 20 0 HIADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000065816582 852266885 /nfs/dbraw/zinc/26/68/85/852266885.db2.gz MEQQSZKHKZYPRR-UHFFFAOYSA-N -1 3 404.253 4.074 20 0 HIADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1cccs1 ZINC000069082798 852382768 /nfs/dbraw/zinc/38/27/68/852382768.db2.gz VJEOFAKQLCYKSQ-GFCCVEGCSA-N -1 3 412.886 4.002 20 0 HIADHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCCC1)c1cc(Cl)sc1Cl ZINC000069603946 852398791 /nfs/dbraw/zinc/39/87/91/852398791.db2.gz 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CC(=O)Nc1ccc(-c2csc(NC(=O)c3c[n-]c4ccccc4c3=O)n2)c(F)c1 ZINC000108831277 852884342 /nfs/dbraw/zinc/88/43/42/852884342.db2.gz ZGJAISOWVJUPCI-UHFFFAOYSA-N -1 3 422.441 4.001 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1 ZINC000109072373 852916901 /nfs/dbraw/zinc/91/69/01/852916901.db2.gz PSKTYBRJXMIYMU-UHFFFAOYSA-N -1 3 415.902 4.405 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000109188856 852933205 /nfs/dbraw/zinc/93/32/05/852933205.db2.gz ASPTYTWGTQNBLZ-INIZCTEOSA-N -1 3 416.481 4.039 20 0 HIADHM CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1Cl ZINC000111211425 853223478 /nfs/dbraw/zinc/22/34/78/853223478.db2.gz QCJKQWIFRKJTDN-UHFFFAOYSA-N -1 3 417.314 4.028 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(Oc4ccc(F)cc4)nc3)nc2)n1 ZINC000111227629 853228923 /nfs/dbraw/zinc/22/89/23/853228923.db2.gz OOOAVQRVHLGKEB-UHFFFAOYSA-N -1 3 417.444 4.333 20 0 HIADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000112677023 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411.299 4.138 20 0 HIADHM Cc1cc(-c2cc(C(=O)[N-]c3nnc(C(F)F)s3)c3c(C)noc3n2)c(C)o1 ZINC000144556966 853536450 /nfs/dbraw/zinc/53/64/50/853536450.db2.gz JEXZIZSFGXZQON-UHFFFAOYSA-N -1 3 405.386 4.449 20 0 HIADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000146340495 853567333 /nfs/dbraw/zinc/56/73/33/853567333.db2.gz SFZBSQXFDLOOFT-OAQYLSRUSA-N -1 3 411.417 4.228 20 0 HIADHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000146871155 853577766 /nfs/dbraw/zinc/57/77/66/853577766.db2.gz BFSKYOGENXZDNX-HNNXBMFYSA-N -1 3 405.382 4.179 20 0 HIADHM Cc1ccc(-c2ccc(CN(C(=O)Cc3c(C)nc(C)[n-]c3=O)C(C)C)s2)cc1 ZINC000149652364 853628788 /nfs/dbraw/zinc/62/87/88/853628788.db2.gz LAPZHLDDOKSBHP-UHFFFAOYSA-N -1 3 409.555 4.403 20 0 HIADHM CCc1cc2c(CSc3nnc(-c4ccccc4OC)n3C)cc(=O)oc2cc1[O-] ZINC000255933223 854221062 /nfs/dbraw/zinc/22/10/62/854221062.db2.gz HAOGFSYGFLMVJZ-UHFFFAOYSA-N -1 3 423.494 4.157 20 0 HIADHM O=c1[n-]nc(SCc2ccc(Oc3ccccc3F)c(F)c2)n1C[C@@H]1CCCO1 ZINC000261421642 854256493 /nfs/dbraw/zinc/25/64/93/854256493.db2.gz HXASMNCVPIIHPJ-AWEZNQCLSA-N -1 3 419.453 4.113 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1 ZINC000261447038 854265673 /nfs/dbraw/zinc/26/56/73/854265673.db2.gz KLJVVFZVEDJPIY-NSHDSACASA-N -1 3 413.474 4.413 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc(F)ccc3Br)nc2)n1 ZINC000301188871 854324033 /nfs/dbraw/zinc/32/40/33/854324033.db2.gz XDQOACSUOVZSNI-UHFFFAOYSA-N -1 3 403.255 4.320 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCN(c4ccc(F)cc4C)C3)nc2)n1 ZINC000301291944 854349401 /nfs/dbraw/zinc/34/94/01/854349401.db2.gz PPNQQCQBHGVDFG-LJQANCHMSA-N -1 3 407.493 4.335 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCCC[C@H]3C)c2)cc1 ZINC000301384513 854378845 /nfs/dbraw/zinc/37/88/45/854378845.db2.gz HIRDFNFPQFXZRX-IIBYNOLFSA-N -1 3 416.543 4.113 20 0 HIADHM Cc1nc(-c2ccc(N(C)Cc3cc(Br)ccc3F)nc2)[n-]c(=O)c1C ZINC000301394054 854380386 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HIADHM NC(=O)c1oc2ccccc2c1[N-]C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000302769984 854628579 /nfs/dbraw/zinc/62/85/79/854628579.db2.gz WSDFDVHJCGHUMD-UHFFFAOYSA-N -1 3 423.432 4.032 20 0 HIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCc3noc(C)n3)cc2)cc1 ZINC000303279581 854848426 /nfs/dbraw/zinc/84/84/26/854848426.db2.gz JQDDSSLOPDXFOQ-CQSZACIVSA-N -1 3 401.488 4.271 20 0 HIADHM Cc1ccccc1COc1cccc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000303300951 854860166 /nfs/dbraw/zinc/86/01/66/854860166.db2.gz PYIGWSSDJOKFHD-UHFFFAOYSA-N -1 3 424.522 4.127 20 0 HIADHM CCCO[C@H]1CCCN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)CC1 ZINC000303385107 854902890 /nfs/dbraw/zinc/90/28/90/854902890.db2.gz NKVFVPAQBLOKHW-GJZGRUSLSA-N -1 3 421.563 4.224 20 0 HIADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)c1C ZINC000303430499 854931611 /nfs/dbraw/zinc/93/16/11/854931611.db2.gz DLPTZQKJIZQVQW-UHFFFAOYSA-N -1 3 423.600 4.434 20 0 HIADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(NC(=O)c2cccs2)c1 ZINC000303546283 855032812 /nfs/dbraw/zinc/03/28/12/855032812.db2.gz JAZBYOTWFCHORT-UHFFFAOYSA-N -1 3 421.478 4.128 20 0 HIADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2c(F)cc(Br)cc2F)c1 ZINC000321596844 855390068 /nfs/dbraw/zinc/39/00/68/855390068.db2.gz VAYQPUBSHOLYTH-UHFFFAOYSA-N -1 3 424.650 4.037 20 0 HIADHM O=S(=O)([N-][C@H](c1ccco1)c1ccccc1)c1ccc(Br)cc1F ZINC000326249407 855408583 /nfs/dbraw/zinc/40/85/83/855408583.db2.gz USYYTAQNGPJZCF-KRWDZBQOSA-N -1 3 410.264 4.249 20 0 HIADHM CCCOc1c(Br)cc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000327622845 855419207 /nfs/dbraw/zinc/41/92/07/855419207.db2.gz OQLHCWNMOGMRBP-QGZVFWFLSA-N -1 3 408.292 4.162 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(I)c2C)c(C)c1 ZINC000383500070 855438124 /nfs/dbraw/zinc/43/81/24/855438124.db2.gz ZPDUOTVPMOQBKV-UHFFFAOYSA-N -1 3 401.269 4.017 20 0 HIADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cc(Br)ccc2C)c1 ZINC000383924414 855439487 /nfs/dbraw/zinc/43/94/87/855439487.db2.gz SVLXNFJDMIMNKF-UHFFFAOYSA-N -1 3 420.126 4.024 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(Br)cn3C(C)C)cc2)n1 ZINC000409619671 855567424 /nfs/dbraw/zinc/56/74/24/855567424.db2.gz GALHPTJVTSSUJR-UHFFFAOYSA-N -1 3 415.291 4.143 20 0 HIADHM Cc1nc(-c2cccc(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)c2)cs1 ZINC000409648901 855582027 /nfs/dbraw/zinc/58/20/27/855582027.db2.gz WLHSQCMMNJRZOG-UHFFFAOYSA-N -1 3 402.479 4.430 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)O[C@@H](c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000409772141 855645862 /nfs/dbraw/zinc/64/58/62/855645862.db2.gz MJRBTZMRTAAVBD-QVKFZJNVSA-N -1 3 404.470 4.152 20 0 HIADHM O=S(=O)([N-]c1cc(F)c(Br)cc1Cl)c1cc(F)cc(F)c1 ZINC000410396454 855971770 /nfs/dbraw/zinc/97/17/70/855971770.db2.gz HHOSGHWWNZMGMY-UHFFFAOYSA-N -1 3 400.603 4.321 20 0 HIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)C3(C)CCC3)c2)cc1 ZINC000426031172 856059052 /nfs/dbraw/zinc/05/90/52/856059052.db2.gz QSJSNAYSWNZCCF-UHFFFAOYSA-N -1 3 418.515 4.023 20 0 HIADHM CC(C)c1ccoc1-c1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000426207416 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20 0 HIADHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(-c2cccc(Br)c2)s1 ZINC000426748073 856452527 /nfs/dbraw/zinc/45/25/27/856452527.db2.gz UPNNDTQWVDZLAG-KRWDZBQOSA-N -1 3 423.376 4.206 20 0 HIADHM O=C([O-])[C@H](Cc1cccc(Br)c1)NCc1nc(-c2ccccc2)cs1 ZINC000426747876 856452625 /nfs/dbraw/zinc/45/26/25/856452625.db2.gz SLSAHSHTCNMZKL-INIZCTEOSA-N -1 3 417.328 4.358 20 0 HIADHM CC(C)OC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000437423335 862799959 /nfs/dbraw/zinc/79/99/59/862799959.db2.gz UAQPOSZMBQRIOE-UHFFFAOYSA-N -1 3 404.875 4.254 20 0 HIADHM O=C([O-])[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(O)cc1 ZINC000426781720 856475927 /nfs/dbraw/zinc/47/59/27/856475927.db2.gz CZLYFKSGRRKJRO-HXUWFJFHSA-N -1 3 410.857 4.213 20 0 HIADHM COc1cc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)ccc1SC ZINC000426807861 856490098 /nfs/dbraw/zinc/49/00/98/856490098.db2.gz JLMYSWUSODRUAF-OAHLLOKOSA-N -1 3 410.333 4.485 20 0 HIADHM O=C([O-])C[C@H](NCc1ccc(OC(F)F)cc1)c1cccc(Br)c1 ZINC000426816758 856495332 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CC(=O)Nc1ccc2nc([N-]C(=O)c3cc(-c4ccc5c(c4)CCO5)no3)sc2c1 ZINC000433761354 859881593 /nfs/dbraw/zinc/88/15/93/859881593.db2.gz AERIZCQOWNMQFZ-UHFFFAOYSA-N -1 3 420.450 4.097 20 0 HIADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)s1 ZINC000467765913 881582834 /nfs/dbraw/zinc/58/28/34/881582834.db2.gz CANXNGAACKWFND-UHFFFAOYSA-N -1 3 424.617 4.221 20 0 HIADHM CCCOc1ccccc1[C@H](CC(C)C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000467769769 881587872 /nfs/dbraw/zinc/58/78/72/881587872.db2.gz KHPVSYQRDPHFJG-IBGZPJMESA-N -1 3 409.486 4.268 20 0 HIADHM O=S(=O)([N-][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1cc(F)ccc1Br ZINC000435595771 860902606 /nfs/dbraw/zinc/90/26/06/860902606.db2.gz FMWGBXGSKKCLJK-YPFXGUDJSA-N -1 3 420.250 4.091 20 0 HIADHM COc1ccc(NC(=O)c2coc(C)c2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000435822504 861086478 /nfs/dbraw/zinc/08/64/78/861086478.db2.gz QNYOSONVTRFGTF-UHFFFAOYSA-N -1 3 420.874 4.303 20 0 HIADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc(Cl)cc(Br)c1F ZINC000435917470 861178777 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420.398 4.118 20 0 HIADHM C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@H]1c1ccccc1 ZINC000464534294 877751051 /nfs/dbraw/zinc/75/10/51/877751051.db2.gz XFCIGCGSAQOXET-KSFYIVLOSA-N -1 3 424.497 4.460 20 0 HIADHM CCSc1cccc(Br)c1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000464716106 877942868 /nfs/dbraw/zinc/94/28/68/877942868.db2.gz YYJABEAYQUPBHQ-UHFFFAOYSA-N -1 3 410.337 4.245 20 0 HIADHM CCCn1ccc2ccc(NC(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)cc21 ZINC000465146360 878527067 /nfs/dbraw/zinc/52/70/67/878527067.db2.gz LLNUCDNEHGOVMZ-UHFFFAOYSA-N -1 3 415.497 4.076 20 0 HIADHM CCOc1c(Br)cc(Cl)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503481763 912526876 /nfs/dbraw/zinc/52/68/76/912526876.db2.gz GKOUINIPRFKKII-UHFFFAOYSA-N -1 3 413.634 4.164 20 0 HIADHM O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1ccccc1-c1ccno1 ZINC000466473089 880255066 /nfs/dbraw/zinc/25/50/66/880255066.db2.gz JPQLXKQIWJRMIW-UHFFFAOYSA-N -1 3 415.215 4.183 20 0 HIADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000466531274 880307175 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AXGIYGRJRGOJEG-UHFFFAOYSA-N -1 3 414.309 4.323 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(COC(C)(C)C)on2)c1Cl ZINC000485961614 901178929 /nfs/dbraw/zinc/17/89/29/901178929.db2.gz YVGNFXWLLKSLGA-UHFFFAOYSA-N -1 3 407.319 4.083 20 0 HIADHM O=C1Nc2ccc(S(=O)(=O)[N-][C@@H](c3ccc(F)cc3)C(F)(F)F)c3cccc1c23 ZINC000485995852 901213354 /nfs/dbraw/zinc/21/33/54/901213354.db2.gz KJLHIXYRQORKQX-KRWDZBQOSA-N -1 3 424.375 4.127 20 0 HIADHM COc1cc([C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)ccc1OCCC(C)C ZINC000486047801 901247622 /nfs/dbraw/zinc/24/76/22/901247622.db2.gz XHZOGIPMCUPPNJ-MRXNPFEDSA-N -1 3 408.498 4.453 20 0 HIADHM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc(Br)c([O-])c1 ZINC000486273676 901456196 /nfs/dbraw/zinc/45/61/96/901456196.db2.gz VSFXKKKLWWVPPS-UHFFFAOYSA-N -1 3 421.360 4.264 20 0 HIADHM CCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@H](C)c1cccc(OC)c1 ZINC000486421079 901579484 /nfs/dbraw/zinc/57/94/84/901579484.db2.gz BSSPBCLTRHNGRT-CYBMUJFWSA-N -1 3 407.308 4.456 20 0 HIADHM CN(C)c1cccc([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000486424682 901582415 /nfs/dbraw/zinc/58/24/15/901582415.db2.gz NNVRHJSNYOHPJN-SFHVURJKSA-N -1 3 418.335 4.267 20 0 HIADHM CN(CCOc1ccc(Cl)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486430168 901590071 /nfs/dbraw/zinc/59/00/71/901590071.db2.gz OOUQLWJRYKLALQ-UHFFFAOYSA-N -1 3 413.699 4.029 20 0 HIADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486629097 901763493 /nfs/dbraw/zinc/76/34/93/901763493.db2.gz LZLJPWZTEHCUMZ-SWLSCSKDSA-N -1 3 407.283 4.381 20 0 HIADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n[nH]1 ZINC000486649132 901772685 /nfs/dbraw/zinc/77/26/85/901772685.db2.gz GEOGHRXAUZYZRZ-IUCAKERBSA-N -1 3 410.849 4.030 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)cc1Cl ZINC000486694290 901798318 /nfs/dbraw/zinc/79/83/18/901798318.db2.gz MARJDTHCAADYRI-HOTGVXAUSA-N -1 3 424.925 4.442 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000486719272 901811299 /nfs/dbraw/zinc/81/12/99/901811299.db2.gz BUMLSVSSKULFFJ-JOCHJYFZSA-N -1 3 416.525 4.217 20 0 HIADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccnc(Oc3ccccc3F)c2)cc1F ZINC000486871403 901916696 /nfs/dbraw/zinc/91/66/96/901916696.db2.gz YOFKIAQUZOKVAG-UHFFFAOYSA-N -1 3 408.401 4.078 20 0 HIADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)C)c2)c(C)c1C ZINC000487349721 902156276 /nfs/dbraw/zinc/15/62/76/902156276.db2.gz CEHAEMIFJAZDIG-UHFFFAOYSA-N -1 3 423.600 4.353 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3cccc(C)c3)c2)cc1 ZINC000487646288 902271893 /nfs/dbraw/zinc/27/18/93/902271893.db2.gz PEVYJNPFFYCPNA-UHFFFAOYSA-N -1 3 424.522 4.043 20 0 HIADHM Cc1c(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)sc2nccn12 ZINC000488297644 902758703 /nfs/dbraw/zinc/75/87/03/902758703.db2.gz UWCKKKPTFCHNOE-UHFFFAOYSA-N -1 3 420.317 4.238 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCCOc2c(F)cccc21 ZINC000488605291 902896672 /nfs/dbraw/zinc/89/66/72/902896672.db2.gz BBPGNDWRLYOENB-HNNXBMFYSA-N -1 3 409.255 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933756856 /nfs/dbraw/zinc/75/68/56/933756856.db2.gz YZTDCCISLCCOBQ-UHFFFAOYSA-N -1 3 414.527 4.460 20 0 HIADHM COCCc1nc2cc([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)ccc2o1 ZINC000562487979 945088346 /nfs/dbraw/zinc/08/83/46/945088346.db2.gz YURUTKSAGPWASM-UHFFFAOYSA-N -1 3 415.298 4.265 20 0 HIADHM O=C(CCn1c2ccccc2nc1C1CC1)Nc1ccc(Br)cc1[O-] ZINC000538756567 938703322 /nfs/dbraw/zinc/70/33/22/938703322.db2.gz LLWYAOUJRKMZEE-UHFFFAOYSA-N -1 3 400.276 4.411 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)cc1C ZINC000538849642 938724723 /nfs/dbraw/zinc/72/47/23/938724723.db2.gz MZFPINBRLPJGFN-UHFFFAOYSA-N -1 3 400.525 4.492 20 0 HIADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc1 ZINC000539115600 938804928 /nfs/dbraw/zinc/80/49/28/938804928.db2.gz XJWLZMMCCVBTOK-UHFFFAOYSA-N -1 3 416.474 4.388 20 0 HIADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000539238735 938823734 /nfs/dbraw/zinc/82/37/34/938823734.db2.gz OKEHVADKXMDBBQ-UHFFFAOYSA-N -1 3 401.459 4.352 20 0 HIADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1c(Cl)cccc1Cl ZINC000539384591 938852382 /nfs/dbraw/zinc/85/23/82/938852382.db2.gz IVPCQVITXQLHTF-GJZGRUSLSA-N -1 3 408.253 4.080 20 0 HIADHM Cc1nc(C)c(CC(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000539578187 938882471 /nfs/dbraw/zinc/88/24/71/938882471.db2.gz JMXAZENAYQSFGW-AEFFLSMTSA-N -1 3 407.436 4.155 20 0 HIADHM COCc1noc(CS[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000539625349 938889635 /nfs/dbraw/zinc/88/96/35/938889635.db2.gz MVPWVOVRWHWUFB-VIFPVBQESA-N -1 3 404.473 4.181 20 0 HIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H](C)C(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000539683885 938900517 /nfs/dbraw/zinc/90/05/17/938900517.db2.gz MKBUXXPKZDRNMO-CYBMUJFWSA-N -1 3 409.873 4.246 20 0 HIADHM CCCc1nc2ccccc2n1CCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000539842514 938955255 /nfs/dbraw/zinc/95/52/55/938955255.db2.gz HTGPWMGHEOHWKL-UHFFFAOYSA-N -1 3 415.497 4.076 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2ccc(Br)cn2)CC1 ZINC000539900214 938973015 /nfs/dbraw/zinc/97/30/15/938973015.db2.gz RVNOHZLCSJWIKR-UHFFFAOYSA-N -1 3 424.726 4.054 20 0 HIADHM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1Br ZINC000540338675 939199671 /nfs/dbraw/zinc/19/96/71/939199671.db2.gz VBQLRWKSFSLQAJ-UHFFFAOYSA-N -1 3 411.321 4.134 20 0 HIADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1cccc(N2CCCC2=O)c1 ZINC000540409824 939238479 /nfs/dbraw/zinc/23/84/79/939238479.db2.gz NANSFFYLTVMVJH-AWEZNQCLSA-N -1 3 402.454 4.059 20 0 HIADHM COc1cc(Br)c(S(=O)(=O)[N-]c2cccc(C)c2F)cc1Cl ZINC000540497193 939277018 /nfs/dbraw/zinc/27/70/18/939277018.db2.gz LFKCFHGRNONMAA-UHFFFAOYSA-N -1 3 408.676 4.359 20 0 HIADHM COc1cc(Br)c([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1OC ZINC000540498831 939277652 /nfs/dbraw/zinc/27/76/52/939277652.db2.gz OSSVBUKMHYWNIJ-UHFFFAOYSA-N -1 3 420.712 4.229 20 0 HIADHM Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cnc1N1CCCC[C@@H]1C ZINC000540958050 939420821 /nfs/dbraw/zinc/42/08/21/939420821.db2.gz YOLWWFUVGLMGAK-HNNXBMFYSA-N -1 3 408.477 4.310 20 0 HIADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)C2)C1 ZINC000541045951 939440705 /nfs/dbraw/zinc/44/07/05/939440705.db2.gz ZBYBOOLXXQNOMY-KSFYIVLOSA-N -1 3 416.518 4.279 20 0 HIADHM Cc1ccc(NC(=O)[C@H]2CCCCS2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000541237688 939487068 /nfs/dbraw/zinc/48/70/68/939487068.db2.gz JMURMXNNICAUOZ-QGZVFWFLSA-N -1 3 408.520 4.159 20 0 HIADHM COC(=O)c1cc(C)nc2nc(S[C@@H]3CCc4ccc(Cl)cc43)[n-]c(=O)c21 ZINC000541295561 939489857 /nfs/dbraw/zinc/48/98/57/939489857.db2.gz SGKZGAZWKLKQGA-CQSZACIVSA-N -1 3 401.875 4.258 20 0 HIADHM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c(Cl)c1 ZINC000541306419 939490418 /nfs/dbraw/zinc/49/04/18/939490418.db2.gz KVQAFMMEXONALL-UHFFFAOYSA-N -1 3 423.853 4.034 20 0 HIADHM Cc1ncc(CNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)c(=O)[n-]1 ZINC000541469500 939528646 /nfs/dbraw/zinc/52/86/46/939528646.db2.gz DMIDSRAOBKVBBI-UHFFFAOYSA-N -1 3 406.817 4.120 20 0 HIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000541488346 939533803 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ZINC000436532355 861838564 /nfs/dbraw/zinc/83/85/64/861838564.db2.gz XPMYKBWGGSHRDI-NHTMILBNSA-N -1 3 414.505 4.001 20 0 HIADHM Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436551670 861847519 /nfs/dbraw/zinc/84/75/19/861847519.db2.gz QOMXTZQKGVJYFT-UHFFFAOYSA-N -1 3 411.479 4.290 20 0 HIADHM CCN(C(=O)c1cc2c(cc1[O-])OCO2)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000436549781 861846850 /nfs/dbraw/zinc/84/68/50/861846850.db2.gz WZMJJUHFYOPHGA-OAQYLSRUSA-N -1 3 412.392 4.046 20 0 HIADHM O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(C(=O)c1ccccc1[O-])C2 ZINC000436552820 861848505 /nfs/dbraw/zinc/84/85/05/861848505.db2.gz CZVVZGGNPHNFCR-UHFFFAOYSA-N -1 3 405.429 4.374 20 0 HIADHM CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436553770 861848663 /nfs/dbraw/zinc/84/86/63/861848663.db2.gz CPRUXDLJSUUTND-KRWDZBQOSA-N -1 3 406.486 4.377 20 0 HIADHM O=C(Nc1ccccc1F)Nc1cccc2c1CCN(C(=O)c1ccccc1[O-])C2 ZINC000436556105 861849584 /nfs/dbraw/zinc/84/95/84/861849584.db2.gz OQBWYKCBJULDMD-UHFFFAOYSA-N -1 3 405.429 4.374 20 0 HIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)ccc1F ZINC000031895302 847962888 /nfs/dbraw/zinc/96/28/88/847962888.db2.gz WLKGOXXEAOVNQM-CQSZACIVSA-N -1 3 422.547 4.044 20 0 HIADHM C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(F)cc1F ZINC000436557492 861850945 /nfs/dbraw/zinc/85/09/45/861850945.db2.gz RKHNFACVYWTTGC-IVZQSRNASA-N -1 3 424.447 4.409 20 0 HIADHM COc1ccc(C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)c([O-])c1 ZINC000436559338 861851493 /nfs/dbraw/zinc/85/14/93/861851493.db2.gz UTVAJPBYWVIVDF-UHFFFAOYSA-N -1 3 417.868 4.123 20 0 HIADHM O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[O-])Nc1ccccc1F ZINC000436562695 861853208 /nfs/dbraw/zinc/85/32/08/861853208.db2.gz NQRSQOJLUCUSHQ-UHFFFAOYSA-N -1 3 412.848 4.466 20 0 HIADHM COc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c([O-])c1 ZINC000436570484 861856271 /nfs/dbraw/zinc/85/62/71/861856271.db2.gz QVQQXPWOVHSSHM-UHFFFAOYSA-N -1 3 413.477 4.243 20 0 HIADHM CCN(C[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1)CC(F)(F)F ZINC000436572663 861856593 /nfs/dbraw/zinc/85/65/93/861856593.db2.gz FJCXDQZPDUEAMC-LJQANCHMSA-N -1 3 420.475 4.329 20 0 HIADHM COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436572719 861856604 /nfs/dbraw/zinc/85/66/04/861856604.db2.gz GDRHMNQGGUSTHT-UHFFFAOYSA-N -1 3 406.438 4.147 20 0 HIADHM O=C(Nc1ccc(C2=NNC(=O)CC2)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436572875 861856743 /nfs/dbraw/zinc/85/67/43/861856743.db2.gz HWFUHYWUHVUMHU-UHFFFAOYSA-N -1 3 401.422 4.051 20 0 HIADHM O=C(NCc1cccc(CN2CCCC2=O)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436580849 861859013 /nfs/dbraw/zinc/85/90/13/861859013.db2.gz XXADVUDVPUFZRH-UHFFFAOYSA-N -1 3 414.505 4.035 20 0 HIADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccn2)c(Cl)cc1Cl ZINC000032732275 848069308 /nfs/dbraw/zinc/06/93/08/848069308.db2.gz OHIXNKMSMCDPRZ-NSHDSACASA-N -1 3 416.330 4.108 20 0 HIADHM CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436593685 861862046 /nfs/dbraw/zinc/86/20/46/861862046.db2.gz CFIISUBTTGBCNQ-UHFFFAOYSA-N -1 3 402.494 4.256 20 0 HIADHM O=C(COC(=O)CSc1cccc2cccc(Cl)c21)[N-]C(=O)c1cccs1 ZINC000032850122 848082289 /nfs/dbraw/zinc/08/22/89/848082289.db2.gz NUPKZULHRGVMPB-UHFFFAOYSA-N -1 3 419.911 4.147 20 0 HIADHM CCNC(=O)NC1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCCC1 ZINC000436602075 861864884 /nfs/dbraw/zinc/86/48/84/861864884.db2.gz JRUUTMMZSFLECH-UHFFFAOYSA-N -1 3 424.526 4.239 20 0 HIADHM C[C@H]1CCC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000033097953 848108788 /nfs/dbraw/zinc/10/87/88/848108788.db2.gz PCQXVXUHCZLWKQ-RDJZCZTQSA-N -1 3 404.507 4.277 20 0 HIADHM O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436606997 861867582 /nfs/dbraw/zinc/86/75/82/861867582.db2.gz QXBYSDJUENTOEM-UHFFFAOYSA-N -1 3 421.453 4.063 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)Cc3ccco3)c2)cc1 ZINC000033206753 848125550 /nfs/dbraw/zinc/12/55/50/848125550.db2.gz MSWRGUJKATXGHC-QGZVFWFLSA-N -1 3 412.511 4.058 20 0 HIADHM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436610287 861869205 /nfs/dbraw/zinc/86/92/05/861869205.db2.gz UGBQCBRWOQHVFB-GOSISDBHSA-N -1 3 422.481 4.067 20 0 HIADHM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436617519 861871609 /nfs/dbraw/zinc/87/16/09/861871609.db2.gz NWVSYLVRBXIJFJ-IBGZPJMESA-N -1 3 422.569 4.190 20 0 HIADHM C[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436618186 861871863 /nfs/dbraw/zinc/87/18/63/861871863.db2.gz KPIJRMOHQQPIQE-HOYKHHGWSA-N -1 3 414.505 4.227 20 0 HIADHM CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(OC)cc1 ZINC000436618526 861872025 /nfs/dbraw/zinc/87/20/25/861872025.db2.gz RXLDNWGUOIJLFF-HSZRJFAPSA-N -1 3 418.493 4.315 20 0 HIADHM CC(C)(NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccs1 ZINC000436618980 861872760 /nfs/dbraw/zinc/87/27/60/861872760.db2.gz NHEFJQOYBZSIFY-IBGZPJMESA-N -1 3 408.523 4.366 20 0 HIADHM C[C@@H]1Cc2ccccc2N1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436626286 861874553 /nfs/dbraw/zinc/87/45/53/861874553.db2.gz QZWXMQTVKBKPFB-VGSWGCGISA-N -1 3 400.478 4.231 20 0 HIADHM CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1OC ZINC000436626710 861874584 /nfs/dbraw/zinc/87/45/84/861874584.db2.gz QLGXNLINRVWABX-OAQYLSRUSA-N -1 3 418.493 4.315 20 0 HIADHM Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cn2)cc1 ZINC000436628049 861875329 /nfs/dbraw/zinc/87/53/29/861875329.db2.gz ZYHJUEZMOLMJNU-FQEVSTJZSA-N -1 3 417.465 4.131 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)CCc3ccccc3)cs2)c1 ZINC000436633452 861876827 /nfs/dbraw/zinc/87/68/27/861876827.db2.gz BMGDUPVKCXYAJY-INIZCTEOSA-N -1 3 423.538 4.089 20 0 HIADHM O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436636364 861877614 /nfs/dbraw/zinc/87/76/14/861877614.db2.gz QILPGHHWGDERHD-JOCHJYFZSA-N -1 3 416.477 4.106 20 0 HIADHM CCOc1ccc(CCC2CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)CC2)cc1 ZINC000436638463 861878354 /nfs/dbraw/zinc/87/83/54/861878354.db2.gz DZKURUUSMVYNCJ-UHFFFAOYSA-N -1 3 413.514 4.293 20 0 HIADHM O=C(Nc1ccccc1F)Nc1cccc2c1CCN(C(=O)c1c([O-])cccc1O)C2 ZINC000436647426 861881197 /nfs/dbraw/zinc/88/11/97/861881197.db2.gz KOKNJIWUEWWFDH-UHFFFAOYSA-N -1 3 421.428 4.079 20 0 HIADHM COc1cc(-c2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)cc(OC)c1[O-] ZINC000436658127 861883944 /nfs/dbraw/zinc/88/39/44/861883944.db2.gz NMTOWLJERIQCBC-UHFFFAOYSA-N -1 3 421.438 4.126 20 0 HIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000436656318 861884056 /nfs/dbraw/zinc/88/40/56/861884056.db2.gz MSZSVCKXPSZIPM-RUZDIDTESA-N -1 3 403.478 4.351 20 0 HIADHM COc1cc([C@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])ccc1OCCC(C)C ZINC000436658501 861884265 /nfs/dbraw/zinc/88/42/65/861884265.db2.gz LVDUURYWAYRRIZ-HNNXBMFYSA-N -1 3 414.502 4.275 20 0 HIADHM CCCCOc1cccc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000436675355 861890868 /nfs/dbraw/zinc/89/08/68/861890868.db2.gz UVYVCQYJCMHZTQ-UHFFFAOYSA-N -1 3 423.469 4.050 20 0 HIADHM COc1cc(-c2nc(Cc3csc(-c4ccc(C)cc4)n3)no2)cc(OC)c1[O-] ZINC000436689970 861894512 /nfs/dbraw/zinc/89/45/12/861894512.db2.gz PNFBCRLOICLEGA-UHFFFAOYSA-N -1 3 409.467 4.482 20 0 HIADHM COc1ccc(OC)c([C@H](O)CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000042657068 848339232 /nfs/dbraw/zinc/33/92/32/848339232.db2.gz WNMAOVOKYDNGND-OAHLLOKOSA-N -1 3 407.492 4.264 20 0 HIADHM COc1cc(-c2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)cc(OC)c1[O-] ZINC000436687464 861894576 /nfs/dbraw/zinc/89/45/76/861894576.db2.gz LCJDJFBRIKUHKB-UHFFFAOYSA-N -1 3 416.796 4.105 20 0 HIADHM COc1cc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)cc(OC)c1[O-] ZINC000436691067 861895359 /nfs/dbraw/zinc/89/53/59/861895359.db2.gz RTRDXKGNMWJNFD-UHFFFAOYSA-N -1 3 405.410 4.100 20 0 HIADHM O=C(NCc1cccc(C(F)(F)F)c1)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000043077993 848381930 /nfs/dbraw/zinc/38/19/30/848381930.db2.gz CLNUVPVIJATLQG-UHFFFAOYSA-N -1 3 406.191 4.156 20 0 HIADHM CC(C)[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1 ZINC000436702307 861897614 /nfs/dbraw/zinc/89/76/14/861897614.db2.gz COHKTJSULPETEO-NRFANRHFSA-N -1 3 414.933 4.206 20 0 HIADHM C[C@@H](OCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1nccn1C ZINC000436705428 861898065 /nfs/dbraw/zinc/89/80/65/861898065.db2.gz NIDAHVHMQLCWGN-CYBMUJFWSA-N -1 3 408.483 4.119 20 0 HIADHM O=C(Nc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000436709967 861898525 /nfs/dbraw/zinc/89/85/25/861898525.db2.gz QAVAMCROPGPAIF-UHFFFAOYSA-N -1 3 408.364 4.051 20 0 HIADHM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1Oc1cccnc1 ZINC000436711585 861899850 /nfs/dbraw/zinc/89/98/50/861899850.db2.gz AGINBDNDPQFMEH-HXUWFJFHSA-N -1 3 417.465 4.131 20 0 HIADHM CC1(C)Cc2ccc(C(=O)Nc3cccc4c3CN(c3nccs3)C4)c([O-])c2O1 ZINC000436721467 861907569 /nfs/dbraw/zinc/90/75/69/861907569.db2.gz IFZDKLVJQBZAHG-UHFFFAOYSA-N -1 3 407.495 4.335 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=S)Nc2ccccc2F)CC1 ZINC000044232631 848535328 /nfs/dbraw/zinc/53/53/28/848535328.db2.gz 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419.506 4.055 20 0 HIADHM Cn1c2cc([O-])c(NC(=O)c3cc(-c4ccccc4)ccc3Cl)cc2n(C)c1=O ZINC000461630950 874788378 /nfs/dbraw/zinc/78/83/78/874788378.db2.gz ZXRXILIDTQPSCU-UHFFFAOYSA-N -1 3 407.857 4.155 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nc(C(C)C)c(C)s2)s1 ZINC000462137527 875236564 /nfs/dbraw/zinc/23/65/64/875236564.db2.gz FVBMNYVGLOUMCV-UHFFFAOYSA-N -1 3 409.396 4.186 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2c(C)[nH]c3ccccc32)s1 ZINC000462170524 875266386 /nfs/dbraw/zinc/26/63/86/875266386.db2.gz WSOLVDFOXJOWEC-UHFFFAOYSA-N -1 3 413.362 4.130 20 0 HIADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468883217 882921755 /nfs/dbraw/zinc/92/17/55/882921755.db2.gz HWRNNRUEAKKRCM-KRWDZBQOSA-N -1 3 404.913 4.459 20 0 HIADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468883784 882923358 /nfs/dbraw/zinc/92/33/58/882923358.db2.gz HWRNNRUEAKKRCM-QGZVFWFLSA-N -1 3 404.913 4.459 20 0 HIADHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000462295835 875417901 /nfs/dbraw/zinc/41/79/01/875417901.db2.gz IFGDYXFWPWPZLM-GFCCVEGCSA-N -1 3 405.413 4.325 20 0 HIADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)o1 ZINC000462304530 875424979 /nfs/dbraw/zinc/42/49/79/875424979.db2.gz DTTBAXPHXCAGDS-NRFANRHFSA-N -1 3 415.511 4.087 20 0 HIADHM C[C@H]1CCCN(c2cc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)ccn2)C1 ZINC000462308785 875430498 /nfs/dbraw/zinc/43/04/98/875430498.db2.gz AIISNXLVIFAISA-AWEZNQCLSA-N -1 3 402.458 4.102 20 0 HIADHM C[C@H]1CCCN(c2cc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)ccn2)C1 ZINC000462308785 875430502 /nfs/dbraw/zinc/43/05/02/875430502.db2.gz AIISNXLVIFAISA-AWEZNQCLSA-N -1 3 402.458 4.102 20 0 HIADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000462406382 875513272 /nfs/dbraw/zinc/51/32/72/875513272.db2.gz BOPXHHGNPGOQOW-CQSZACIVSA-N -1 3 411.804 4.164 20 0 HIADHM CO[C@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)c1ccc(Cl)cc1 ZINC000462410313 875517462 /nfs/dbraw/zinc/51/74/62/875517462.db2.gz OHSVGYYGMISFOF-CYBMUJFWSA-N -1 3 424.769 4.138 20 0 HIADHM COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1Cl ZINC000462458746 875566290 /nfs/dbraw/zinc/56/62/90/875566290.db2.gz KTVROFVLAYCHLC-IUCAKERBSA-N -1 3 406.253 4.401 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2(C)CCCC2)c(Br)c1 ZINC000462552779 875677325 /nfs/dbraw/zinc/67/73/25/875677325.db2.gz NZUFPTHAVDBFMN-UHFFFAOYSA-N -1 3 411.159 4.131 20 0 HIADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccccc2)C1)c1cc(C(F)(F)F)ccc1F ZINC000462673331 875770102 /nfs/dbraw/zinc/77/01/02/875770102.db2.gz FQMLNPKDQCKDQN-GOEBONIOSA-N -1 3 403.397 4.043 20 0 HIADHM CO[C@@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)c1cccc(Cl)c1 ZINC000462677377 875773641 /nfs/dbraw/zinc/77/36/41/875773641.db2.gz MCRQMQGHUSCTFL-ZDUSSCGKSA-N -1 3 424.769 4.138 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2Cl)s1 ZINC000462710336 875793103 /nfs/dbraw/zinc/79/31/03/875793103.db2.gz FETBNHAWFPYQND-SECBINFHSA-N -1 3 424.769 4.218 20 0 HIADHM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468927081 882988112 /nfs/dbraw/zinc/98/81/12/882988112.db2.gz JMDKZADRYIIAGP-UHFFFAOYSA-N -1 3 412.383 4.093 20 0 HIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCSC2)cc1 ZINC000463465438 876525286 /nfs/dbraw/zinc/52/52/86/876525286.db2.gz YGCWKRKKTIVAKY-INIZCTEOSA-N -1 3 404.557 4.186 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnc(N4CCC[C@@H](C)C4)c3)c2)n1 ZINC000463586499 876692369 /nfs/dbraw/zinc/69/23/69/876692369.db2.gz BFNNPVBKSUTYND-MRXNPFEDSA-N -1 3 417.513 4.295 20 0 HIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000469022633 883089041 /nfs/dbraw/zinc/08/90/41/883089041.db2.gz SMHWOUZRYRVUPL-LJQANCHMSA-N -1 3 422.294 4.217 20 0 HIADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC(C)(C)c1c(F)cccc1Cl ZINC000464136207 877299363 /nfs/dbraw/zinc/29/93/63/877299363.db2.gz BGBQCJRSFASTRE-UHFFFAOYSA-N -1 3 416.884 4.051 20 0 HIADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cc(Br)cs1 ZINC000464334821 877525741 /nfs/dbraw/zinc/52/57/41/877525741.db2.gz SJJSSJUKGWLODF-UHFFFAOYSA-N -1 3 414.737 4.859 20 0 HIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCCCC4)cc2)cc1 ZINC000464431952 877643772 /nfs/dbraw/zinc/64/37/72/877643772.db2.gz WZNRYFONSMUZQO-UHFFFAOYSA-N -1 3 424.570 4.349 20 0 HIADHM Cc1ccc(-n2c3ccc(C)cc3nc2NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000465212726 878626455 /nfs/dbraw/zinc/62/64/55/878626455.db2.gz BPFATMMRIPLJCY-UHFFFAOYSA-N -1 3 415.497 4.326 20 0 HIADHM Cc1c(F)cccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000465279582 878714486 /nfs/dbraw/zinc/71/44/86/878714486.db2.gz WUPGYZBAJFFOBU-UHFFFAOYSA-N -1 3 402.422 4.326 20 0 HIADHM CO[C@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccc(Cl)cc1 ZINC000466103208 879820036 /nfs/dbraw/zinc/82/00/36/879820036.db2.gz XBQIXYCKYGKRKI-LJQANCHMSA-N -1 3 412.877 4.320 20 0 HIADHM Cc1nc(-c2ccccc2Br)sc1[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000466817687 880591971 /nfs/dbraw/zinc/59/19/71/880591971.db2.gz UPRHCXHKPFICJX-VIFPVBQESA-N -1 3 415.320 4.094 20 0 HIADHM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1F)c1nc(C(F)(F)F)cs1 ZINC000466861629 880629950 /nfs/dbraw/zinc/62/99/50/880629950.db2.gz OQCUAXZMHBXMDM-UHFFFAOYSA-N -1 3 402.822 4.168 20 0 HIADHM Cc1nc(C)c(CCC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c(=O)[n-]1 ZINC000466907023 880674680 /nfs/dbraw/zinc/67/46/80/880674680.db2.gz USOCNBGXCZJYOW-UHFFFAOYSA-N -1 3 402.454 4.102 20 0 HIADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)OC)cc2)cc1 ZINC000467081507 880854029 /nfs/dbraw/zinc/85/40/29/880854029.db2.gz QGEPHMKPLVCNGI-UHFFFAOYSA-N -1 3 405.516 4.117 20 0 HIADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000467085495 880854850 /nfs/dbraw/zinc/85/48/50/880854850.db2.gz OHRMNPRRYKQCPT-UHFFFAOYSA-N -1 3 400.544 4.474 20 0 HIADHM O=c1[n-]c(CN2CCc3c(Br)cccc3C2)nc2c3ccccc3oc21 ZINC000503586218 912672055 /nfs/dbraw/zinc/67/20/55/912672055.db2.gz JCEFGVUZMXPXHU-UHFFFAOYSA-N -1 3 410.271 4.402 20 0 HIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3OCc3cccs3)nc21 ZINC000503602311 912693921 /nfs/dbraw/zinc/69/39/21/912693921.db2.gz SEYYBWLDZPYZEX-UHFFFAOYSA-N -1 3 407.451 4.242 20 0 HIADHM CCCCS(=O)(=O)Nc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000469376895 883508419 /nfs/dbraw/zinc/50/84/19/883508419.db2.gz JXSBTTGBDSQDKR-UHFFFAOYSA-N -1 3 408.495 4.035 20 0 HIADHM O=C(N[C@@H]1CCCc2occc21)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469519938 883785446 /nfs/dbraw/zinc/78/54/46/883785446.db2.gz BDBKWPFOAQIZIH-CQSZACIVSA-N -1 3 421.678 4.344 20 0 HIADHM COc1cc(Br)ccc1CCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469561825 883815038 /nfs/dbraw/zinc/81/50/38/883815038.db2.gz HTYNVKMIEGSRGB-UHFFFAOYSA-N -1 3 424.310 4.374 20 0 HIADHM Cn1ccc([C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2ccc(Cl)cc2)n1 ZINC000469564646 883816072 /nfs/dbraw/zinc/81/60/72/883816072.db2.gz BQURKFJJXDLJTQ-NRFANRHFSA-N -1 3 401.869 4.147 20 0 HIADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000469721046 883886383 /nfs/dbraw/zinc/88/63/83/883886383.db2.gz MXBXMLZKEQCOOV-ZUZCIYMTSA-N -1 3 409.711 4.349 20 0 HIADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)n1 ZINC000469806752 883981563 /nfs/dbraw/zinc/98/15/63/883981563.db2.gz LCTZTRZXVLLHIB-OAHLLOKOSA-N -1 3 404.499 4.046 20 0 HIADHM COc1cccc(Cn2ccc3ccc(NC(=O)NCc4ncccc4[O-])cc32)c1 ZINC000469910619 884099929 /nfs/dbraw/zinc/09/99/29/884099929.db2.gz VTRFSYLEWGKEMH-UHFFFAOYSA-N -1 3 402.454 4.121 20 0 HIADHM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1ncccc1OCC(F)F ZINC000470382396 884782630 /nfs/dbraw/zinc/78/26/30/884782630.db2.gz LKMMKOOXEOXKMB-UHFFFAOYSA-N -1 3 402.382 4.243 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](c4ccsc4)O[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000470456209 884851029 /nfs/dbraw/zinc/85/10/29/884851029.db2.gz NEGSXTXVNLYGSU-DJJJIMSYSA-N -1 3 410.499 4.213 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3ccccc3-n3cccn3)cc2)cc(=O)[n-]1 ZINC000470539277 884942880 /nfs/dbraw/zinc/94/28/80/884942880.db2.gz ZZZJTIFDJZVPHR-HNNXBMFYSA-N -1 3 414.469 4.226 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1CCN(c2cccc(C)n2)CC1 ZINC000470602868 885029069 /nfs/dbraw/zinc/02/90/69/885029069.db2.gz QZLZICJHEFRDLD-UHFFFAOYSA-N -1 3 419.934 4.045 20 0 HIADHM CC[C@H](Cc1ccccc1Br)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000470738482 885198455 /nfs/dbraw/zinc/19/84/55/885198455.db2.gz UTVIPYWPAVMATH-CQSZACIVSA-N -1 3 420.351 4.302 20 0 HIADHM Cn1nc(C(F)F)c2cc(C(=O)[N-]c3nnc(Cc4ccccc4F)s3)sc21 ZINC000470876086 885365225 /nfs/dbraw/zinc/36/52/25/885365225.db2.gz OLRNUZWWUYUVOL-UHFFFAOYSA-N -1 3 423.445 4.406 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)COc3ccccc3)cc2)cc1 ZINC000471173463 885731495 /nfs/dbraw/zinc/73/14/95/885731495.db2.gz RKTVIUBIFOYWHP-GOSISDBHSA-N -1 3 424.522 4.449 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)COc3ccccc3)cc2)cc1 ZINC000471173464 885731656 /nfs/dbraw/zinc/73/16/56/885731656.db2.gz RKTVIUBIFOYWHP-SFHVURJKSA-N -1 3 424.522 4.449 20 0 HIADHM CCOc1ccc(-c2nc(CC)c(C(=O)Nc3nnc(C(F)(F)F)[n-]3)s2)cc1 ZINC000471867755 886644577 /nfs/dbraw/zinc/64/45/77/886644577.db2.gz DZBFGPSRTCAYDA-UHFFFAOYSA-N -1 3 411.409 4.160 20 0 HIADHM CCOc1ccc(-c2nc(CC)c(C(=O)Nc3nc(C(F)(F)F)n[n-]3)s2)cc1 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O=c1[nH]cc(Br)cc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000480191467 895588177 /nfs/dbraw/zinc/58/81/77/895588177.db2.gz BBQIERXIJGZMPM-UHFFFAOYSA-N -1 3 413.680 4.157 20 0 HIADHM COc1ccc(-c2csc3ncnc(NCc4nc(C(F)(F)F)n[n-]4)c23)cc1 ZINC000480314023 895716341 /nfs/dbraw/zinc/71/63/41/895716341.db2.gz KHPRPJXQUPCZMS-UHFFFAOYSA-N -1 3 406.393 4.116 20 0 HIADHM O=C(Cc1ccc(OCc2ccccn2)cc1)Nc1cc(Br)ccc1[O-] ZINC000505370581 914032749 /nfs/dbraw/zinc/03/27/49/914032749.db2.gz OFDATQCMLSFIED-UHFFFAOYSA-N -1 3 413.271 4.310 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc4oc(N(C)C)nc4c3)cc2)cc(=O)[n-]1 ZINC000481185716 896532007 /nfs/dbraw/zinc/53/20/07/896532007.db2.gz WZUHXOCUFMGNGB-UHFFFAOYSA-N -1 3 404.430 4.009 20 0 HIADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1Cl ZINC000481259500 896609442 /nfs/dbraw/zinc/60/94/42/896609442.db2.gz NKLVPEFSHFKTKC-DOTOQJQBSA-N -1 3 408.310 4.014 20 0 HIADHM Cc1nc([C@H]2CCCO2)sc1C(=O)[N-]c1n[nH]c(-c2cccc3ccccc32)n1 ZINC000481611601 896993355 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O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1cc(Cl)ccc1Br ZINC000499646243 908863922 /nfs/dbraw/zinc/86/39/22/908863922.db2.gz JKRDKWLBFYWYNI-SECBINFHSA-N -1 3 402.688 4.206 20 0 HIADHM CC(C)Cn1ncc(NC(=O)NCc2ccc([O-])c(Br)c2)c1C(C)C ZINC000499998307 909449796 /nfs/dbraw/zinc/44/97/96/909449796.db2.gz ISUKJEVMZTVGSH-UHFFFAOYSA-N -1 3 409.328 4.452 20 0 HIADHM Cc1ncsc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000513043289 921503227 /nfs/dbraw/zinc/50/32/27/921503227.db2.gz ZLAKLNVGRDATRS-UHFFFAOYSA-N -1 3 401.513 4.121 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1C(F)(F)F ZINC000500315354 909777262 /nfs/dbraw/zinc/77/72/62/909777262.db2.gz KZYQDKYDIINYFB-MRXNPFEDSA-N -1 3 415.433 4.372 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)c2)n1 ZINC000500351695 909807035 /nfs/dbraw/zinc/80/70/35/909807035.db2.gz WFCYMCXGKROZSD-NRFANRHFSA-N -1 3 419.481 4.222 20 0 HIADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccccn1)c1csc(-c2ccccc2)n1 ZINC000500434550 909854002 /nfs/dbraw/zinc/85/40/02/909854002.db2.gz RVPUUGIORZZDPD-FQEVSTJZSA-N -1 3 407.520 4.273 20 0 HIADHM CCc1ccc([O-])c(C(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000501173321 910341882 /nfs/dbraw/zinc/34/18/82/910341882.db2.gz ZDGYFWYWWQTGHL-JOCHJYFZSA-N -1 3 419.525 4.030 20 0 HIADHM CCc1ccc([O-])c(C(=O)N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000501173322 910342302 /nfs/dbraw/zinc/34/23/02/910342302.db2.gz ZDGYFWYWWQTGHL-QFIPXVFZSA-N -1 3 419.525 4.030 20 0 HIADHM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc2n[nH]cc21 ZINC000501729851 910792716 /nfs/dbraw/zinc/79/27/16/910792716.db2.gz PKWVLJWJYJWHBR-UHFFFAOYSA-N -1 3 424.457 4.064 20 0 HIADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCC1 ZINC000502116806 911045497 /nfs/dbraw/zinc/04/54/97/911045497.db2.gz CNGFBQFDFFJDCF-CYBMUJFWSA-N -1 3 421.345 4.183 20 0 HIADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000502170252 911094127 /nfs/dbraw/zinc/09/41/27/911094127.db2.gz QXJDSBPDBPJGFM-GFCCVEGCSA-N -1 3 415.262 4.059 20 0 HIADHM O=C(N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cc(F)cc2n[n-]nc21 ZINC000503065040 912030886 /nfs/dbraw/zinc/03/08/86/912030886.db2.gz SHJXEUAAXWMWKR-AWEZNQCLSA-N -1 3 411.437 4.167 20 0 HIADHM CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000503182408 912156116 /nfs/dbraw/zinc/15/61/16/912156116.db2.gz VIKFJQSCWYBPRS-UHFFFAOYSA-N -1 3 419.485 4.218 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2cc3ccccc3s2)c1 ZINC000506717812 915396426 /nfs/dbraw/zinc/39/64/26/915396426.db2.gz JQYPJIWIMDABRM-UHFFFAOYSA-N -1 3 421.478 4.128 20 0 HIADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000506821668 915585101 /nfs/dbraw/zinc/58/51/01/915585101.db2.gz QDGWFRHGHAVRLC-UHFFFAOYSA-N -1 3 409.813 4.315 20 0 HIADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000507563241 916319377 /nfs/dbraw/zinc/31/93/77/916319377.db2.gz GZWJRNGHWPENMP-CXAGYDPISA-N -1 3 417.387 4.047 20 0 HIADHM O=S(=O)([N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cnc2ccccc2c1 ZINC000508071827 916893145 /nfs/dbraw/zinc/89/31/45/916893145.db2.gz BZEKMNSCEUWKBO-SFHVURJKSA-N -1 3 405.401 4.298 20 0 HIADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508130981 916950021 /nfs/dbraw/zinc/95/00/21/916950021.db2.gz JGYHICZLPZEMMQ-SFHVURJKSA-N -1 3 412.433 4.375 20 0 HIADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Cl)c2Br)c1 ZINC000508202176 917022465 /nfs/dbraw/zinc/02/24/65/917022465.db2.gz CWKGLALKNZADIU-UHFFFAOYSA-N -1 3 420.712 4.058 20 0 HIADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000508222435 917040818 /nfs/dbraw/zinc/04/08/18/917040818.db2.gz KGAGERXFUUFTFI-OAQYLSRUSA-N -1 3 424.497 4.352 20 0 HIADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000508222433 917041378 /nfs/dbraw/zinc/04/13/78/917041378.db2.gz KGAGERXFUUFTFI-NRFANRHFSA-N -1 3 424.497 4.352 20 0 HIADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)no1)c1cc(Cl)ccc1C(F)(F)F ZINC000508791006 917547795 /nfs/dbraw/zinc/54/77/95/917547795.db2.gz BVTHGTWYRRXQAV-UHFFFAOYSA-N -1 3 416.808 4.492 20 0 HIADHM O=S(=O)([N-][C@H]1CCCOc2ccccc21)c1c(Cl)cccc1Br ZINC000509373216 918038919 /nfs/dbraw/zinc/03/89/19/918038919.db2.gz PXGSJDXLRKHJHQ-AWEZNQCLSA-N -1 3 416.724 4.295 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000509521528 918170383 /nfs/dbraw/zinc/17/03/83/918170383.db2.gz RUIGCHDCZFVVKS-SFHVURJKSA-N -1 3 421.950 4.204 20 0 HIADHM CCCc1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)co1 ZINC000509538565 918186641 /nfs/dbraw/zinc/18/66/41/918186641.db2.gz CXZNVWAROJYZSJ-UHFFFAOYSA-N -1 3 413.499 4.297 20 0 HIADHM CO[C@H](C)c1nc(=NC[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000509556841 918207623 /nfs/dbraw/zinc/20/76/23/918207623.db2.gz YVJXKXCJMQZUDQ-XNRPHZJLSA-N -1 3 414.497 4.181 20 0 HIADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000509587579 918236947 /nfs/dbraw/zinc/23/69/47/918236947.db2.gz RTFHVFAMBDJVES-UHFFFAOYSA-N -1 3 404.822 4.091 20 0 HIADHM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)co2)cc1 ZINC000509686864 918316239 /nfs/dbraw/zinc/31/62/39/918316239.db2.gz UQECUZHDCLVYEY-UHFFFAOYSA-N -1 3 411.310 4.478 20 0 HIADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2C(F)(F)F)c(Cl)c1 ZINC000509758797 918374236 /nfs/dbraw/zinc/37/42/36/918374236.db2.gz BOWZKSDZNDGRSH-SNVBAGLBSA-N -1 3 421.824 4.185 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H]3CCc4ccccc43)cs2)c1 ZINC000509813194 918416866 /nfs/dbraw/zinc/41/68/66/918416866.db2.gz VOJSEHWHPURDOR-IBGZPJMESA-N -1 3 421.522 4.098 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)NCCCO[C@@H](C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000509843138 918444959 /nfs/dbraw/zinc/44/49/59/918444959.db2.gz DFRIVAQTZMAXFI-INIZCTEOSA-N -1 3 406.486 4.447 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N3CCC(OCc4ccccc4)CC3)cc2)cc(=O)[n-]1 ZINC000509868955 918470632 /nfs/dbraw/zinc/47/06/32/918470632.db2.gz KOFBXTAEHMJTON-UHFFFAOYSA-N -1 3 418.497 4.371 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccccn3)cc2)cc(=O)[n-]1 ZINC000509884606 918485845 /nfs/dbraw/zinc/48/58/45/918485845.db2.gz IOZOYDFPCIJBAN-QHCPKHFHSA-N -1 3 411.465 4.464 20 0 HIADHM COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000509885434 918487297 /nfs/dbraw/zinc/48/72/97/918487297.db2.gz QNVCSEPLJUDKAX-KRWDZBQOSA-N -1 3 419.525 4.010 20 0 HIADHM COc1cc2c(cc1F)CC[C@@H]2NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000510194062 918742927 /nfs/dbraw/zinc/74/29/27/918742927.db2.gz AFBFWKWKIIDHCB-SFHVURJKSA-N -1 3 408.433 4.114 20 0 HIADHM Cc1csc(C2([N-]S(=O)(=O)c3c(Cl)cccc3Br)CCC2)n1 ZINC000510341648 918841834 /nfs/dbraw/zinc/84/18/34/918841834.db2.gz LJFQQQCZZGOEAL-UHFFFAOYSA-N -1 3 421.769 4.225 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2ccccc2)cc1Cl ZINC000511030501 919608654 /nfs/dbraw/zinc/60/86/54/919608654.db2.gz NLKLLANUKCPTEK-WMLDXEAASA-N -1 3 410.898 4.052 20 0 HIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)ccc1OC(C)C ZINC000511132200 919747976 /nfs/dbraw/zinc/74/79/76/919747976.db2.gz SDYHTCFDVMMXAF-UHFFFAOYSA-N -1 3 417.556 4.468 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC[C@@H]3C)ccc2C)cc1 ZINC000511776656 920466895 /nfs/dbraw/zinc/46/68/95/920466895.db2.gz QKCUBGAFSTYOSG-KRWDZBQOSA-N -1 3 416.543 4.209 20 0 HIADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000511899904 920636392 /nfs/dbraw/zinc/63/63/92/920636392.db2.gz ZTKDCMGCAUFAQB-UHFFFAOYSA-N -1 3 417.314 4.161 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000512103346 920862483 /nfs/dbraw/zinc/86/24/83/920862483.db2.gz CSFKCKLPMMZXPC-HXUWFJFHSA-N -1 3 408.546 4.034 20 0 HIADHM Cc1ccc(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1F ZINC000513870651 922199970 /nfs/dbraw/zinc/19/99/70/922199970.db2.gz CXYBSXJBVXRXMP-UHFFFAOYSA-N -1 3 419.884 4.053 20 0 HIADHM COc1cc(C(=O)NCC2(c3cccc(Br)c3)CCC2)cc(OC)c1[O-] ZINC000513959878 922278048 /nfs/dbraw/zinc/27/80/48/922278048.db2.gz VQDYCRLEVFEWIY-UHFFFAOYSA-N -1 3 420.303 4.024 20 0 HIADHM COc1cc(C(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)cc(OC)c1[O-] ZINC000513960234 922278253 /nfs/dbraw/zinc/27/82/53/922278253.db2.gz CTFMYTDIDDOBET-UHFFFAOYSA-N -1 3 413.392 4.145 20 0 HIADHM Cc1cc(Br)cc(C)c1NC(=O)CCC[S@@](=O)c1ccc([O-])cc1 ZINC000514117029 922449822 /nfs/dbraw/zinc/44/98/22/922449822.db2.gz PJVWNZINDPGNHP-XMMPIXPASA-N -1 3 410.333 4.298 20 0 HIADHM Cc1cccc(C2(c3noc([C@H](C)[N-]S(=O)(=O)c4ccc(Cl)cc4)n3)CC2)c1 ZINC000514894660 922836798 /nfs/dbraw/zinc/83/67/98/922836798.db2.gz ROIKPJXWCUUVRN-AWEZNQCLSA-N -1 3 417.918 4.151 20 0 HIADHM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000515004694 922873870 /nfs/dbraw/zinc/87/38/70/922873870.db2.gz BZESFGFNYFMMMM-UHFFFAOYSA-N -1 3 415.311 4.327 20 0 HIADHM COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)[n-]1 ZINC000515005389 922874234 /nfs/dbraw/zinc/87/42/34/922874234.db2.gz DGSMBAMUEOEPDF-UHFFFAOYSA-N -1 3 423.322 4.399 20 0 HIADHM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc(OCC4CCCCC4)cc3)ccc2o1 ZINC000515693216 923276215 /nfs/dbraw/zinc/27/62/15/923276215.db2.gz ZCGCCXWBEKYCFI-UHFFFAOYSA-N -1 3 402.472 4.293 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1C ZINC000515834896 923384053 /nfs/dbraw/zinc/38/40/53/923384053.db2.gz MGVKLYLFIWPFER-UHFFFAOYSA-N -1 3 407.542 4.116 20 0 HIADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000515905421 923422917 /nfs/dbraw/zinc/42/29/17/923422917.db2.gz GPWJUADDZVFCQD-UHFFFAOYSA-N -1 3 423.705 4.415 20 0 HIADHM CS(=O)(=O)[N-]c1ccc(-c2nc(CCCOc3cccc4ccccc43)no2)cc1 ZINC000516357671 923686754 /nfs/dbraw/zinc/68/67/54/923686754.db2.gz FBQZTVFGMAFIQQ-UHFFFAOYSA-N -1 3 423.494 4.273 20 0 HIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000517365913 924134801 /nfs/dbraw/zinc/13/48/01/924134801.db2.gz ZOJUUQXWIMBXFN-IBGZPJMESA-N -1 3 421.255 4.188 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)cc1OC ZINC000517388938 924152036 /nfs/dbraw/zinc/15/20/36/924152036.db2.gz MJOVVCJFFKEALY-UXHICEINSA-N -1 3 424.522 4.352 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ZINC000552287134 941622459 /nfs/dbraw/zinc/62/24/59/941622459.db2.gz JGLXGQRDKQQSMS-KRWDZBQOSA-N -1 3 421.280 4.145 20 0 HIADHM O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000553014541 941815935 /nfs/dbraw/zinc/81/59/35/941815935.db2.gz CMVGLDGEAXKFBE-QFIPXVFZSA-N -1 3 416.521 4.289 20 0 HIADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1cccc(N2CCCC2)c1 ZINC000553421782 941882380 /nfs/dbraw/zinc/88/23/80/941882380.db2.gz CAUOELBCBMLXGN-LBPRGKRZSA-N -1 3 400.878 4.258 20 0 HIADHM O=S(=O)([N-][C@H](c1cccs1)c1ccc(F)cc1)c1cccnc1C(F)(F)F ZINC000553437815 941885059 /nfs/dbraw/zinc/88/50/59/941885059.db2.gz KCTAVJFDMYIVKN-HNNXBMFYSA-N -1 3 416.421 4.369 20 0 HIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CCOCc2ccccc2)s1 ZINC000553576718 941912470 /nfs/dbraw/zinc/91/24/70/941912470.db2.gz IARARYYXXIYNKT-GFCCVEGCSA-N -1 3 418.378 4.093 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)Nc3cnn(C)c3-c3ccccc3)cc2)cc(=O)[n-]1 ZINC000554140245 942047738 /nfs/dbraw/zinc/04/77/38/942047738.db2.gz 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CC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1[O-] ZINC000556894080 942955866 /nfs/dbraw/zinc/95/58/66/942955866.db2.gz LKAHMXCUKNCNER-UHFFFAOYSA-N -1 3 404.426 4.433 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nc(C(F)(F)F)ns3)cc2)cc1 ZINC000557477579 943155760 /nfs/dbraw/zinc/15/57/60/943155760.db2.gz UXWQACLQTWWLLD-UHFFFAOYSA-N -1 3 415.418 4.458 20 0 HIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(Sc4ccccc4)ns3)c[n-]c12 ZINC000557503621 943172922 /nfs/dbraw/zinc/17/29/22/943172922.db2.gz PBFBAPXOVDJITO-UHFFFAOYSA-N -1 3 412.471 4.231 20 0 HIADHM CC[C@@]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000557847721 943311955 /nfs/dbraw/zinc/31/19/55/943311955.db2.gz WCLKHUGBNAYFNU-SFHVURJKSA-N -1 3 417.861 4.034 20 0 HIADHM O=c1[n-]c(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)nc2c3ccccc3oc21 ZINC000558131159 943390015 /nfs/dbraw/zinc/39/00/15/943390015.db2.gz ZRLQWMIFRNVCSS-GDBMZVCRSA-N -1 3 421.457 4.043 20 0 HIADHM CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cc([O-])ccc3Cl)n2)cc1 ZINC000559658711 944026004 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CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](c4nc5ccc(C)cc5[nH]4)C3)nc2)n1 ZINC000573890484 948323960 /nfs/dbraw/zinc/32/39/60/948323960.db2.gz QQOXPVRHKNEAIZ-QGZVFWFLSA-N -1 3 414.513 4.375 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3nccn3-c3ccccc3)cc2)cc(=O)[n-]1 ZINC000574474737 948452432 /nfs/dbraw/zinc/45/24/32/948452432.db2.gz XMUWZJCKPFMJOC-HNNXBMFYSA-N -1 3 414.469 4.226 20 0 HIADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C ZINC000574895400 948549986 /nfs/dbraw/zinc/54/99/86/948549986.db2.gz YOYZGSOCOKBLOG-NSHDSACASA-N -1 3 423.300 4.014 20 0 HIADHM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(C(F)F)cc1 ZINC000575365984 948657161 /nfs/dbraw/zinc/65/71/61/948657161.db2.gz CDJOVWSFIIPSAQ-UHFFFAOYSA-N -1 3 400.410 4.363 20 0 HIADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2ccc(Br)c(Cl)c2F)s1 ZINC000436010954 861302522 /nfs/dbraw/zinc/30/25/22/861302522.db2.gz HOSXJVNMGQMMPG-UHFFFAOYSA-N -1 3 416.663 4.044 20 0 HIADHM COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c(OC)cc1Br ZINC000436020345 861312920 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CCN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(OC)cc1 ZINC000436618527 861871798 /nfs/dbraw/zinc/87/17/98/861871798.db2.gz RXLDNWGUOIJLFF-QHCPKHFHSA-N -1 3 418.493 4.315 20 0 HIADHM O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436617227 861871805 /nfs/dbraw/zinc/87/18/05/861871805.db2.gz MRQMPZOSTZPNEG-UHFFFAOYSA-N -1 3 414.505 4.035 20 0 HIADHM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436617520 861872154 /nfs/dbraw/zinc/87/21/54/861872154.db2.gz NWVSYLVRBXIJFJ-LJQANCHMSA-N -1 3 422.569 4.190 20 0 HIADHM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436625052 861874198 /nfs/dbraw/zinc/87/41/98/861874198.db2.gz LMRFSNBXVTZTEA-FQEVSTJZSA-N -1 3 410.514 4.259 20 0 HIADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H](C)c3ccccc3)cs2)c1 ZINC000436625549 861874260 /nfs/dbraw/zinc/87/42/60/861874260.db2.gz DVZOCHCOFQUPNS-OAHLLOKOSA-N -1 3 409.511 4.172 20 0 HIADHM C[C@H](C1CC1)n1nccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436631441 861875762 /nfs/dbraw/zinc/87/57/62/861875762.db2.gz VAAXNVVJHAHIFF-IIBYNOLFSA-N -1 3 418.497 4.060 20 0 HIADHM C[C@@H](C1CC1)n1nccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436631442 861875860 /nfs/dbraw/zinc/87/58/60/861875860.db2.gz VAAXNVVJHAHIFF-KKSFZXQISA-N -1 3 418.497 4.060 20 0 HIADHM O=C(NCCc1cccc(-c2ccccc2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436631164 861876070 /nfs/dbraw/zinc/87/60/70/861876070.db2.gz SEQVCKPGUVSALV-HSZRJFAPSA-N -1 3 414.505 4.023 20 0 HIADHM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)cnc2Cl)c(C)s1 ZINC000041066528 848200808 /nfs/dbraw/zinc/20/08/08/848200808.db2.gz GJHUTQSELIXILB-MRVPVSSYSA-N -1 3 409.758 4.215 20 0 HIADHM CCOc1ccc([C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C(C)C)cc1OCC ZINC000436639971 861878267 /nfs/dbraw/zinc/87/82/67/861878267.db2.gz NFFXDYWSFXBPDW-NRFANRHFSA-N -1 3 417.502 4.334 20 0 HIADHM COc1ccc(C(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)c([O-])c1 ZINC000436644861 861880314 /nfs/dbraw/zinc/88/03/14/861880314.db2.gz BQCDRUYJUBUKQE-UHFFFAOYSA-N -1 3 407.466 4.131 20 0 HIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000436651592 861882240 /nfs/dbraw/zinc/88/22/40/861882240.db2.gz HBFIZIQQRDCBJV-HHHXNRCGSA-N -1 3 415.533 4.440 20 0 HIADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2COc2ccccc2)c([O-])c1 ZINC000436668889 861888327 /nfs/dbraw/zinc/88/83/27/861888327.db2.gz ZVGPPMHFLNYOFL-UHFFFAOYSA-N -1 3 404.466 4.038 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1(C(F)(F)F)CCC1 ZINC000436687074 861894212 /nfs/dbraw/zinc/89/42/12/861894212.db2.gz QFFRKIUWRGOHRJ-GOSISDBHSA-N -1 3 420.431 4.102 20 0 HIADHM COc1cc(-c2nc(CCc3ccccc3Br)no2)cc(OC)c1[O-] ZINC000436690824 861894868 /nfs/dbraw/zinc/89/48/68/861894868.db2.gz RCDJJZKEXCQMNC-UHFFFAOYSA-N -1 3 405.248 4.007 20 0 HIADHM O=C(Nc1ccc2nc(C(F)F)sc2c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436696857 861895621 /nfs/dbraw/zinc/89/56/21/861895621.db2.gz IDBSDQSQPBVTHV-CQSZACIVSA-N -1 3 417.437 4.183 20 0 HIADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000436696299 861896032 /nfs/dbraw/zinc/89/60/32/861896032.db2.gz OIVLUHXYKNWHQL-UHFFFAOYSA-N -1 3 412.436 4.105 20 0 HIADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3nc(C(F)F)sc3c2)c([O-])c1 ZINC000436698464 861896781 /nfs/dbraw/zinc/89/67/81/861896781.db2.gz MRSWQNCRUQIYTQ-UHFFFAOYSA-N -1 3 405.426 4.007 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC(C1CCC1)C1CCC1 ZINC000436699250 861896854 /nfs/dbraw/zinc/89/68/54/861896854.db2.gz SVNKSHOOQCBVEW-QFIPXVFZSA-N -1 3 406.526 4.338 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2)c1 ZINC000436704176 861898124 /nfs/dbraw/zinc/89/81/24/861898124.db2.gz LCCYAZVPEBSXON-VLIAUNLRSA-N -1 3 405.454 4.164 20 0 HIADHM O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436717819 861906033 /nfs/dbraw/zinc/90/60/33/861906033.db2.gz XVESUGPTGBEENF-UHFFFAOYSA-N -1 3 420.396 4.229 20 0 HIADHM CC(C)Cc1cccc([C@@H](C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436722599 861908337 /nfs/dbraw/zinc/90/83/37/861908337.db2.gz ONSIGDKCUZKNPG-GOSISDBHSA-N -1 3 408.542 4.115 20 0 HIADHM CC1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000436730601 861913295 /nfs/dbraw/zinc/91/32/95/861913295.db2.gz HHJMPTSMWBTTJD-BHIFYINESA-N -1 3 406.526 4.291 20 0 HIADHM C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000436734759 861920408 /nfs/dbraw/zinc/92/04/08/861920408.db2.gz CIWZMOGKGYLLFS-LMDOGRNLSA-N -1 3 406.526 4.291 20 0 HIADHM CCOc1ccc([C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)c2ccccc2)cc1 ZINC000436737198 861922432 /nfs/dbraw/zinc/92/24/32/861922432.db2.gz PNLGSPXZCLFZNM-JOCHJYFZSA-N -1 3 407.466 4.328 20 0 HIADHM CC(C)c1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2[O-])c2cccs2)cc1 ZINC000045159550 848642240 /nfs/dbraw/zinc/64/22/40/848642240.db2.gz XENDMILIJBKKQK-HXUWFJFHSA-N -1 3 409.511 4.311 20 0 HIADHM C[C@@H](NC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl)c1ccc2c(c1)OCO2 ZINC000045404381 848675915 /nfs/dbraw/zinc/67/59/15/848675915.db2.gz ZVGGNTFRNMFXPH-SSDOTTSWSA-N -1 3 403.653 4.158 20 0 HIADHM Cc1ccc2nc([N-]C(=O)c3sccc3S(=O)(=O)N3CCCCC3)sc2c1 ZINC000045651073 848708269 /nfs/dbraw/zinc/70/82/69/848708269.db2.gz XAMWULIDGSIYHX-UHFFFAOYSA-N -1 3 421.569 4.093 20 0 HIADHM CC(=O)Nc1cccc([C@H](C)NC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)c1 ZINC000045720206 848717027 /nfs/dbraw/zinc/71/70/27/848717027.db2.gz DGWFDILQHHMMRI-QMMMGPOBSA-N -1 3 416.696 4.388 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)Nc3ccccc3)ccc2C)cc1 ZINC000045774167 848725764 /nfs/dbraw/zinc/72/57/64/848725764.db2.gz AGOMFVJALWCTOM-UHFFFAOYSA-N -1 3 411.483 4.448 20 0 HIADHM COc1cc(NC(=O)c2cccc(C)c2[O-])c(OC)cc1NC(=O)c1ccccc1 ZINC000436754982 861940453 /nfs/dbraw/zinc/94/04/53/861940453.db2.gz JYBSKPPBADJFPN-UHFFFAOYSA-N -1 3 406.438 4.222 20 0 HIADHM Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c([O-])c1 ZINC000436757233 861944257 /nfs/dbraw/zinc/94/42/57/861944257.db2.gz URFYILYUSIMXKD-UHFFFAOYSA-N -1 3 404.466 4.028 20 0 HIADHM CC(C)NC(=O)Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436758178 861945339 /nfs/dbraw/zinc/94/53/39/861945339.db2.gz XSVPCGDVHDZULW-UHFFFAOYSA-N -1 3 418.493 4.291 20 0 HIADHM CCc1nc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cs1 ZINC000046451946 848851013 /nfs/dbraw/zinc/85/10/13/848851013.db2.gz SJRALRXXLYYNGG-LJQANCHMSA-N -1 3 410.495 4.016 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCOc3ccccc3)cc2)cc1 ZINC000046462607 848854682 /nfs/dbraw/zinc/85/46/82/848854682.db2.gz MUZHNNYSUJGYQT-UHFFFAOYSA-N -1 3 410.495 4.203 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3C)c2)cc1 ZINC000046469871 848855604 /nfs/dbraw/zinc/85/56/04/848855604.db2.gz RQEBKGSPWGVFEH-UHFFFAOYSA-N -1 3 410.495 4.365 20 0 HIADHM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436768160 861961149 /nfs/dbraw/zinc/96/11/49/861961149.db2.gz DOYDZARAIGIBSR-UHFFFAOYSA-N -1 3 416.521 4.347 20 0 HIADHM O=C(NC1CC1)c1cc(SCc2noc(-c3ccccc3[O-])n2)nc2ccccc21 ZINC000436774715 861965279 /nfs/dbraw/zinc/96/52/79/861965279.db2.gz BXWOMHZELBTSKX-UHFFFAOYSA-N -1 3 418.478 4.175 20 0 HIADHM CC(C)(NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1F ZINC000436779364 861968656 /nfs/dbraw/zinc/96/86/56/861968656.db2.gz KBWLJVCBOPBZKJ-JOCHJYFZSA-N -1 3 420.484 4.444 20 0 HIADHM COc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1OCc1cccnc1 ZINC000436778938 861968975 /nfs/dbraw/zinc/96/89/75/861968975.db2.gz STKAZKKHMFVJLO-UHFFFAOYSA-N -1 3 420.465 4.341 20 0 HIADHM CCC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccc1 ZINC000047271900 849017753 /nfs/dbraw/zinc/01/77/53/849017753.db2.gz APQWNHJRAFOJPK-SFHVURJKSA-N -1 3 415.490 4.226 20 0 HIADHM C[C@@H](Sc1ccccc1Cl)C(=O)N[N-]C(=O)c1ccccc1Br ZINC000048169704 849184889 /nfs/dbraw/zinc/18/48/89/849184889.db2.gz GTRBGHCSMGSIOT-SNVBAGLBSA-N -1 3 413.724 4.044 20 0 HIADHM Cc1ccc(SC2CCCC2)c(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000436797099 861989436 /nfs/dbraw/zinc/98/94/36/861989436.db2.gz DHJBXXOBHQQPBA-UHFFFAOYSA-N -1 3 424.566 4.334 20 0 HIADHM C/C(=C/c1ccccc1)CN(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436805516 861994865 /nfs/dbraw/zinc/99/48/65/861994865.db2.gz FDOVCOFVGIXZRV-PTNGSMBKSA-N -1 3 405.454 4.116 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnn(-c4ccccc4C)c3C)c2)n1 ZINC000049305193 849302590 /nfs/dbraw/zinc/30/25/90/849302590.db2.gz RCACXDYHXFHTEK-UHFFFAOYSA-N -1 3 413.481 4.054 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c2)n1 ZINC000049303660 849303088 /nfs/dbraw/zinc/30/30/88/849303088.db2.gz GTKUGAZNUNOGFM-UHFFFAOYSA-N -1 3 401.388 4.199 20 0 HIADHM Cc1ccc(-c2cnc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])s2)c(C)c1 ZINC000436825134 862006515 /nfs/dbraw/zinc/00/65/15/862006515.db2.gz JKQRLHDICIMATD-SFHVURJKSA-N -1 3 421.522 4.376 20 0 HIADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)c([O-])c1 ZINC000436828617 862009974 /nfs/dbraw/zinc/00/99/74/862009974.db2.gz QSMBVVQRYZKQCO-UHFFFAOYSA-N -1 3 407.470 4.238 20 0 HIADHM Cc1ccc(-c2ccsc2C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436846809 862024123 /nfs/dbraw/zinc/02/41/23/862024123.db2.gz OAFNVNQUTDDFGB-UHFFFAOYSA-N -1 3 406.507 4.027 20 0 HIADHM CCc1ccc([C@@H]2CCN(C(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])C2)cc1 ZINC000436850638 862028132 /nfs/dbraw/zinc/02/81/32/862028132.db2.gz ITBOCXIMWRTJME-GOSISDBHSA-N -1 3 419.481 4.133 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3Oc3cccnc3)c2)n1 ZINC000051982887 849534480 /nfs/dbraw/zinc/53/44/80/849534480.db2.gz NFSZMUIVTPTCBK-UHFFFAOYSA-N -1 3 412.449 4.439 20 0 HIADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436855892 862034892 /nfs/dbraw/zinc/03/48/92/862034892.db2.gz KYDRWSPPPDWAGO-UHFFFAOYSA-N -1 3 409.269 4.002 20 0 HIADHM Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])sc1-c1ccccc1 ZINC000052591497 849600140 /nfs/dbraw/zinc/60/01/40/849600140.db2.gz JXYWSOSLBYYTGV-KRWDZBQOSA-N -1 3 407.495 4.067 20 0 HIADHM Cc1c2cc(F)ccc2sc1C(=O)N[N-]C(=O)c1ccccc1Br ZINC000052917817 849644194 /nfs/dbraw/zinc/64/41/94/849644194.db2.gz SBQDFIOXYFKIME-UHFFFAOYSA-N -1 3 407.264 4.186 20 0 HIADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000436862913 862041595 /nfs/dbraw/zinc/04/15/95/862041595.db2.gz RHVQLMGOSSBMKL-XZOQPEGZSA-N -1 3 414.505 4.070 20 0 HIADHM C[C@H](c1nc(C(C)(C)C)no1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000053020606 849656519 /nfs/dbraw/zinc/65/65/19/849656519.db2.gz KZKSAKAICVLUPT-GFCCVEGCSA-N -1 3 406.914 4.138 20 0 HIADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000436868091 862046148 /nfs/dbraw/zinc/04/61/48/862046148.db2.gz FVKPFFRUVGMBRY-ZDUSSCGKSA-N -1 3 421.324 4.224 20 0 HIADHM O=C(CCSc1nnc([N-]c2ccccc2F)s1)Nc1ccc2c(c1)OCO2 ZINC000054430567 849866035 /nfs/dbraw/zinc/86/60/35/849866035.db2.gz WCKRGPVBWNYKJH-UHFFFAOYSA-N -1 3 418.475 4.270 20 0 HIADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436891687 862068166 /nfs/dbraw/zinc/06/81/66/862068166.db2.gz YHGIWQRCSXLNTL-CQSZACIVSA-N -1 3 421.310 4.030 20 0 HIADHM COc1cccc(-c2nc(-c3cccc(C(=O)NCc4ccc(C)cc4)c3)no2)c1[O-] ZINC000436900040 862076383 /nfs/dbraw/zinc/07/63/83/862076383.db2.gz AXIKGJUKNBKCBT-UHFFFAOYSA-N -1 3 415.449 4.356 20 0 HIADHM O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)[N-]OCc1ccccc1 ZINC000055160868 849980503 /nfs/dbraw/zinc/98/05/03/849980503.db2.gz WLBQYXFAFUGTGZ-UHFFFAOYSA-N -1 3 400.434 4.476 20 0 HIADHM O=C(N[C@@H](CC(=O)N1CC[C@@H](CC(F)(F)F)C1)c1ccccc1)c1ccc([O-])cc1 ZINC000436903027 862077203 /nfs/dbraw/zinc/07/72/03/862077203.db2.gz VJVIFFCCHAWXKG-KXBFYZLASA-N -1 3 420.431 4.054 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccc(Cl)cc1 ZINC000436901775 862078495 /nfs/dbraw/zinc/07/84/95/862078495.db2.gz IDQRPXAYAWVPEC-JOCHJYFZSA-N -1 3 422.912 4.266 20 0 HIADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000055343248 850004404 /nfs/dbraw/zinc/00/44/04/850004404.db2.gz ZAUYARHDWDXNMG-UHFFFAOYSA-N -1 3 409.530 4.047 20 0 HIADHM Cc1ccc(-c2csc3[n-]c(CC(=O)N[C@H](C)c4ccccc4)nc(=O)c23)s1 ZINC000055490955 850038355 /nfs/dbraw/zinc/03/83/55/850038355.db2.gz JUGWYCJKCGPGJL-CYBMUJFWSA-N -1 3 409.536 4.441 20 0 HIADHM O=C(Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1)NC1CCCCC1 ZINC000055491904 850038375 /nfs/dbraw/zinc/03/83/75/850038375.db2.gz MFJHDHBEOWMYFX-UHFFFAOYSA-N -1 3 401.919 4.296 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@H]1c1ccccc1 ZINC000436907455 862084451 /nfs/dbraw/zinc/08/44/51/862084451.db2.gz GGXLLQHFSVSVHK-GOTSBHOMSA-N -1 3 400.478 4.227 20 0 HIADHM Cc1ccccc1C(=O)NCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436909211 862086744 /nfs/dbraw/zinc/08/67/44/862086744.db2.gz LQQTUZWGQAQQCV-UHFFFAOYSA-N -1 3 417.490 4.346 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCCc2occc21 ZINC000436910311 862087789 /nfs/dbraw/zinc/08/77/89/862087789.db2.gz CGCUCGKKRLSLSO-SFTDATJTSA-N -1 3 404.466 4.040 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)c(C)c1 ZINC000055650289 850094795 /nfs/dbraw/zinc/09/47/95/850094795.db2.gz WHLRVDXIJIWMQR-UHFFFAOYSA-N -1 3 410.495 4.081 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@H]1c1cccnc1 ZINC000436913175 862090989 /nfs/dbraw/zinc/09/09/89/862090989.db2.gz ILINGFGLCYMWIR-PKTZIBPZSA-N -1 3 415.493 4.012 20 0 HIADHM CCN(CCc1cccs1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436913625 862091256 /nfs/dbraw/zinc/09/12/56/862091256.db2.gz VTTYBUNPQRSGOU-QFIPXVFZSA-N -1 3 422.550 4.406 20 0 HIADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1(Cc2ccccc2)CC1 ZINC000436914413 862093326 /nfs/dbraw/zinc/09/33/26/862093326.db2.gz LLZRBXQZEMSWAE-HSZRJFAPSA-N -1 3 414.505 4.145 20 0 HIADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCc2ccccc21 ZINC000436915090 862093879 /nfs/dbraw/zinc/09/38/79/862093879.db2.gz ORDHSPJBNXJEOF-PKTZIBPZSA-N -1 3 400.478 4.057 20 0 HIADHM Cc1ccc(-c2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)c([O-])c1 ZINC000436920649 862100484 /nfs/dbraw/zinc/10/04/84/862100484.db2.gz QCUOBKKYCUAIRZ-UHFFFAOYSA-N -1 3 417.259 4.265 20 0 HIADHM O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436921298 862101043 /nfs/dbraw/zinc/10/10/43/862101043.db2.gz JBCJQKGBKLPRIQ-OAQYLSRUSA-N -1 3 405.450 4.391 20 0 HIADHM Cc1ccc(CN(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436921319 862103556 /nfs/dbraw/zinc/10/35/56/862103556.db2.gz JFUPIUVPKSHTLZ-OAQYLSRUSA-N -1 3 408.523 4.282 20 0 HIADHM CCCN(C[C@@H]1CCCCO1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436925341 862105742 /nfs/dbraw/zinc/10/57/42/862105742.db2.gz INRIELRZQIJDHT-GOTSBHOMSA-N -1 3 424.541 4.061 20 0 HIADHM Cc1c(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)nnn1-c1ccc(C)cc1 ZINC000056249417 850297800 /nfs/dbraw/zinc/29/78/00/850297800.db2.gz KIHJNNFWJSXXMR-UHFFFAOYSA-N -1 3 410.890 4.308 20 0 HIADHM O=C(NCC1(c2ccc(F)cc2)CCCCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436946070 862121941 /nfs/dbraw/zinc/12/19/41/862121941.db2.gz CHJWEPMCVFFTMG-NRFANRHFSA-N -1 3 424.516 4.154 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c1 ZINC000436946041 862122470 /nfs/dbraw/zinc/12/24/70/862122470.db2.gz BYHQAOVBSPZGDF-GFCCVEGCSA-N -1 3 413.861 4.428 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000436949558 862125143 /nfs/dbraw/zinc/12/51/43/862125143.db2.gz KYGQINWRBKTOJJ-AWEZNQCLSA-N -1 3 423.469 4.219 20 0 HIADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CCc2ccccc2)CC(C)C)c1 ZINC000436950743 862127761 /nfs/dbraw/zinc/12/77/61/862127761.db2.gz CMWLZYKZTFWJNY-UHFFFAOYSA-N -1 3 421.497 4.282 20 0 HIADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436951556 862131431 /nfs/dbraw/zinc/13/14/31/862131431.db2.gz FXOBPKQDUXQMDB-ZWKOTPCHSA-N -1 3 410.514 4.342 20 0 HIADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N[N-]C(=O)c1ccccc1Br ZINC000056906643 850514370 /nfs/dbraw/zinc/51/43/70/850514370.db2.gz CCUANWIDBXHLPD-GFCCVEGCSA-N -1 3 416.275 4.209 20 0 HIADHM C[C@@H](NC(=O)NNC(=O)c1ccccc1[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000056931966 850518047 /nfs/dbraw/zinc/51/80/47/850518047.db2.gz GBWORDFHSDSRCH-CQSZACIVSA-N -1 3 409.417 4.029 20 0 HIADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)cc1 ZINC000057126336 850555067 /nfs/dbraw/zinc/55/50/67/850555067.db2.gz UUYVJAKBURGZGR-UHFFFAOYSA-N -1 3 414.483 4.008 20 0 HIADHM Cc1ccc(C(C)(C)NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000436962354 862143427 /nfs/dbraw/zinc/14/34/27/862143427.db2.gz WVNAUNJKCDCVIU-JOCHJYFZSA-N -1 3 417.509 4.008 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)cc1 ZINC000057372529 850617618 /nfs/dbraw/zinc/61/76/18/850617618.db2.gz QGGDTJKNPXQKHF-UHFFFAOYSA-N -1 3 422.506 4.397 20 0 HIADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)c([O-])c1 ZINC000436972527 862151902 /nfs/dbraw/zinc/15/19/02/862151902.db2.gz PIQWRXBTXHBWLT-UHFFFAOYSA-N -1 3 411.498 4.315 20 0 HIADHM CCc1cccc(C)c1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436974869 862154309 /nfs/dbraw/zinc/15/43/09/862154309.db2.gz CRECGFSYCYXIJQ-UHFFFAOYSA-N -1 3 409.511 4.461 20 0 HIADHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCCC1)c1cc(Cl)ccc1Cl ZINC000057704898 850698911 /nfs/dbraw/zinc/69/89/11/850698911.db2.gz WUPFLTVPHBXCAK-AWEZNQCLSA-N -1 3 405.372 4.170 20 0 HIADHM C[C@H](CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)N1CCCCC1=O ZINC000436979988 862158801 /nfs/dbraw/zinc/15/88/01/862158801.db2.gz LUHBUOHFUNDQGK-CQSZACIVSA-N -1 3 409.511 4.399 20 0 HIADHM O=C(Nc1cccc(CN2CCOCC2)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436991570 862167540 /nfs/dbraw/zinc/16/75/40/862167540.db2.gz VUVJNQLYZVWFGH-UHFFFAOYSA-N -1 3 418.493 4.056 20 0 HIADHM COc1cccc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1[O-] ZINC000436991703 862167571 /nfs/dbraw/zinc/16/75/71/862167571.db2.gz SLHKMMPCWHIDLS-UHFFFAOYSA-N -1 3 416.477 4.175 20 0 HIADHM CC(C)[C@H](C)N(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000058262966 850789309 /nfs/dbraw/zinc/78/93/09/850789309.db2.gz KVYNKNMKVHLUNX-HNNXBMFYSA-N -1 3 404.507 4.276 20 0 HIADHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc2cc[nH]c2c1 ZINC000436995463 862169038 /nfs/dbraw/zinc/16/90/38/862169038.db2.gz IFMQLPNIOUXUQR-HSZRJFAPSA-N -1 3 413.477 4.398 20 0 HIADHM COc1cc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)ccc1OCCC(C)C ZINC000058418340 850819163 /nfs/dbraw/zinc/81/91/63/850819163.db2.gz XHZOGIPMCUPPNJ-INIZCTEOSA-N -1 3 408.498 4.453 20 0 HIADHM O=C(Cc1ccccc1)Nc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1F ZINC000058490517 850837570 /nfs/dbraw/zinc/83/75/70/850837570.db2.gz CLFCHTZZNJEGQX-UHFFFAOYSA-N -1 3 415.424 4.101 20 0 HIADHM CCCOc1c(Cl)cc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)cc1OC ZINC000437001354 862174509 /nfs/dbraw/zinc/17/45/09/862174509.db2.gz QFOLGSWAHZUZDU-UHFFFAOYSA-N -1 3 404.806 4.289 20 0 HIADHM CCc1ccc(C(=O)N2CCC(c3noc(-c4ccccc4OC)n3)CC2)c([O-])c1 ZINC000437002529 862178044 /nfs/dbraw/zinc/17/80/44/862178044.db2.gz YOFNXXRDTPIOHU-UHFFFAOYSA-N -1 3 407.470 4.033 20 0 HIADHM COc1cc[n-]c(=NNC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1 ZINC000058744869 850910871 /nfs/dbraw/zinc/91/08/71/850910871.db2.gz TWUIHGQMZCERLK-IBGZPJMESA-N -1 3 414.918 4.105 20 0 HIADHM COc1ccccc1COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000058786338 850926451 /nfs/dbraw/zinc/92/64/51/850926451.db2.gz KSZWREBGEKIEKM-OAQYLSRUSA-N -1 3 405.450 4.005 20 0 HIADHM COc1ccc(CCOC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000058786265 850926751 /nfs/dbraw/zinc/92/67/51/850926751.db2.gz QJZWONSHKHZSEK-HSZRJFAPSA-N -1 3 419.477 4.048 20 0 HIADHM C[C@H](Sc1n[nH]c(-c2cccnc2)n1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000060531535 851136761 /nfs/dbraw/zinc/13/67/61/851136761.db2.gz OGMOUEOYCQVJSW-JTQLQIEISA-N -1 3 422.495 4.278 20 0 HIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000060557866 851147097 /nfs/dbraw/zinc/14/70/97/851147097.db2.gz SDUMFNSASANBJQ-HNNXBMFYSA-N -1 3 422.916 4.088 20 0 HIADHM CCOC(=O)c1c(-c2ccc(OC)cc2)csc1[N-]C(=O)c1snnc1CC ZINC000061055769 851283750 /nfs/dbraw/zinc/28/37/50/851283750.db2.gz QMPGGHQHUJGCDF-UHFFFAOYSA-N -1 3 417.512 4.267 20 0 HIADHM CCCn1c(SCc2nc3c4ccccc4oc3c(=O)[n-]2)nc2ccccc2c1=O ZINC000061126481 851298661 /nfs/dbraw/zinc/29/86/61/851298661.db2.gz JIMZHIFDFJYWHC-UHFFFAOYSA-N -1 3 418.478 4.082 20 0 HIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3noc4ccccc34)cc2)cc1 ZINC000061468466 851385310 /nfs/dbraw/zinc/38/53/10/851385310.db2.gz GXEZKOSWHZOGRO-UHFFFAOYSA-N -1 3 421.478 4.118 20 0 HIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)OCC(C)C)c2)c(C)c1 ZINC000063181405 851629518 /nfs/dbraw/zinc/62/95/18/851629518.db2.gz ISTARWBDHNLCPU-UHFFFAOYSA-N -1 3 406.504 4.317 20 0 HIADHM O=C(N[N-]C(=O)c1ccccc1F)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000063405248 851681305 /nfs/dbraw/zinc/68/13/05/851681305.db2.gz HBLRNAZHAXBDMC-HXUWFJFHSA-N -1 3 411.864 4.407 20 0 HIADHM [O-]c1ccc(Br)cc1/C=N/C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063427616 851685616 /nfs/dbraw/zinc/68/56/16/851685616.db2.gz RSLATQFHPUHEIU-HMAUVEFUSA-N -1 3 418.209 4.032 20 0 HIADHM COc1ccc(OCc2nc(=O)c3c(-c4ccc(OC)c(OC)c4)csc3[n-]2)cc1 ZINC000063579487 851718127 /nfs/dbraw/zinc/71/81/27/851718127.db2.gz PJXOTTBKKXIYIY-UHFFFAOYSA-N -1 3 424.478 4.256 20 0 HIADHM Cc1ccc(CCCCC(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000063648275 851733807 /nfs/dbraw/zinc/73/38/07/851733807.db2.gz QZNCWLFQKFKEGB-UHFFFAOYSA-N -1 3 407.283 4.071 20 0 HIADHM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c2n[nH]cc21 ZINC000063715176 851746464 /nfs/dbraw/zinc/74/64/64/851746464.db2.gz BUYYNFGIWUMCOP-UHFFFAOYSA-N -1 3 424.457 4.064 20 0 HIADHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cc1 ZINC000063849130 851777220 /nfs/dbraw/zinc/77/72/20/851777220.db2.gz XQWBAPGEUSXBIH-UHFFFAOYSA-N -1 3 424.588 4.228 20 0 HIADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064446768 851899162 /nfs/dbraw/zinc/89/91/62/851899162.db2.gz CCQRFKOUDKUIAA-UHFFFAOYSA-N -1 3 416.506 4.353 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)cc1OC ZINC000064478394 851908959 /nfs/dbraw/zinc/90/89/59/851908959.db2.gz MFUGXAFVFCHTTN-UHFFFAOYSA-N -1 3 417.458 4.223 20 0 HIADHM O=C(Nc1ncccc1[O-])c1cc2cc(Br)cc(Br)c2o1 ZINC000064655661 851949583 /nfs/dbraw/zinc/94/95/83/851949583.db2.gz JLGRJUYQDDHHQC-UHFFFAOYSA-N -1 3 412.037 4.311 20 0 HIADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)C2(c3cccc(C)c3)CCCCC2)o1 ZINC000065124631 852073119 /nfs/dbraw/zinc/07/31/19/852073119.db2.gz AMQGTVCKSFWMIA-UHFFFAOYSA-N -1 3 411.546 4.093 20 0 HIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000065737150 852240091 /nfs/dbraw/zinc/24/00/91/852240091.db2.gz YCIOFINKZXTSHI-MRXNPFEDSA-N -1 3 412.493 4.104 20 0 HIADHM O=c1[n-]nc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000068903720 852375661 /nfs/dbraw/zinc/37/56/61/852375661.db2.gz QAYFKUXQBUDHKJ-MSOLQXFVSA-N -1 3 401.919 4.286 20 0 HIADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1cccc(Cl)c1 ZINC000078515243 852517856 /nfs/dbraw/zinc/51/78/56/852517856.db2.gz AJDSPAWXNZZXNZ-UHFFFAOYSA-N -1 3 420.840 4.302 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N(CCc3ccccc3)[C@@H]3CCOC3)cc2)cc(=O)[n-]1 ZINC000437178771 862373032 /nfs/dbraw/zinc/37/30/32/862373032.db2.gz AROKIKCZBOTEDQ-OAQYLSRUSA-N -1 3 418.497 4.023 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C(C)C)[nH]n3)c2)cc1 ZINC000097544874 852625533 /nfs/dbraw/zinc/62/55/33/852625533.db2.gz BPKXXYAMJGROAC-UHFFFAOYSA-N -1 3 412.515 4.203 20 0 HIADHM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc2Cl)cc1 ZINC000098066433 852652275 /nfs/dbraw/zinc/65/22/75/852652275.db2.gz VZPPKWHMYJYNTI-UHFFFAOYSA-N -1 3 415.342 4.488 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)[C@@H]3Oc4ccccc4[C@H]3C)cc2)cc(=O)[n-]1 ZINC000437194080 862386568 /nfs/dbraw/zinc/38/65/68/862386568.db2.gz LIJVTKYMYAIOIN-XDEPDNQISA-N -1 3 404.470 4.232 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)c2)n1 ZINC000107752025 852793019 /nfs/dbraw/zinc/79/30/19/852793019.db2.gz DPMRURYEVNXEGP-UHFFFAOYSA-N -1 3 413.481 4.054 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1OC ZINC000108542324 852857765 /nfs/dbraw/zinc/85/77/65/852857765.db2.gz ARDQCQQZNZHZQG-UHFFFAOYSA-N -1 3 403.287 4.016 20 0 HIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1OC ZINC000108693556 852873045 /nfs/dbraw/zinc/87/30/45/852873045.db2.gz DXTYZRSLLDRZSY-UHFFFAOYSA-N -1 3 420.506 4.046 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)c(C)c1 ZINC000109650726 852994783 /nfs/dbraw/zinc/99/47/83/852994783.db2.gz NHQIXLRFGGCTFO-UHFFFAOYSA-N -1 3 417.531 4.212 20 0 HIADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1F ZINC000109819793 853018109 /nfs/dbraw/zinc/01/81/09/853018109.db2.gz HUMZOWIUQWBVLH-UHFFFAOYSA-N -1 3 412.202 4.086 20 0 HIADHM CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000111211399 853223746 /nfs/dbraw/zinc/22/37/46/853223746.db2.gz FEQDTMZRXYQMKY-UHFFFAOYSA-N -1 3 422.934 4.251 20 0 HIADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000115592194 853254782 /nfs/dbraw/zinc/25/47/82/853254782.db2.gz QDQHRSLYQMWLSR-UHFFFAOYSA-N -1 3 424.766 4.471 20 0 HIADHM O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000117433001 853356362 /nfs/dbraw/zinc/35/63/62/853356362.db2.gz YLBYIEYGUVIHFP-QFIPXVFZSA-N -1 3 416.477 4.106 20 0 HIADHM CCc1ncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)s1 ZINC000139743952 853420457 /nfs/dbraw/zinc/42/04/57/853420457.db2.gz PHNCMCOVRJCUPB-UHFFFAOYSA-N -1 3 419.503 4.206 20 0 HIADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2sc(C(C)(C)C)nc2C)cc1Cl ZINC000147139153 853582854 /nfs/dbraw/zinc/58/28/54/853582854.db2.gz DHDOIBCWMXKFQP-LBPRGKRZSA-N -1 3 405.907 4.372 20 0 HIADHM O=C([N-]c1nnc(C(F)F)s1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000195655822 853740493 /nfs/dbraw/zinc/74/04/93/853740493.db2.gz PRCWGAWMAUFFHK-UHFFFAOYSA-N -1 3 407.299 4.072 20 0 HIADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000195667292 853747209 /nfs/dbraw/zinc/74/72/09/853747209.db2.gz LUPZGOIMPQCOMF-WBVHZDCISA-N -1 3 404.507 4.183 20 0 HIADHM CC/C=C(/C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000214062848 853829053 /nfs/dbraw/zinc/82/90/53/853829053.db2.gz QRQCWNIVFWEQNK-APSNUPSMSA-N -1 3 402.516 4.489 20 0 HIADHM O=c1[n-]nc(SCc2cc(-c3ccc(Cl)cc3)no2)n1CCc1ccccc1 ZINC000247875159 854165576 /nfs/dbraw/zinc/16/55/76/854165576.db2.gz NRBPAQHYECFXKD-UHFFFAOYSA-N -1 3 412.902 4.415 20 0 HIADHM CSc1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cc1 ZINC000261454782 854268480 /nfs/dbraw/zinc/26/84/80/854268480.db2.gz JUEBCXYYLMEHJI-UHFFFAOYSA-N -1 3 403.301 4.355 20 0 HIADHM C[C@@H]1CCCN1C(=O)CCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000437293355 862549469 /nfs/dbraw/zinc/54/94/69/862549469.db2.gz XKGZTHJWKBUWPL-GFCCVEGCSA-N -1 3 403.529 4.291 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000301109950 854299649 /nfs/dbraw/zinc/29/96/49/854299649.db2.gz UZCLAEOPULAZOS-UHFFFAOYSA-N -1 3 417.296 4.497 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOc3cccc(Br)c3)nc2)n1 ZINC000301183500 854322061 /nfs/dbraw/zinc/32/20/61/854322061.db2.gz RQVGARVLNJYWKH-UHFFFAOYSA-N -1 3 415.291 4.060 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN([C@@H](C)c4ccccc4Cl)CC3)nc2)n1 ZINC000301190397 854324661 /nfs/dbraw/zinc/32/46/61/854324661.db2.gz YMJSUGALDNHOHV-INIZCTEOSA-N -1 3 423.948 4.343 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3nc(-c4cccc(Cl)c4)no3)nc2)n1 ZINC000301266923 854342958 /nfs/dbraw/zinc/34/29/58/854342958.db2.gz GUDUFKMYSIQILQ-UHFFFAOYSA-N -1 3 422.876 4.165 20 0 HIADHM Cc1nc(-c2ccc(NCc3ccc(Br)cc3F)nc2)[n-]c(=O)c1C ZINC000301396270 854381350 /nfs/dbraw/zinc/38/13/50/854381350.db2.gz MQZBLURVXBNZOC-UHFFFAOYSA-N -1 3 403.255 4.375 20 0 HIADHM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCN(C)CC2)cc1 ZINC000301492543 854407318 /nfs/dbraw/zinc/40/73/18/854407318.db2.gz KYYIMMRZRILTRZ-UHFFFAOYSA-N -1 3 407.967 4.016 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)nc2)n1 ZINC000302502648 854577234 /nfs/dbraw/zinc/57/72/34/854577234.db2.gz PFNZNSBDVWZKRV-IRXDYDNUSA-N -1 3 413.522 4.054 20 0 HIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCc4cc(Br)ccc4C3)nc2)n1 ZINC000302730428 854614315 /nfs/dbraw/zinc/61/43/15/854614315.db2.gz RWNJUBSDYYSUEM-UHFFFAOYSA-N -1 3 411.303 4.132 20 0 HIADHM O=S(=O)([N-]Cc1ccc(Br)c(F)c1)c1c(Cl)cccc1Cl ZINC000302975350 854704699 /nfs/dbraw/zinc/70/46/99/854704699.db2.gz JHEMDWZFIAOVQT-UHFFFAOYSA-N -1 3 413.095 4.374 20 0 HIADHM CCCc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1-c1cccc(Cl)c1 ZINC000303417866 854919808 /nfs/dbraw/zinc/91/98/08/854919808.db2.gz SZXIWSUDLTUBIK-UHFFFAOYSA-N -1 3 404.927 4.275 20 0 HIADHM O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1c[n-]c2ccccc2c1=O ZINC000303507843 854996220 /nfs/dbraw/zinc/99/62/20/854996220.db2.gz OBMFEXRPNZPCEV-UHFFFAOYSA-N -1 3 418.474 4.167 20 0 HIADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000303818947 855221093 /nfs/dbraw/zinc/22/10/93/855221093.db2.gz XBLIFNVDKZXPKC-YMTOWFKASA-N -1 3 424.769 4.219 20 0 HIADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cc([N+](=O)[O-])ccc1Br ZINC000321931027 855391345 /nfs/dbraw/zinc/39/13/45/855391345.db2.gz STBLQXCDMSHXMD-UHFFFAOYSA-N -1 3 413.640 4.268 20 0 HIADHM COc1cccc(C(=O)Nc2cc(Br)ccc2OC(F)(F)F)c1[O-] ZINC000399364409 855478379 /nfs/dbraw/zinc/47/83/79/855478379.db2.gz RMOJFAJJCYLEBO-UHFFFAOYSA-N -1 3 406.154 4.314 20 0 HIADHM O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1c[n-]c2ccccc2c1=O ZINC000409723909 855621299 /nfs/dbraw/zinc/62/12/99/855621299.db2.gz ASDYVDQBSSJMLE-UHFFFAOYSA-N -1 3 410.433 4.007 20 0 HIADHM COc1cccc(Cc2nnc([N-]C(=O)c3csc(Cc4ccccc4)n3)s2)c1 ZINC000410285168 855902688 /nfs/dbraw/zinc/90/26/88/855902688.db2.gz DTXHEBKTDSUCIP-UHFFFAOYSA-N -1 3 422.535 4.437 20 0 HIADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000426306497 856234635 /nfs/dbraw/zinc/23/46/35/856234635.db2.gz GGTZONQKVGLTDO-UHFFFAOYSA-N -1 3 412.906 4.003 20 0 HIADHM C[C@H](Sc1ncc(CO)n1C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000426537301 856338288 /nfs/dbraw/zinc/33/82/88/856338288.db2.gz FMRXTYXWZMDKSR-VIFPVBQESA-N -1 3 404.542 4.205 20 0 HIADHM Cc1nc(C(C)C)oc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000426606495 856370865 /nfs/dbraw/zinc/37/08/65/856370865.db2.gz YIHIOAPYHUMTMV-UHFFFAOYSA-N -1 3 415.251 4.371 20 0 HIADHM COC(=O)c1ccc(-c2nc(C(C)(C)c3cc(Br)ccc3F)no2)[n-]1 ZINC000426622653 856378443 /nfs/dbraw/zinc/37/84/43/856378443.db2.gz IGWZMJUTMZUFNZ-UHFFFAOYSA-N -1 3 408.227 4.079 20 0 HIADHM CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCCCC2 ZINC000426622327 856378905 /nfs/dbraw/zinc/37/89/05/856378905.db2.gz FENHHVMIMROMQH-UXHICEINSA-N -1 3 410.518 4.407 20 0 HIADHM Cc1ccc(C[C@H](CNCc2csc(COc3ccc(C)cc3)n2)C(=O)[O-])cc1 ZINC000426673085 856406096 /nfs/dbraw/zinc/40/60/96/856406096.db2.gz DJGWECLWRGUNAX-LJQANCHMSA-N -1 3 410.539 4.372 20 0 HIADHM CCOc1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc(Br)c1OC ZINC000426696818 856418438 /nfs/dbraw/zinc/41/84/38/856418438.db2.gz QPAFZZLUDHHKBG-AWEZNQCLSA-N -1 3 414.321 4.224 20 0 HIADHM COc1ccc(C(=O)Nc2cccc(CN[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])c2)cc1 ZINC000426714221 856429811 /nfs/dbraw/zinc/42/98/11/856429811.db2.gz BYCXEKGWBAYDDI-GAJHUEQPSA-N -1 3 418.493 4.499 20 0 HIADHM COc1ccc(OCc2nc(CN[C@@H](C(=O)[O-])C3(C)CCCCC3)cs2)cc1 ZINC000426746527 856451356 /nfs/dbraw/zinc/45/13/56/856451356.db2.gz JWJBTBDEBLNANJ-IBGZPJMESA-N -1 3 404.532 4.244 20 0 HIADHM O=C([O-])[C@@H](Cc1cccc(Br)c1)NCc1csc(-c2ccsc2)n1 ZINC000426749949 856453636 /nfs/dbraw/zinc/45/36/36/856453636.db2.gz JPVLOLSYUQIERT-OAHLLOKOSA-N -1 3 423.357 4.420 20 0 HIADHM O=C([O-])[C@H](Cc1cccc(Br)c1)NCc1csc(-c2ccsc2)n1 ZINC000426749948 856453761 /nfs/dbraw/zinc/45/37/61/856453761.db2.gz JPVLOLSYUQIERT-HNNXBMFYSA-N -1 3 423.357 4.420 20 0 HIADHM COc1cccc(CSC[C@@H](NCc2ccc(Cl)cc2Cl)C(=O)[O-])c1 ZINC000426752502 856455997 /nfs/dbraw/zinc/45/59/97/856455997.db2.gz AKJUKQFZZBVDTE-QGZVFWFLSA-N -1 3 400.327 4.478 20 0 HIADHM Cc1cc(Br)ccc1CN[C@@H](CC(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000426757341 856460134 /nfs/dbraw/zinc/46/01/34/856460134.db2.gz CKPUFQKIFJLMMM-IBGZPJMESA-N -1 3 414.303 4.249 20 0 HIADHM COc1ccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccc(C)cc3)s2)cc1OC ZINC000426780294 856474366 /nfs/dbraw/zinc/47/43/66/856474366.db2.gz QGRQDRVHVTVOLY-SFHVURJKSA-N -1 3 412.511 4.441 20 0 HIADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000426791798 856481569 /nfs/dbraw/zinc/48/15/69/856481569.db2.gz JSQUXBRQQQBISF-SFHVURJKSA-N -1 3 419.403 4.205 20 0 HIADHM O=C([O-])C[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1cccc(Br)c1 ZINC000426807090 856489120 /nfs/dbraw/zinc/48/91/20/856489120.db2.gz FWROJLUGUGTKAE-CQSZACIVSA-N -1 3 418.209 4.495 20 0 HIADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1OC ZINC000426815056 856494411 /nfs/dbraw/zinc/49/44/11/856494411.db2.gz CNQJHFPYGIEGRN-GOSISDBHSA-N -1 3 408.292 4.162 20 0 HIADHM CCCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)ccc1OC ZINC000426823153 856498268 /nfs/dbraw/zinc/49/82/68/856498268.db2.gz HVMBHXKZFSYQQA-GOSISDBHSA-N -1 3 408.292 4.162 20 0 HIADHM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427066046 856617996 /nfs/dbraw/zinc/61/79/96/856617996.db2.gz XRJVHYGIUBNMHY-GFCCVEGCSA-N -1 3 424.917 4.111 20 0 HIADHM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427066046 856618000 /nfs/dbraw/zinc/61/80/00/856618000.db2.gz XRJVHYGIUBNMHY-GFCCVEGCSA-N -1 3 424.917 4.111 20 0 HIADHM Cc1c2cc(Br)cc(C)c2oc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000427078101 856623532 /nfs/dbraw/zinc/62/35/32/856623532.db2.gz CAUWSEAWNZIGOP-UHFFFAOYSA-N -1 3 401.220 4.443 20 0 HIADHM CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000427115959 856647475 /nfs/dbraw/zinc/64/74/75/856647475.db2.gz DLMRTTAQDQHKHB-UHFFFAOYSA-N -1 3 408.405 4.658 20 0 HIADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4nc([C@@H]5CCCO5)[nH]c4c3)cc2s1 ZINC000427202723 856710405 /nfs/dbraw/zinc/71/04/05/856710405.db2.gz DFXLRUMDXOLYAN-KRWDZBQOSA-N -1 3 414.512 4.133 20 0 HIADHM O=C(CCc1nc2cc(Br)ccc2s1)NCc1ccc([O-])c(F)c1 ZINC000427951844 857019915 /nfs/dbraw/zinc/01/99/15/857019915.db2.gz QUGVRYNXOOCFLQ-UHFFFAOYSA-N -1 3 409.280 4.153 20 0 HIADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000437531602 862869320 /nfs/dbraw/zinc/86/93/20/862869320.db2.gz BSEOFUMBBZGUBC-QMTHXVAHSA-N -1 3 413.674 4.303 20 0 HIADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000428704579 857303233 /nfs/dbraw/zinc/30/32/33/857303233.db2.gz CAHVPTIZRKLLEX-CYBMUJFWSA-N -1 3 415.262 4.059 20 0 HIADHM CSc1cc2c(cc1[N-]C(=O)c1cc(Br)c(F)cc1F)OCCO2 ZINC000428903815 857403743 /nfs/dbraw/zinc/40/37/43/857403743.db2.gz FCMKHFKLXCHPFX-UHFFFAOYSA-N -1 3 416.243 4.473 20 0 HIADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1cc(Cl)ccc1Br ZINC000429850007 857910241 /nfs/dbraw/zinc/91/02/41/857910241.db2.gz SYHVBAFHGWRBNQ-CYBMUJFWSA-N -1 3 420.687 4.044 20 0 HIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)c3cccc(O)c3)c2)cc1 ZINC000430215785 858085729 /nfs/dbraw/zinc/08/57/29/858085729.db2.gz HJWCVXHDDYYMIC-QGZVFWFLSA-N -1 3 424.522 4.301 20 0 HIADHM CCCc1cc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)n(C)n1 ZINC000430589710 858228485 /nfs/dbraw/zinc/22/84/85/858228485.db2.gz BAWPOULVZXCSHA-UHFFFAOYSA-N -1 3 402.454 4.259 20 0 HIADHM CC[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(F)(F)F ZINC000430619320 858238438 /nfs/dbraw/zinc/23/84/38/858238438.db2.gz AZKAYYQGWJFEDP-JTQLQIEISA-N -1 3 411.605 4.015 20 0 HIADHM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000430704845 858274055 /nfs/dbraw/zinc/27/40/55/858274055.db2.gz OKOSMYDCAJVSTO-UHFFFAOYSA-N -1 3 406.204 4.391 20 0 HIADHM CCN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000430948145 858379142 /nfs/dbraw/zinc/37/91/42/858379142.db2.gz HBIPMGZITQYXKD-SNVBAGLBSA-N -1 3 423.361 4.005 20 0 HIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3)cc2)cc(=O)[n-]1 ZINC000431076661 858437130 /nfs/dbraw/zinc/43/71/30/858437130.db2.gz LGYWDXWNQLOLTE-SFHVURJKSA-N -1 3 423.904 4.211 20 0 HIADHM Cc1cc([C@H]2CCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)ccc1Br ZINC000431132405 858461404 /nfs/dbraw/zinc/46/14/04/858461404.db2.gz LMTLOUMHCRBPSV-GOSISDBHSA-N -1 3 418.335 4.166 20 0 HIADHM Cc1nsc(C)c1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000431271481 858541374 /nfs/dbraw/zinc/54/13/74/858541374.db2.gz ZQDZLZYKCXEXIJ-UHFFFAOYSA-N -1 3 401.513 4.121 20 0 HIADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)cc1 ZINC000432053389 858952170 /nfs/dbraw/zinc/95/21/70/858952170.db2.gz FMGZZSOPCNGTOX-UHFFFAOYSA-N -1 3 417.449 4.353 20 0 HIADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccccc3OC(F)(F)F)cc21 ZINC000432082139 858976335 /nfs/dbraw/zinc/97/63/35/858976335.db2.gz SKOPACBEOLFIES-UHFFFAOYSA-N -1 3 405.781 4.168 20 0 HIADHM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)cc2)cc1 ZINC000432191202 859038549 /nfs/dbraw/zinc/03/85/49/859038549.db2.gz IFBWCQRARAXIAK-UHFFFAOYSA-N -1 3 406.463 4.430 20 0 HIADHM CO[C@H]1CCC[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000432403310 859147170 /nfs/dbraw/zinc/14/71/70/859147170.db2.gz RLMLTVNEIDTTHR-WBVHZDCISA-N -1 3 420.506 4.079 20 0 HIADHM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cnc(C(F)(F)F)nc1 ZINC000432624114 859260572 /nfs/dbraw/zinc/26/05/72/859260572.db2.gz TZGNDUSBENYZTR-CYBMUJFWSA-N -1 3 405.405 4.067 20 0 HIADHM COC(=O)c1cnc(SCC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)[n-]1 ZINC000432673609 859284908 /nfs/dbraw/zinc/28/49/08/859284908.db2.gz XLMOTWMUWIYCML-UHFFFAOYSA-N -1 3 417.874 4.373 20 0 HIADHM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000432760530 859339961 /nfs/dbraw/zinc/33/99/61/859339961.db2.gz OCCXOKFCUXIWGL-UHFFFAOYSA-N -1 3 418.559 4.410 20 0 HIADHM Cc1c([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cccc1C(=O)Nc1ccccc1 ZINC000432765098 859344033 /nfs/dbraw/zinc/34/40/33/859344033.db2.gz AMJIITFDVLLXNU-UHFFFAOYSA-N -1 3 409.511 4.114 20 0 HIADHM Cc1c[nH]c(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)n1 ZINC000433035665 859493396 /nfs/dbraw/zinc/49/33/96/859493396.db2.gz NIPILRFNOCYHNN-UHFFFAOYSA-N -1 3 412.515 4.005 20 0 HIADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000433152771 859542982 /nfs/dbraw/zinc/54/29/82/859542982.db2.gz SPFFQPVCXGNABV-UHFFFAOYSA-N -1 3 420.687 4.286 20 0 HIADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)cccc21 ZINC000433170409 859551967 /nfs/dbraw/zinc/55/19/67/859551967.db2.gz WOTIZIZNSLDUSW-QGZVFWFLSA-N -1 3 414.449 4.033 20 0 HIADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(SC3CCCCC3)cc2C)c(C)o1 ZINC000434084299 860091159 /nfs/dbraw/zinc/09/11/59/860091159.db2.gz ICVXONIHZLZNJH-UHFFFAOYSA-N -1 3 422.572 4.482 20 0 HIADHM CCC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(Cl)c(Cl)c1 ZINC000434096432 860101414 /nfs/dbraw/zinc/10/14/14/860101414.db2.gz TVCMQTFBSNGAIZ-OAHLLOKOSA-N -1 3 419.330 4.074 20 0 HIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000434228119 860212850 /nfs/dbraw/zinc/21/28/50/860212850.db2.gz NDCHUNCCNGOSTR-UHFFFAOYSA-N -1 3 415.902 4.389 20 0 HIADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2ccccc2Cl)c(C)o1 ZINC000434227949 860213093 /nfs/dbraw/zinc/21/30/93/860213093.db2.gz MIJRBBBXZRAEOG-UHFFFAOYSA-N -1 3 420.874 4.194 20 0 HIADHM Cc1nc(C)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)s1 ZINC000434368172 860315799 /nfs/dbraw/zinc/31/57/99/860315799.db2.gz FJIAMIKBHWXXIY-UHFFFAOYSA-N -1 3 415.540 4.430 20 0 HIADHM Cc1csc(C2([N-]S(=O)(=O)c3cc(F)ccc3Br)CCCC2)n1 ZINC000435207918 860694856 /nfs/dbraw/zinc/69/48/56/860694856.db2.gz OMEGKDXJSDJWCN-UHFFFAOYSA-N -1 3 419.341 4.101 20 0 HIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cn3cc(-c4ccccc4)c(C)n3)c2)n1 ZINC000435568687 860889680 /nfs/dbraw/zinc/88/96/80/860889680.db2.gz PJUQKIOAVQEPKY-UHFFFAOYSA-N -1 3 413.481 4.222 20 0 HIADHM C[C@@H]1[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)[C@@H]1c1ccccc1 ZINC000435677540 860958595 /nfs/dbraw/zinc/95/85/95/860958595.db2.gz HDSCKJYPUVKOKM-MZPVMMEZSA-N -1 3 412.433 4.065 20 0 HIADHM CCCOc1c(Cl)cc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1OC ZINC000438363532 863827214 /nfs/dbraw/zinc/82/72/14/863827214.db2.gz HCFYFVPKMLDTHH-UHFFFAOYSA-N -1 3 417.849 4.053 20 0 HIADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1 ZINC000438755001 864247087 /nfs/dbraw/zinc/24/70/87/864247087.db2.gz DRENXIORLSARPJ-UHFFFAOYSA-N -1 3 403.422 4.008 20 0 HIADHM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(Br)c3)cc2F)c1 ZINC000438763422 864258994 /nfs/dbraw/zinc/25/89/94/864258994.db2.gz GJGCIRXVLQILPT-UHFFFAOYSA-N -1 3 424.295 4.192 20 0 HIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cn3)cc2)cc1OC ZINC000438776697 864271379 /nfs/dbraw/zinc/27/13/79/864271379.db2.gz NPFLPGIEZGMNKB-UHFFFAOYSA-N -1 3 420.874 4.345 20 0 HIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@H](C)C3(C)CC3)c2)cc1 ZINC000439021518 864475799 /nfs/dbraw/zinc/47/57/99/864475799.db2.gz KFIRKONGZPIJIR-MRXNPFEDSA-N -1 3 416.543 4.065 20 0 HIADHM O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439057851 864509951 /nfs/dbraw/zinc/50/99/51/864509951.db2.gz LIUZXBASONCLMG-IBGZPJMESA-N -1 3 412.461 4.096 20 0 HIADHM CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nc(C)cs1 ZINC000439060800 864511507 /nfs/dbraw/zinc/51/15/07/864511507.db2.gz QHAUVYAPFUNBLD-LJQANCHMSA-N -1 3 409.511 4.071 20 0 HIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000439096455 864538454 /nfs/dbraw/zinc/53/84/54/864538454.db2.gz KBNIKSKFKWTKDB-KRWDZBQOSA-N -1 3 415.704 4.364 20 0 HIADHM Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)NCc2ncccc2[O-])c1C ZINC000467910813 881776302 /nfs/dbraw/zinc/77/63/02/881776302.db2.gz PEOFQROPXDPGGS-UHFFFAOYSA-N -1 3 406.273 4.218 20 0 HIADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1cncs1 ZINC000439186517 864614636 /nfs/dbraw/zinc/61/46/36/864614636.db2.gz BCBXKVYZQUUEQG-LURJTMIESA-N -1 3 416.149 4.252 20 0 HIADHM Cc1csc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc2F)n1 ZINC000439255722 864671640 /nfs/dbraw/zinc/67/16/40/864671640.db2.gz XOEIQPDZIBXLOR-UHFFFAOYSA-N -1 3 406.460 4.119 20 0 HIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000467945391 881814296 /nfs/dbraw/zinc/81/42/96/881814296.db2.gz IYBOOMXRCCNQMO-MRXNPFEDSA-N -1 3 411.246 4.480 20 0 HIADHM C[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc2ccccc2c1 ZINC000439959200 865251875 /nfs/dbraw/zinc/25/18/75/865251875.db2.gz PSMMOPXCLHHVNY-QGZVFWFLSA-N -1 3 402.494 4.070 20 0 HIADHM O=C(NCc1cccc(-c2ccccn2)c1)NCc1ccc([O-])c(Br)c1 ZINC000440253668 865495876 /nfs/dbraw/zinc/49/58/76/865495876.db2.gz VXQUALNVGRLQFR-UHFFFAOYSA-N -1 3 412.287 4.216 20 0 HIADHM Cc1oc(C(=O)[N-]c2c(F)cc(F)cc2-c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000440596965 865829667 /nfs/dbraw/zinc/82/96/67/865829667.db2.gz HDIGXQUDIRWQAO-UHFFFAOYSA-N -1 3 420.437 4.036 20 0 HIADHM C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440949877 866042320 /nfs/dbraw/zinc/04/23/20/866042320.db2.gz KWPYUXHBFAFDGW-GFCCVEGCSA-N -1 3 407.451 4.019 20 0 HIADHM COc1ccc(-c2noc(CCC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)n2)cc1 ZINC000440996473 866071244 /nfs/dbraw/zinc/07/12/44/866071244.db2.gz YTSAFCGAZDOQIH-UHFFFAOYSA-N -1 3 407.348 4.041 20 0 HIADHM CCc1cc(=O)[n-]c(CSCc2ccnc(-c3ccc(Br)cc3)n2)n1 ZINC000441379314 866450326 /nfs/dbraw/zinc/45/03/26/866450326.db2.gz FPRCAZMQJQDQIJ-UHFFFAOYSA-N -1 3 417.332 4.398 20 0 HIADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000441714833 866817340 /nfs/dbraw/zinc/81/73/40/866817340.db2.gz KXMPBRXEDXALLR-UHFFFAOYSA-N -1 3 415.323 4.416 20 0 HIADHM O=S(=O)([N-]Cc1cccc(COCC(F)(F)F)c1)c1cccc(Cl)c1F ZINC000441864038 866931779 /nfs/dbraw/zinc/93/17/79/866931779.db2.gz HXWMTKTZDDRUKI-UHFFFAOYSA-N -1 3 411.804 4.037 20 0 HIADHM COc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)ccc1Br ZINC000442240432 867279381 /nfs/dbraw/zinc/27/93/81/867279381.db2.gz GQUHKEJOGQDWEF-UHFFFAOYSA-N -1 3 412.639 4.190 20 0 HIADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000442656827 867596376 /nfs/dbraw/zinc/59/63/76/867596376.db2.gz SBNGVKLWEDHLCX-AFBRZQFHSA-N -1 3 423.351 4.034 20 0 HIADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CCC(C)C)c1ccc(Cl)cc1 ZINC000443100604 867819256 /nfs/dbraw/zinc/81/92/56/867819256.db2.gz AXRLMMNTEIKRIW-CQSZACIVSA-N -1 3 416.952 4.039 20 0 HIADHM COCc1nc(C(=O)[N-]c2cc(-c3ccccc3F)on2)c(-c2ccccc2)s1 ZINC000443239354 867885979 /nfs/dbraw/zinc/88/59/79/867885979.db2.gz XVJCVIVRVMQACE-UHFFFAOYSA-N -1 3 409.442 5.003 20 0 HIADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000443400392 867958351 /nfs/dbraw/zinc/95/83/51/867958351.db2.gz QNPDJJKROZLAEY-UHFFFAOYSA-N -1 3 408.907 4.203 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)(C)CO)c1Cl ZINC000443483924 868066729 /nfs/dbraw/zinc/06/67/29/868066729.db2.gz KSNBIHNCFZCBLG-HNNXBMFYSA-N -1 3 416.370 4.382 20 0 HIADHM COC(=O)c1cc(C)nc2nc(S[C@H]3CCc4c3cccc4Cl)[n-]c(=O)c21 ZINC000443515417 868076462 /nfs/dbraw/zinc/07/64/62/868076462.db2.gz KEVGTYPDHSAYLD-AWEZNQCLSA-N -1 3 401.875 4.258 20 0 HIADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)C2CC2)n1 ZINC000443747017 868320391 /nfs/dbraw/zinc/32/03/91/868320391.db2.gz ROQJFELFSUMSNA-ZDUSSCGKSA-N -1 3 421.769 4.297 20 0 HIADHM COc1cccc(Oc2ccc(C[N-]S(=O)(=O)c3ccccc3SC)cn2)c1 ZINC000444060673 868598090 /nfs/dbraw/zinc/59/80/90/868598090.db2.gz SNCRYPKGMUCZLQ-UHFFFAOYSA-N -1 3 416.524 4.083 20 0 HIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1Cl ZINC000444215896 868670456 /nfs/dbraw/zinc/67/04/56/868670456.db2.gz BSOUUSKNIJMPTN-YGRLFVJLSA-N -1 3 420.280 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ZINC000557640064 943243752 /nfs/dbraw/zinc/24/37/52/943243752.db2.gz PBCYBHCOZMSVCR-VGOFRKELSA-N -1 3 416.525 4.073 20 0 HIADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccc(F)c1)c1cccnc1C(F)(F)F ZINC000557787159 943291805 /nfs/dbraw/zinc/29/18/05/943291805.db2.gz QTFADTHODIAKBT-KRWDZBQOSA-N -1 3 410.392 4.307 20 0 HIADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000558598250 943613322 /nfs/dbraw/zinc/61/33/22/943613322.db2.gz DQRKDBRHZHYMLR-GFCCVEGCSA-N -1 3 408.520 4.036 20 0 HIADHM C[C@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C1CCCCC1 ZINC000559092187 943835340 /nfs/dbraw/zinc/83/53/40/943835340.db2.gz FGUUJEOSGBEZCR-AWEZNQCLSA-N -1 3 407.942 4.375 20 0 HIADHM COC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)[n-]1 ZINC000559983399 944110023 /nfs/dbraw/zinc/11/00/23/944110023.db2.gz JEPRRKIGXRTTCP-UHFFFAOYSA-N -1 3 408.348 4.430 20 0 HIADHM Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2Cl)cc2[nH]ncc21 ZINC000560009588 944128519 /nfs/dbraw/zinc/12/85/19/944128519.db2.gz LNABJSAKAZUGGB-UHFFFAOYSA-N -1 3 400.685 4.088 20 0 HIADHM O=c1[n-]nc(SCc2ccc(OCc3ccncc3)cc2)n1CCc1ccccc1 ZINC000560566620 944256101 /nfs/dbraw/zinc/25/61/01/944256101.db2.gz VHDCJSKZAOOWBM-UHFFFAOYSA-N -1 3 418.522 4.493 20 0 HIADHM CC(C)[C@H]1N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC12CCC2 ZINC000560999140 944392046 /nfs/dbraw/zinc/39/20/46/944392046.db2.gz QBBIKGQHPSEJCR-HXUWFJFHSA-N -1 3 416.518 4.277 20 0 HIADHM O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000561107347 944456265 /nfs/dbraw/zinc/45/62/65/944456265.db2.gz LHTHBDHRTBSSQF-UHFFFAOYSA-N -1 3 420.416 4.378 20 0 HIADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000561696116 944751699 /nfs/dbraw/zinc/75/16/99/944751699.db2.gz UVMTUVNEIDNORG-UHFFFAOYSA-N -1 3 403.287 4.070 20 0 HIADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000566388582 946016806 /nfs/dbraw/zinc/01/68/06/946016806.db2.gz QJUWACMZQXNOEE-UHFFFAOYSA-N -1 3 412.298 4.126 20 0 HIADHM O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000566409176 946023497 /nfs/dbraw/zinc/02/34/97/946023497.db2.gz SVYDWPYFHQSRNW-UHFFFAOYSA-N -1 3 408.285 4.079 20 0 HIADHM CCCOC1(c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)CCCCC1 ZINC000566860430 946133397 /nfs/dbraw/zinc/13/33/97/946133397.db2.gz XKMHCAFDOOAWJV-MRXNPFEDSA-N -1 3 407.536 4.004 20 0 HIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccccc1Cn1ccnc1 ZINC000568035710 946449125 /nfs/dbraw/zinc/44/91/25/946449125.db2.gz HGFMCEVIEXLLFG-UHFFFAOYSA-N -1 3 415.902 4.118 20 0 HIADHM CC(C)(Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)C(F)(F)F ZINC000568563985 946600196 /nfs/dbraw/zinc/60/01/96/946600196.db2.gz PONMQASNKOZQHD-UHFFFAOYSA-N -1 3 416.201 4.415 20 0 HIADHM O=C1C[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c2ccccc21 ZINC000570485078 947263870 /nfs/dbraw/zinc/26/38/70/947263870.db2.gz URKFPIWDLKHXHQ-AWEZNQCLSA-N -1 3 422.242 4.003 20 0 HIADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000573036814 948066122 /nfs/dbraw/zinc/06/61/22/948066122.db2.gz AYLCFHKFICIGMT-UHFFFAOYSA-N -1 3 408.455 4.086 20 0 HIADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)cc1Cl ZINC000573491213 948217797 /nfs/dbraw/zinc/21/77/97/948217797.db2.gz ZVDHSKZYVSGTBI-NSHDSACASA-N -1 3 423.318 4.118 20 0 HIADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000574185174 948381539 /nfs/dbraw/zinc/38/15/39/948381539.db2.gz OZVXRPXCGGBRTD-MSOLQXFVSA-N -1 3 407.436 4.203 20 0 HIADHM Cc1nc2cc(Br)cc([N-]C(=O)c3ncsc3Br)c2o1 ZINC000574235830 948393599 /nfs/dbraw/zinc/39/35/99/948393599.db2.gz NSTVJNKLGYBRLU-UHFFFAOYSA-N -1 3 417.082 4.370 20 0 HIADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1sc2ccccc2c1Br ZINC000575913016 948778440 /nfs/dbraw/zinc/77/84/40/948778440.db2.gz NWSHFHINDJMXQU-UHFFFAOYSA-N -1 3 414.288 4.020 20 0 HIADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1sc2ccccc2c1Br ZINC000575913016 948778445 /nfs/dbraw/zinc/77/84/45/948778445.db2.gz NWSHFHINDJMXQU-UHFFFAOYSA-N -1 3 414.288 4.020 20 0 HIADHM