smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@](C)([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(N)=O ZINC000311442800 747898925 /nfs/dbraw/zinc/89/89/25/747898925.db2.gz GZYAMFIYYPKZJP-JTQLQIEISA-N -1 3 309.750 0.806 10 0 DCAEHM O=S(=O)([N-]C[C@H]1CCCS1(=O)=O)c1cccnc1F ZINC000401809109 774066850 /nfs/dbraw/zinc/06/68/50/774066850.db2.gz DEUBNTNZAYBLPI-MRVPVSSYSA-N -1 3 308.356 0.076 10 0 DCAEHM Cc1ccc([O-])c(CN2CCN(C(=O)C(=O)NC3CC3)CC2)n1 ZINC000091930013 193128188 /nfs/dbraw/zinc/12/81/88/193128188.db2.gz SGYAFMVPTUBUFH-UHFFFAOYSA-N -1 3 318.377 0.018 10 0 DCAEHM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([O-])cc1 ZINC000019731563 182139404 /nfs/dbraw/zinc/13/94/04/182139404.db2.gz PVGJZAYOGVYILA-SECBINFHSA-N -1 3 305.377 0.200 10 0 DCAEHM CN(CCCCO)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000351792228 254369164 /nfs/dbraw/zinc/36/91/64/254369164.db2.gz VZUGJJGYNOLSLV-UHFFFAOYSA-N -1 3 300.380 0.903 10 0 DCAEHM CN(C)CCc1nc2ccccc2c(N[C@@H](CO)C(=O)[O-])n1 ZINC000001316821 395680791 /nfs/dbraw/zinc/68/07/91/395680791.db2.gz KVSTZXYHPWUNBB-LBPRGKRZSA-N -1 3 304.350 0.591 10 0 DCAEHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000089783364 395715350 /nfs/dbraw/zinc/71/53/50/395715350.db2.gz UONFOTWXTBVBES-SECBINFHSA-N -1 3 303.384 0.739 10 0 DCAEHM CN(CCN(C)c1ccccc1)C(=O)CN1CC(=O)[N-]C1=O ZINC000111616867 395810545 /nfs/dbraw/zinc/81/05/45/395810545.db2.gz NWCZCQBRDBZBQD-UHFFFAOYSA-N -1 3 304.350 0.133 10 0 DCAEHM COCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000109136216 395796219 /nfs/dbraw/zinc/79/62/19/395796219.db2.gz PCERSHFPKXCVJR-ZDUSSCGKSA-N -1 3 314.407 0.252 10 0 DCAEHM C[C@@H](O)CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000118719923 395863716 /nfs/dbraw/zinc/86/37/16/395863716.db2.gz LXCFZYGQKDPQRW-RKDXNWHRSA-N -1 3 306.409 0.302 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000119515758 395872571 /nfs/dbraw/zinc/87/25/71/395872571.db2.gz HTFXFUJGUJEDQG-LBPRGKRZSA-N -1 3 319.336 0.769 10 0 DCAEHM CC(C)(CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1F ZINC000155300781 396049469 /nfs/dbraw/zinc/04/94/69/396049469.db2.gz BSMHELWROGMMQE-NSHDSACASA-N -1 3 307.325 0.818 10 0 DCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C(N)=O)C(C)(C)C)c1 ZINC000152788997 396016208 /nfs/dbraw/zinc/01/62/08/396016208.db2.gz FPDLLBZHHVYZAD-JTQLQIEISA-N -1 3 302.400 0.642 10 0 DCAEHM Cc1cc(C)c(CCNC(=O)CN2CC(=O)[N-]C2=O)c(C)c1 ZINC000171864809 396126831 /nfs/dbraw/zinc/12/68/31/396126831.db2.gz WDNDOIRFMDYDKV-UHFFFAOYSA-N -1 3 303.362 0.822 10 0 DCAEHM C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)O1 ZINC000527550682 396540205 /nfs/dbraw/zinc/54/02/05/396540205.db2.gz ADIXQGMEOCHVNX-MWLCHTKSSA-N -1 3 310.354 0.200 10 0 DCAEHM C[C@H](OCc1ccccc1)C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000303092377 396725142 /nfs/dbraw/zinc/72/51/42/396725142.db2.gz XPYOUQWJEDFCDC-MEDUHNTESA-N -1 3 317.345 0.402 10 0 DCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@@H]1CCCc2cccnc21 ZINC000375496527 396759275 /nfs/dbraw/zinc/75/92/75/396759275.db2.gz PSONLBCKKZLJSW-LLVKDONJSA-N -1 3 302.334 0.469 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000630575528 397050568 /nfs/dbraw/zinc/05/05/68/397050568.db2.gz OMFHJVDIGVLQSC-CQSZACIVSA-N -1 3 319.405 0.817 10 0 DCAEHM COC(=O)c1oc(CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000370499879 397494117 /nfs/dbraw/zinc/49/41/17/397494117.db2.gz OKSNEWZAVCNOLJ-HNNXBMFYSA-N -1 3 321.333 0.549 10 0 DCAEHM COc1ccc([O-])c(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1 ZINC000284604874 286337874 /nfs/dbraw/zinc/33/78/74/286337874.db2.gz SYMQKEOBZKBEDS-HIFRSBDPSA-N -1 3 306.362 0.946 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000129307252 158287551 /nfs/dbraw/zinc/28/75/51/158287551.db2.gz YLQLFQKXBRGZAF-AXFHLTTASA-N -1 3 322.427 0.660 10 0 DCAEHM CCN1CCN(C(=O)CN2CC(=O)[N-]C2=O)c2ccccc21 ZINC000172516789 158394911 /nfs/dbraw/zinc/39/49/11/158394911.db2.gz OERZCPPLKKVESC-UHFFFAOYSA-N -1 3 302.334 0.411 10 0 DCAEHM O=S(=O)([N-]C[C@H]1CN(C2CC2)CCO1)c1cncc(F)c1 ZINC000329756673 159117146 /nfs/dbraw/zinc/11/71/46/159117146.db2.gz MJJJOMWSCOAIBF-LBPRGKRZSA-N -1 3 315.370 0.362 10 0 DCAEHM Cn1[n-]c(CN2CCC[C@]2(CO)Cc2ccccc2)nc1=O ZINC000330032980 159136945 /nfs/dbraw/zinc/13/69/45/159136945.db2.gz VFROTZRNCWCOIS-MRXNPFEDSA-N -1 3 302.378 0.678 10 0 DCAEHM C[C@@H]1CCOCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000367715829 159351948 /nfs/dbraw/zinc/35/19/48/159351948.db2.gz CQJGFLGGWORSFO-SNVBAGLBSA-N -1 3 318.420 0.664 10 0 DCAEHM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2cccc([O-])c2)C1=O ZINC000367998875 159369681 /nfs/dbraw/zinc/36/96/81/159369681.db2.gz IIHNUROZGKWHPZ-ZBEGNZNMSA-N -1 3 317.345 0.843 10 0 DCAEHM C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000408222922 160063302 /nfs/dbraw/zinc/06/33/02/160063302.db2.gz RZYVAIACCXHYFA-BMIGLBTASA-N -1 3 311.382 0.232 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H](C)O)ccc1F ZINC000084300065 415496763 /nfs/dbraw/zinc/49/67/63/415496763.db2.gz NPQSTGWNILVJCU-MRVPVSSYSA-N -1 3 304.343 0.235 10 0 DCAEHM CCCS(=O)(=O)[N-][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174043253 416071440 /nfs/dbraw/zinc/07/14/40/416071440.db2.gz XWVPHAQRPOTCHR-NSHDSACASA-N -1 3 314.411 0.553 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1nc[nH]n1 ZINC000183207251 416238159 /nfs/dbraw/zinc/23/81/59/416238159.db2.gz MWSVHOLGZJYDEI-ZCFIWIBFSA-N -1 3 304.763 0.540 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1nnc[nH]1 ZINC000183207251 416238162 /nfs/dbraw/zinc/23/81/62/416238162.db2.gz MWSVHOLGZJYDEI-ZCFIWIBFSA-N -1 3 304.763 0.540 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436821583 416572186 /nfs/dbraw/zinc/57/21/86/416572186.db2.gz LSSYMGMKYMKNDN-MNOVXSKESA-N -1 3 322.361 0.887 10 0 DCAEHM CCc1nc(C(C)(C)NC(=O)c2cn(C)c(=O)[n-]c2=O)no1 ZINC000441703522 416680009 /nfs/dbraw/zinc/68/00/09/416680009.db2.gz SDPSFBVFOXSAMQ-UHFFFAOYSA-N -1 3 307.310 0.096 10 0 DCAEHM Cc1nc(C)c(CCC(=O)N2CCNC[C@](C)(F)C2)c(=O)[n-]1 ZINC000517142715 416783528 /nfs/dbraw/zinc/78/35/28/416783528.db2.gz WQUKVOWMJHJNBI-HNNXBMFYSA-N -1 3 310.373 0.892 10 0 DCAEHM Cc1ccc(C(=O)C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000447743041 417022246 /nfs/dbraw/zinc/02/22/46/417022246.db2.gz FZRPCMZLCKGADU-MRXNPFEDSA-N -1 3 315.329 0.378 10 0 DCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)COc1cnn(C)c1 ZINC000570767851 417389959 /nfs/dbraw/zinc/38/99/59/417389959.db2.gz QMYNNFOZAFPRDW-UHFFFAOYSA-N -1 3 307.310 0.646 10 0 DCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)COc1cnn(C)c1 ZINC000570767851 417389962 /nfs/dbraw/zinc/38/99/62/417389962.db2.gz QMYNNFOZAFPRDW-UHFFFAOYSA-N -1 3 307.310 0.646 10 0 DCAEHM C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000393021070 262161525 /nfs/dbraw/zinc/16/15/25/262161525.db2.gz RLEZUTBMQFTSPY-WRWORJQWSA-N -1 3 304.318 0.910 10 0 DCAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@H](CO)C2CC2)c([O-])c1 ZINC000436618294 271602417 /nfs/dbraw/zinc/60/24/17/271602417.db2.gz KTPVRZYWFFMBNL-CYBMUJFWSA-N -1 3 320.389 0.955 10 0 DCAEHM O=C(Cc1cncc([O-])c1)N1CC[C@@H](CN2CCOC2=O)C1 ZINC000496683582 272335050 /nfs/dbraw/zinc/33/50/50/272335050.db2.gz PMHVHYZCMRLGDZ-LLVKDONJSA-N -1 3 305.334 0.630 10 0 DCAEHM CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc3nn[n-]c31)CC2 ZINC000187995646 333008708 /nfs/dbraw/zinc/00/87/08/333008708.db2.gz HNFBEBPBFWMITA-VIFPVBQESA-N -1 3 311.349 0.857 10 0 DCAEHM CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc3[n-]nnc31)CC2 ZINC000187995646 333008709 /nfs/dbraw/zinc/00/87/09/333008709.db2.gz HNFBEBPBFWMITA-VIFPVBQESA-N -1 3 311.349 0.857 10 0 DCAEHM CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc3n[n-]nc31)CC2 ZINC000187995646 333008711 /nfs/dbraw/zinc/00/87/11/333008711.db2.gz HNFBEBPBFWMITA-VIFPVBQESA-N -1 3 311.349 0.857 10 0 DCAEHM CCOc1ncccc1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366083116 521613380 /nfs/dbraw/zinc/61/33/80/521613380.db2.gz JETRVCMEEBQBGL-OAHLLOKOSA-N -1 3 318.333 0.295 10 0 DCAEHM CC[C@@H](CO)N1CCN(C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000156721169 522555546 /nfs/dbraw/zinc/55/55/46/522555546.db2.gz VOEAZUYDFKZUGH-LBPRGKRZSA-N -1 3 308.378 0.930 10 0 DCAEHM CC(=O)[C@@](C)(O)CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000330875950 527139364 /nfs/dbraw/zinc/13/93/64/527139364.db2.gz WROCGGRPBAQZRW-INIZCTEOSA-N -1 3 306.362 0.490 10 0 DCAEHM O=C1[N-]C(=O)N2CCN(c3ncnc4c(F)cccc43)C[C@H]12 ZINC000575443808 546299038 /nfs/dbraw/zinc/29/90/38/546299038.db2.gz ONPVKJWKSWHHNN-SNVBAGLBSA-N -1 3 301.281 0.509 10 0 DCAEHM CC[N@H+](CC(=O)[O-])C1CC([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000262765269 662571732 /nfs/dbraw/zinc/57/17/32/662571732.db2.gz GHAXHIGLBGCNDP-UHFFFAOYSA-N -1 3 300.252 0.941 10 0 DCAEHM CC[N@@H+](CC(=O)[O-])C1CC([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000262765269 662571733 /nfs/dbraw/zinc/57/17/33/662571733.db2.gz GHAXHIGLBGCNDP-UHFFFAOYSA-N -1 3 300.252 0.941 10 0 DCAEHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC000131818901 669686412 /nfs/dbraw/zinc/68/64/12/669686412.db2.gz ACVUDCZOYLINFI-NXEZZACHSA-N -1 3 314.345 0.697 10 0 DCAEHM CO[C@H](C(=O)[O-])C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000713250266 670154872 /nfs/dbraw/zinc/15/48/72/670154872.db2.gz HAVUJVIONCCNRX-UBHSHLNASA-N -1 3 306.362 0.865 10 0 DCAEHM O=S(=O)([N-][C@H]1CCCC12OCCO2)c1cccnc1F ZINC000716026620 670227704 /nfs/dbraw/zinc/22/77/04/670227704.db2.gz MBPWFXJKYMTUQC-JTQLQIEISA-N -1 3 302.327 0.795 10 0 DCAEHM CCOc1nnc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000228771582 1180399605 /nfs/dbraw/zinc/39/96/05/1180399605.db2.gz WSKYBZPEFPIWDS-ZETCQYMHSA-N -1 3 320.396 0.062 10 0 DCAEHM CCOc1nc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)n[n-]1 ZINC000228771582 1180399610 /nfs/dbraw/zinc/39/96/10/1180399610.db2.gz WSKYBZPEFPIWDS-ZETCQYMHSA-N -1 3 320.396 0.062 10 0 DCAEHM CCOc1n[n-]c(NC(=O)CS[C@H]2CCS(=O)(=O)C2)n1 ZINC000228771582 1180399617 /nfs/dbraw/zinc/39/96/17/1180399617.db2.gz WSKYBZPEFPIWDS-ZETCQYMHSA-N -1 3 320.396 0.062 10 0 DCAEHM CC(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cccnc1F ZINC000401824031 774067321 /nfs/dbraw/zinc/06/73/21/774067321.db2.gz LCNOGZOXLHBCOI-UHFFFAOYSA-N -1 3 310.372 0.322 10 0 DCAEHM C[S@@](=O)C1(C[N-]S(=O)(=O)c2cccnc2F)CCC1 ZINC000401912173 774071033 /nfs/dbraw/zinc/07/10/33/774071033.db2.gz UMERURAMFOGJAF-GOSISDBHSA-N -1 3 306.384 0.800 10 0 DCAEHM O=C([O-])CS(=O)(=O)CCNC[C@@H]1CCC2(CCCC2)O1 ZINC000691873496 954688359 /nfs/dbraw/zinc/68/83/59/954688359.db2.gz FMYQJKODOUMRMY-NSHDSACASA-N -1 3 305.396 0.567 10 0 DCAEHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)c1 ZINC000181399364 199291275 /nfs/dbraw/zinc/29/12/75/199291275.db2.gz CJHGIYJMAGPSGO-ZDUSSCGKSA-N -1 3 317.411 0.531 10 0 DCAEHM C[C@H]1CCCN1S(=O)(=O)[N-]c1cnn(-c2ncccn2)c1 ZINC000185252286 237295905 /nfs/dbraw/zinc/29/59/05/237295905.db2.gz OQFNDTICWFDRGY-JTQLQIEISA-N -1 3 308.367 0.803 10 0 DCAEHM O=C([O-])CCn1c(=O)c2ccccc2nc1N1CCNCC1 ZINC000040351825 183055767 /nfs/dbraw/zinc/05/57/67/183055767.db2.gz UPEVWZVUKHFYML-UHFFFAOYSA-N -1 3 302.334 0.281 10 0 DCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CCCN1C ZINC000104866881 194048720 /nfs/dbraw/zinc/04/87/20/194048720.db2.gz YAOCDTIGLAQTHL-LBPRGKRZSA-N -1 3 317.393 0.392 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000109940002 194299586 /nfs/dbraw/zinc/29/95/86/194299586.db2.gz GHRUTMJCWMGZSO-JGVFFNPUSA-N -1 3 307.272 0.776 10 0 DCAEHM Cc1csc(CC[N-]S(=O)(=O)c2cn(C)nc2N)n1 ZINC000063132678 184272844 /nfs/dbraw/zinc/27/28/44/184272844.db2.gz CUOJWROOCCBXOE-UHFFFAOYSA-N -1 3 301.397 0.288 10 0 DCAEHM COc1cccc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1[O-] ZINC000284495855 131086728 /nfs/dbraw/zinc/08/67/28/131086728.db2.gz NGCVLLKIUXJQPO-STQMWFEESA-N -1 3 306.362 0.946 10 0 DCAEHM COC(=O)c1sccc1[N-]S(=O)(=O)N1CCNCC1 ZINC000034958629 395718433 /nfs/dbraw/zinc/71/84/33/395718433.db2.gz YYZWSNWMRRSOBL-UHFFFAOYSA-N -1 3 305.381 0.097 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000115715213 395840502 /nfs/dbraw/zinc/84/05/02/395840502.db2.gz CYCXLXICLCNLFU-LBPRGKRZSA-N -1 3 316.361 0.323 10 0 DCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000245445343 395929473 /nfs/dbraw/zinc/92/94/73/395929473.db2.gz YUROLMRTWJQVEV-WOPDTQHZSA-N -1 3 319.365 0.471 10 0 DCAEHM COCCCCn1cc(I)c(=O)[n-]c1=O ZINC000228749224 395872980 /nfs/dbraw/zinc/87/29/80/395872980.db2.gz SOMPNOKZOAHIHM-UHFFFAOYSA-N -1 3 324.118 0.568 10 0 DCAEHM C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000272252044 395879731 /nfs/dbraw/zinc/87/97/31/395879731.db2.gz ZJSNTJYBNANTJN-JTQLQIEISA-N -1 3 308.382 0.288 10 0 DCAEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C1 ZINC000152052435 395999396 /nfs/dbraw/zinc/99/93/96/395999396.db2.gz MUDUECPJSXXXIQ-LLVKDONJSA-N -1 3 316.379 0.829 10 0 DCAEHM CC(C)[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccnc1 ZINC000152451136 396010022 /nfs/dbraw/zinc/01/00/22/396010022.db2.gz KRDQNSAIQMPHSP-RYUDHWBXSA-N -1 3 304.350 0.536 10 0 DCAEHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C1CCCC1 ZINC000176481093 396155547 /nfs/dbraw/zinc/15/55/47/396155547.db2.gz HTOXFGZHTPTQMX-SNVBAGLBSA-N -1 3 314.411 0.393 10 0 DCAEHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000176538373 396156413 /nfs/dbraw/zinc/15/64/13/396156413.db2.gz SZIZOSVULDIEFX-YPMHNXCESA-N -1 3 301.346 0.943 10 0 DCAEHM CCCCCOCC(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000263014372 396197606 /nfs/dbraw/zinc/19/76/06/396197606.db2.gz ZBDIOWQMLYBAHP-ZDUSSCGKSA-N -1 3 316.398 0.437 10 0 DCAEHM C[C@H]1CN(C(=O)c2cccc3[n-]nnc32)C[C@@H]1N1CCOCC1 ZINC000182787969 396254526 /nfs/dbraw/zinc/25/45/26/396254526.db2.gz FWZSHVKZRUPCBM-FZMZJTMJSA-N -1 3 315.377 0.751 10 0 DCAEHM C[C@H]1CN(C(=O)c2cccc3nn[n-]c32)C[C@@H]1N1CCOCC1 ZINC000182787969 396254529 /nfs/dbraw/zinc/25/45/29/396254529.db2.gz FWZSHVKZRUPCBM-FZMZJTMJSA-N -1 3 315.377 0.751 10 0 DCAEHM C[C@H]1CN(C(=O)c2cccc3n[n-]nc32)C[C@@H]1N1CCOCC1 ZINC000182787969 396254533 /nfs/dbraw/zinc/25/45/33/396254533.db2.gz FWZSHVKZRUPCBM-FZMZJTMJSA-N -1 3 315.377 0.751 10 0 DCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CNCC[C@@H]2C)o1 ZINC000193409186 396450600 /nfs/dbraw/zinc/45/06/00/396450600.db2.gz LELOLZDVSQSZRR-VHSXEESVSA-N -1 3 316.379 0.733 10 0 DCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H]1CCN(C(C)=O)C1 ZINC000563687056 396769849 /nfs/dbraw/zinc/76/98/49/396769849.db2.gz LCSYDZIFGZHIBZ-JTQLQIEISA-N -1 3 308.338 0.702 10 0 DCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H]1CCN(C(C)=O)C1 ZINC000563687056 396769853 /nfs/dbraw/zinc/76/98/53/396769853.db2.gz LCSYDZIFGZHIBZ-JTQLQIEISA-N -1 3 308.338 0.702 10 0 DCAEHM O=S(=O)([N-][C@H]1CCOC[C@H]1O)c1cc(F)ccc1Cl ZINC000625595891 396941594 /nfs/dbraw/zinc/94/15/94/396941594.db2.gz ZCLCPIHJYRILSQ-VHSXEESVSA-N -1 3 309.746 0.907 10 0 DCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cn(C)nn2)s1 ZINC000611935561 396951255 /nfs/dbraw/zinc/95/12/55/396951255.db2.gz WFNFYXXEPLYSSR-UHFFFAOYSA-N -1 3 316.364 0.142 10 0 DCAEHM NC(=O)CO[N-]C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000089465405 158097350 /nfs/dbraw/zinc/09/73/50/158097350.db2.gz WNFQVAPTYLEQHR-RXMQYKEDSA-N -1 3 306.244 0.067 10 0 DCAEHM C[C@@H](CO)[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000131221932 158300286 /nfs/dbraw/zinc/30/02/86/158300286.db2.gz VFKPQOXINUAUOF-VHSXEESVSA-N -1 3 320.436 0.550 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](O)C1 ZINC000176029861 158432811 /nfs/dbraw/zinc/43/28/11/158432811.db2.gz DBXPRMWHQVXQTD-UWVGGRQHSA-N -1 3 316.354 0.086 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)C[C@@H](C)O1 ZINC000408003327 160007898 /nfs/dbraw/zinc/00/78/98/160007898.db2.gz JLTLNEPXNUJRHW-IWSPIJDZSA-N -1 3 320.333 0.243 10 0 DCAEHM Cc1noc([C@@H](C)[N-]S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000408160704 160049931 /nfs/dbraw/zinc/04/99/31/160049931.db2.gz JTWOELPRVBQRHJ-HRDYMLBCSA-N -1 3 304.372 0.383 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cn1C ZINC000408237557 160066357 /nfs/dbraw/zinc/06/63/57/160066357.db2.gz OURKGWBPWMYFEH-FBIMIBRVSA-N -1 3 312.395 0.016 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-]CC(=O)OC(C)(C)C)[C@H](C)CO1 ZINC000408238441 160067185 /nfs/dbraw/zinc/06/71/85/160067185.db2.gz XHRHTRDLHALONP-NXEZZACHSA-N -1 3 308.400 0.272 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cn1C ZINC000408237750 160067223 /nfs/dbraw/zinc/06/72/23/160067223.db2.gz OURKGWBPWMYFEH-IEBDPFPHSA-N -1 3 312.395 0.016 10 0 DCAEHM CN(C)c1nc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc(=O)[n-]1 ZINC000408242362 160067674 /nfs/dbraw/zinc/06/76/74/160067674.db2.gz STEJNBDGSKMJNJ-XXILOJSOSA-N -1 3 306.366 0.792 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1CCC[C@H](C)C1)[C@H]1CCCO1 ZINC000408393039 160099088 /nfs/dbraw/zinc/09/90/88/160099088.db2.gz KZCYIDUTPXQPEL-RWMBFGLXSA-N -1 3 306.428 0.747 10 0 DCAEHM CN(C)[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccs1 ZINC000153239925 287048489 /nfs/dbraw/zinc/04/84/89/287048489.db2.gz YMAFAOQOLRPAHK-IUCAKERBSA-N -1 3 310.379 0.065 10 0 DCAEHM CC(=O)[C@](C)(O)CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000331251215 287145635 /nfs/dbraw/zinc/14/56/35/287145635.db2.gz XIXLMBRNGBKKID-MRXNPFEDSA-N -1 3 306.362 0.490 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cnn(C)c1C ZINC000152607328 415968636 /nfs/dbraw/zinc/96/86/36/415968636.db2.gz NLLNHZFIOTWVJD-UHFFFAOYSA-N -1 3 317.802 0.902 10 0 DCAEHM C[C@H](CNC(=O)CN1CC(=O)[N-]C1=O)c1ccc(F)cc1F ZINC000174335294 416075206 /nfs/dbraw/zinc/07/52/06/416075206.db2.gz DDHLKFHLVHYZGN-MRVPVSSYSA-N -1 3 311.288 0.736 10 0 DCAEHM CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000408453437 287325519 /nfs/dbraw/zinc/32/55/19/287325519.db2.gz RRMUCLDWNTZXMK-ZIBATOQPSA-N -1 3 309.366 0.392 10 0 DCAEHM CN(C)c1nc(CS(=O)(=O)c2nc(C3CC3)n[n-]2)ns1 ZINC000180209490 416194276 /nfs/dbraw/zinc/19/42/76/416194276.db2.gz VPKPABGYDFXWCW-UHFFFAOYSA-N -1 3 314.396 0.574 10 0 DCAEHM CN(C)c1nc(CS(=O)(=O)c2nnc(C3CC3)[n-]2)ns1 ZINC000180209490 416194280 /nfs/dbraw/zinc/19/42/80/416194280.db2.gz VPKPABGYDFXWCW-UHFFFAOYSA-N -1 3 314.396 0.574 10 0 DCAEHM CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(O)cc1[O-])CC2 ZINC000182451028 416222867 /nfs/dbraw/zinc/22/28/67/416222867.db2.gz IYSDKCXHFNFMIO-SECBINFHSA-N -1 3 302.334 0.997 10 0 DCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCCN1CCC1)c2=O ZINC000532790610 416455594 /nfs/dbraw/zinc/45/55/94/416455594.db2.gz DNDOKRYMYJFFIL-UHFFFAOYSA-N -1 3 301.346 0.972 10 0 DCAEHM CN(C)c1nc(C(=O)N2CCC3(C2)CCOCC3)cc(=O)[n-]1 ZINC000407989313 417134221 /nfs/dbraw/zinc/13/42/21/417134221.db2.gz JECVZPQHDIOAPG-UHFFFAOYSA-N -1 3 306.366 0.891 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000272452107 295541435 /nfs/dbraw/zinc/54/14/35/295541435.db2.gz JSAFNGWHBYLEOB-MNOVXSKESA-N -1 3 321.308 0.754 10 0 DCAEHM CC(C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000135841168 298108762 /nfs/dbraw/zinc/10/87/62/298108762.db2.gz KLVWWNAUWGIIJX-BXKDBHETSA-N -1 3 311.359 0.630 10 0 DCAEHM Cc1ccc([O-])c(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)n1 ZINC000123304833 545755707 /nfs/dbraw/zinc/75/57/07/545755707.db2.gz NRQPLSMORHWOKM-CYBMUJFWSA-N -1 3 318.421 0.880 10 0 DCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(Cc3nc(-c4ccoc4)no3)C2)N1 ZINC000192658777 545927716 /nfs/dbraw/zinc/92/77/16/545927716.db2.gz KKHYFOFOXWRWQX-AWEZNQCLSA-N -1 3 317.305 0.504 10 0 DCAEHM Cn1cc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c(=O)[n-]c1=O ZINC000333487331 546083466 /nfs/dbraw/zinc/08/34/66/546083466.db2.gz IICALYORTYHYCT-IZXSPOQTSA-N -1 3 303.362 0.994 10 0 DCAEHM COC(=O)[C@@H]1CN(CCC[N-]C(=O)C(F)(F)F)C[C@@H](C)O1 ZINC000091591991 658876312 /nfs/dbraw/zinc/87/63/12/658876312.db2.gz VXKONPWMARIYCN-BDAKNGLRSA-N -1 3 312.288 0.317 10 0 DCAEHM O=C(c1cc2c(cc1[O-])OCO2)N1CCN2CCOC[C@H]2C1 ZINC000436983507 663604884 /nfs/dbraw/zinc/60/48/84/663604884.db2.gz WWFUOYHGCIKCMF-SNVBAGLBSA-N -1 3 306.318 0.278 10 0 DCAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)[N-]OCc1ccccc1 ZINC000119391321 667124124 /nfs/dbraw/zinc/12/41/24/667124124.db2.gz QNKUGRZDFWHRSX-TZMCWYRMSA-N -1 3 305.378 0.820 10 0 DCAEHM O=S(=O)([N-]CCCn1ccnn1)c1cccnc1Cl ZINC000126709946 668646505 /nfs/dbraw/zinc/64/65/05/668646505.db2.gz HVMWYLMXDUUILL-UHFFFAOYSA-N -1 3 301.759 0.695 10 0 DCAEHM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC000131819092 669686874 /nfs/dbraw/zinc/68/68/74/669686874.db2.gz ACVUDCZOYLINFI-ZJUUUORDSA-N -1 3 314.345 0.697 10 0 DCAEHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2cccnc2F)CCS1(=O)=O ZINC000401843016 768877248 /nfs/dbraw/zinc/87/72/48/768877248.db2.gz SNSXAKIETNSUFX-HTQZYQBOSA-N -1 3 308.356 0.075 10 0 DCAEHM Cc1cnc(CCNCCS(=O)(=O)CC(=O)[O-])c(C)c1 ZINC000689395611 954659588 /nfs/dbraw/zinc/65/95/88/954659588.db2.gz UQFQLAAKQXZUIG-UHFFFAOYSA-N -1 3 300.380 0.330 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H]2C(F)(F)F)cn1 ZINC000408522074 530027778 /nfs/dbraw/zinc/02/77/78/530027778.db2.gz CMVPAJNJPSMOIO-QMMMGPOBSA-N -1 3 323.296 0.767 10 0 DCAEHM O=C(NCc1ncccc1[O-])[C@@H]1COCCN1CC(F)F ZINC000330773111 232056572 /nfs/dbraw/zinc/05/65/72/232056572.db2.gz QBQZWMPQAHAHTK-JTQLQIEISA-N -1 3 301.293 0.369 10 0 DCAEHM CN1CCN(CCNC(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000181824796 199358064 /nfs/dbraw/zinc/35/80/64/199358064.db2.gz UMARQIFNWHQMBZ-UHFFFAOYSA-N -1 3 311.813 0.952 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cnn(-c2ccccc2)c1 ZINC000153853800 291208662 /nfs/dbraw/zinc/20/86/62/291208662.db2.gz ONTOTBJLWFSSJM-LBPRGKRZSA-N -1 3 313.317 0.087 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(=O)[C@@H](C)C2)cn1 ZINC000281442364 216303588 /nfs/dbraw/zinc/30/35/88/216303588.db2.gz CNZQGSLBXGPCAO-VIFPVBQESA-N -1 3 311.363 0.041 10 0 DCAEHM C[C@H]1CCCN(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)C1 ZINC000340596310 253282116 /nfs/dbraw/zinc/28/21/16/253282116.db2.gz OCKNUJMXZFUAKA-IUCAKERBSA-N -1 3 304.334 0.866 10 0 DCAEHM COc1ccc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c([O-])c1 ZINC000285299072 131155478 /nfs/dbraw/zinc/15/54/78/131155478.db2.gz PLISFBSYZXFWIX-ZFWWWQNUSA-N -1 3 306.362 0.946 10 0 DCAEHM COC(=O)CC[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000041041060 395735212 /nfs/dbraw/zinc/73/52/12/395735212.db2.gz ZWUWEDHOLZJMCS-UHFFFAOYSA-N -1 3 319.335 0.524 10 0 DCAEHM O=C(NCCCCO)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000195010957 395813290 /nfs/dbraw/zinc/81/32/90/395813290.db2.gz HMKIJMPGHWQTAQ-ZDUSSCGKSA-N -1 3 306.362 0.886 10 0 DCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC1(C)COC1 ZINC000112693444 395821829 /nfs/dbraw/zinc/82/18/29/395821829.db2.gz YNOMIBCMRURGEN-SECBINFHSA-N -1 3 318.420 0.568 10 0 DCAEHM COC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000154957747 396045067 /nfs/dbraw/zinc/04/50/67/396045067.db2.gz KDXGXJRPBKMLJU-VIFPVBQESA-N -1 3 306.409 0.425 10 0 DCAEHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000176538391 396156630 /nfs/dbraw/zinc/15/66/30/396156630.db2.gz SZIZOSVULDIEFX-AAEUAGOBSA-N -1 3 301.346 0.943 10 0 DCAEHM COc1nnc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)[n-]1 ZINC000182983866 396258429 /nfs/dbraw/zinc/25/84/29/396258429.db2.gz VFQNVECCCASXNM-UHFFFAOYSA-N -1 3 301.306 0.958 10 0 DCAEHM COc1nc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)n[n-]1 ZINC000182983866 396258431 /nfs/dbraw/zinc/25/84/31/396258431.db2.gz VFQNVECCCASXNM-UHFFFAOYSA-N -1 3 301.306 0.958 10 0 DCAEHM COc1n[n-]c(NC(=O)c2ccc(C(=O)NC3CC3)cc2)n1 ZINC000182983866 396258436 /nfs/dbraw/zinc/25/84/36/396258436.db2.gz VFQNVECCCASXNM-UHFFFAOYSA-N -1 3 301.306 0.958 10 0 DCAEHM CNS(=O)(=O)NC1CCN(Cc2nc(C)ccc2[O-])CC1 ZINC000291485890 396493872 /nfs/dbraw/zinc/49/38/72/396493872.db2.gz GEAVZDNMQQCJCT-UHFFFAOYSA-N -1 3 314.411 0.114 10 0 DCAEHM O=C(NCCCN1CCCS1(=O)=O)c1ccc2n[n-]nc2c1 ZINC000585735957 396651851 /nfs/dbraw/zinc/65/18/51/396651851.db2.gz MNTNYXIPZDWNDW-UHFFFAOYSA-N -1 3 323.378 0.113 10 0 DCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)NC1CCCCCC1 ZINC000377295737 397063183 /nfs/dbraw/zinc/06/31/83/397063183.db2.gz BDKFASNTFHGEJT-MRXNPFEDSA-N -1 3 322.409 0.499 10 0 DCAEHM COC(=O)CCN(C)S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000398032121 397313644 /nfs/dbraw/zinc/31/36/44/397313644.db2.gz LTRYRQVFVVIYOF-MRVPVSSYSA-N -1 3 300.327 0.504 10 0 DCAEHM CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc([O-])cc1 ZINC000049039251 158009450 /nfs/dbraw/zinc/00/94/50/158009450.db2.gz SOBGMXSUMRBPJT-UHFFFAOYSA-N -1 3 300.380 0.881 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000129296312 158287662 /nfs/dbraw/zinc/28/76/62/158287662.db2.gz RNAXXTGJHDPIGT-VIFPVBQESA-N -1 3 303.384 0.912 10 0 DCAEHM COc1cccc(CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)n1 ZINC000328784904 159028807 /nfs/dbraw/zinc/02/88/07/159028807.db2.gz VWHMEFIDMZXBLU-SNVBAGLBSA-N -1 3 304.306 0.236 10 0 DCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@@H]1C)C(C)C ZINC000408237974 160066756 /nfs/dbraw/zinc/06/67/56/160066756.db2.gz SGMMDRKZORBJPJ-DCAQKATOSA-N -1 3 308.400 0.128 10 0 DCAEHM CCc1cnccc1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000408448819 160109971 /nfs/dbraw/zinc/10/99/71/160109971.db2.gz BDQGCPNPDUVZOP-HNNXBMFYSA-N -1 3 302.334 0.458 10 0 DCAEHM CCc1nnc([N-]C(=O)c2cc3c(cn2)nc[nH]c3=O)s1 ZINC000186034695 287057396 /nfs/dbraw/zinc/05/73/96/287057396.db2.gz ZYQPSQSIJNLKJN-UHFFFAOYSA-N -1 3 302.319 0.984 10 0 DCAEHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000276152353 415441533 /nfs/dbraw/zinc/44/15/33/415441533.db2.gz DELZXARNXXYZEN-ZETCQYMHSA-N -1 3 307.272 0.728 10 0 DCAEHM CN1CCO[C@@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C[C@H]21 ZINC000284387497 415598682 /nfs/dbraw/zinc/59/86/82/415598682.db2.gz BBFPYFMEKMVTNC-ZIAGYGMSSA-N -1 3 301.350 0.503 10 0 DCAEHM COc1nnc(NC(=O)CNC(=O)c2ccc(F)cc2F)[n-]1 ZINC000126699326 415879410 /nfs/dbraw/zinc/87/94/10/415879410.db2.gz DOIZMUXRQBJPOS-UHFFFAOYSA-N -1 3 311.248 0.460 10 0 DCAEHM COc1nc(NC(=O)CNC(=O)c2ccc(F)cc2F)n[n-]1 ZINC000126699326 415879414 /nfs/dbraw/zinc/87/94/14/415879414.db2.gz DOIZMUXRQBJPOS-UHFFFAOYSA-N -1 3 311.248 0.460 10 0 DCAEHM COc1n[n-]c(NC(=O)CNC(=O)c2ccc(F)cc2F)n1 ZINC000126699326 415879417 /nfs/dbraw/zinc/87/94/17/415879417.db2.gz DOIZMUXRQBJPOS-UHFFFAOYSA-N -1 3 311.248 0.460 10 0 DCAEHM Cc1ccc([C@@H](C)NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1F ZINC000130855470 415922753 /nfs/dbraw/zinc/92/27/53/415922753.db2.gz XCAXXRVWQGLKMS-SSDOTTSWSA-N -1 3 306.297 0.584 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1nc2c(s1)CCCCC2 ZINC000171761879 416040566 /nfs/dbraw/zinc/04/05/66/416040566.db2.gz KBMCKRJYSPVOEI-UHFFFAOYSA-N -1 3 308.363 0.902 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000175358468 416104595 /nfs/dbraw/zinc/10/45/95/416104595.db2.gz OEMFFZWFILKLLX-UTUOFQBUSA-N -1 3 318.395 0.911 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(c2ccncc2)CC1 ZINC000192287080 416303983 /nfs/dbraw/zinc/30/39/83/416303983.db2.gz NWNPBVDYQNJBRB-UHFFFAOYSA-N -1 3 302.334 0.339 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000436716762 416567329 /nfs/dbraw/zinc/56/73/29/416567329.db2.gz QWWRIGPSFMMNGG-QWRGUYRKSA-N -1 3 322.361 0.887 10 0 DCAEHM O=C(COC1CCCCC1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000369292317 416745839 /nfs/dbraw/zinc/74/58/39/416745839.db2.gz DRPHUCKZNDUBSH-OAHLLOKOSA-N -1 3 309.366 0.536 10 0 DCAEHM CN1CCO[C@@H]2CN(C(=O)c3cc(=O)c4ccccc4[n-]3)C[C@@H]21 ZINC000426991310 416792159 /nfs/dbraw/zinc/79/21/59/416792159.db2.gz PQDSYBOZAWQPIG-GOEBONIOSA-N -1 3 313.357 0.683 10 0 DCAEHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(F)F ZINC000451078132 417298501 /nfs/dbraw/zinc/29/85/01/417298501.db2.gz DZHLPJJKKUOELI-QMMMGPOBSA-N -1 3 309.338 0.707 10 0 DCAEHM NC(=O)c1coc(C[N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000188244891 261125599 /nfs/dbraw/zinc/12/55/99/261125599.db2.gz RFHFNMVXYMCCAA-SNVBAGLBSA-N -1 3 302.352 0.367 10 0 DCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000356939991 261485963 /nfs/dbraw/zinc/48/59/63/261485963.db2.gz SQMGMJFAGPGVRY-ZFWWWQNUSA-N -1 3 319.361 0.506 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@@H]2C)nc1C ZINC000392903206 262161329 /nfs/dbraw/zinc/16/13/29/262161329.db2.gz PPSNUFYRVZDSPV-PSASIEDQSA-N -1 3 300.384 0.157 10 0 DCAEHM COc1c([N-]S(=O)(=O)N2CCC[C@H]2C)cccc1C(N)=O ZINC000471972186 272033595 /nfs/dbraw/zinc/03/35/95/272033595.db2.gz YRJIZZHZBMOAHK-SECBINFHSA-N -1 3 313.379 0.935 10 0 DCAEHM COC(=O)[C@H]1CCN(C(=O)c2cccc([O-])c2)[C@H](C(=O)OC)C1 ZINC000540964621 287913184 /nfs/dbraw/zinc/91/31/84/287913184.db2.gz DJMUYBOOMXZAMN-AAEUAGOBSA-N -1 3 321.329 0.959 10 0 DCAEHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1 ZINC000547434376 288045823 /nfs/dbraw/zinc/04/58/23/288045823.db2.gz XLOQSPAQWKZYLD-SECBINFHSA-N -1 3 319.408 0.626 10 0 DCAEHM CC[C@H](Cn1cc(I)c(=O)[n-]c1=O)OC ZINC000397014997 337243400 /nfs/dbraw/zinc/24/34/00/337243400.db2.gz OYFNSOJWSZHCPE-ZCFIWIBFSA-N -1 3 324.118 0.979 10 0 DCAEHM COc1ccsc1S(=O)(=O)[N-]CCc1nc(C)no1 ZINC000157147163 524880590 /nfs/dbraw/zinc/88/05/90/524880590.db2.gz OZUYABYKCADZBV-UHFFFAOYSA-N -1 3 303.365 0.969 10 0 DCAEHM O=c1[n-]c(=O)n(C[C@@H]2CCOC2)cc1I ZINC000307107695 546021054 /nfs/dbraw/zinc/02/10/54/546021054.db2.gz ZLZCJFKSENNXTJ-LURJTMIESA-N -1 3 322.102 0.590 10 0 DCAEHM O=C1[N-]C(=O)N2CCN(c3ncnc4c(F)cccc43)C[C@@H]12 ZINC000575443807 546298917 /nfs/dbraw/zinc/29/89/17/546298917.db2.gz ONPVKJWKSWHHNN-JTQLQIEISA-N -1 3 301.281 0.509 10 0 DCAEHM COc1ncc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CO)s1 ZINC000311756341 659359685 /nfs/dbraw/zinc/35/96/85/659359685.db2.gz VTRZKKXLJYHIFS-BDAKNGLRSA-N -1 3 306.409 0.981 10 0 DCAEHM CNC(=O)[C@H](NC(=O)c1nnc2ccccc2c1[O-])C(C)C ZINC000178688993 661467170 /nfs/dbraw/zinc/46/71/70/661467170.db2.gz KYGPCLVSRVLTPH-LLVKDONJSA-N -1 3 302.334 0.424 10 0 DCAEHM COc1nnc(NC(=O)CNC(=O)c2ccccc2Cl)[n-]1 ZINC000158881888 1180565237 /nfs/dbraw/zinc/56/52/37/1180565237.db2.gz LMQJYGQXESAPAG-UHFFFAOYSA-N -1 3 309.713 0.835 10 0 DCAEHM COc1nc(NC(=O)CNC(=O)c2ccccc2Cl)n[n-]1 ZINC000158881888 1180565240 /nfs/dbraw/zinc/56/52/40/1180565240.db2.gz LMQJYGQXESAPAG-UHFFFAOYSA-N -1 3 309.713 0.835 10 0 DCAEHM COc1n[n-]c(NC(=O)CNC(=O)c2ccccc2Cl)n1 ZINC000158881888 1180565243 /nfs/dbraw/zinc/56/52/43/1180565243.db2.gz LMQJYGQXESAPAG-UHFFFAOYSA-N -1 3 309.713 0.835 10 0 DCAEHM CCCN(CC)CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689200781 968889738 /nfs/dbraw/zinc/88/97/38/968889738.db2.gz QFKWYZUZJPBXME-NSHDSACASA-N -1 3 307.416 0.102 10 0 DCAEHM O=C([O-])CCC1CCN(CCN2CCCS2(=O)=O)CC1 ZINC000695239331 976788676 /nfs/dbraw/zinc/78/86/76/976788676.db2.gz XVXQPLAHFZFSFW-UHFFFAOYSA-N -1 3 304.412 0.599 10 0 DCAEHM C[C@H](CNCCOc1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC000697554308 976848192 /nfs/dbraw/zinc/84/81/92/976848192.db2.gz OLYGLTONYURDLC-SNVBAGLBSA-N -1 3 301.364 0.786 10 0 DCAEHM Cc1ccc2[nH]c(CNC(=O)CN3CC(=O)[N-]C3=O)nc2c1 ZINC000174888617 198398184 /nfs/dbraw/zinc/39/81/84/198398184.db2.gz IEBYSCZAPFJUKD-UHFFFAOYSA-N -1 3 301.306 0.039 10 0 DCAEHM Cc1ccc2nc(CNC(=O)CN3CC(=O)[N-]C3=O)[nH]c2c1 ZINC000174888617 198398186 /nfs/dbraw/zinc/39/81/86/198398186.db2.gz IEBYSCZAPFJUKD-UHFFFAOYSA-N -1 3 301.306 0.039 10 0 DCAEHM CN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H](c2ccccc2)C1 ZINC000106557012 194229773 /nfs/dbraw/zinc/22/97/73/194229773.db2.gz JVIKOVARIHRIBV-STQMWFEESA-N -1 3 316.361 0.100 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2CCN(C)[C@H](c3nc(C)no3)C2)n1 ZINC000284966846 131127565 /nfs/dbraw/zinc/12/75/65/131127565.db2.gz RQQOALOIMHDIAB-LBPRGKRZSA-N -1 3 318.381 0.925 10 0 DCAEHM CC(C)c1nc(N(C)C)nc(N2CCC[C@H](c3nnn[n-]3)C2)n1 ZINC000097234752 395756368 /nfs/dbraw/zinc/75/63/68/395756368.db2.gz CILNSSFSQANUOA-JTQLQIEISA-N -1 3 317.401 0.958 10 0 DCAEHM CC(C)c1nc(N(C)C)nc(N2CCC[C@H](c3nn[n-]n3)C2)n1 ZINC000097234752 395756370 /nfs/dbraw/zinc/75/63/70/395756370.db2.gz CILNSSFSQANUOA-JTQLQIEISA-N -1 3 317.401 0.958 10 0 DCAEHM COc1cc(Cc2c(N)nc(N)[n-]c2=O)cc(OC)c1OC ZINC000097975064 395761334 /nfs/dbraw/zinc/76/13/34/395761334.db2.gz LVHDAYVZBWCTEV-QMMMGPOBSA-N -1 3 306.322 0.083 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cccc(-c2ccccn2)c1 ZINC000152949471 396018643 /nfs/dbraw/zinc/01/86/43/396018643.db2.gz QCPZJDYGOWJCJR-UHFFFAOYSA-N -1 3 324.340 0.917 10 0 DCAEHM COc1ccc(Cc2noc(CN3CC(=O)[N-]C3=O)n2)cc1 ZINC000077890251 396236540 /nfs/dbraw/zinc/23/65/40/396236540.db2.gz RZTOFNGLSPGTIR-UHFFFAOYSA-N -1 3 302.290 0.721 10 0 DCAEHM CC(C)C[C@@H](CN(C)C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000187177115 396364623 /nfs/dbraw/zinc/36/46/23/396364623.db2.gz CIFGGXVYUBPJNH-VIFPVBQESA-N 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/nfs/dbraw/zinc/31/21/25/397312125.db2.gz YCURNBITXUANPD-MRVPVSSYSA-N -1 3 304.318 0.912 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(Br)cc1 ZINC000070079137 158045993 /nfs/dbraw/zinc/04/59/93/158045993.db2.gz ZISBPWCGWYTOIX-UHFFFAOYSA-N -1 3 312.123 0.939 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)[C@H](C)CO ZINC000167329832 158368300 /nfs/dbraw/zinc/36/83/00/158368300.db2.gz ACTCPTWYOIJICV-SFYZADRCSA-N -1 3 319.379 0.978 10 0 DCAEHM COc1cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc(C)n1 ZINC000328663884 159018564 /nfs/dbraw/zinc/01/85/64/159018564.db2.gz YETXLZRHHVVDEG-SNVBAGLBSA-N -1 3 304.306 0.615 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCc3c[nH]nc3C2)nc1C ZINC000329160503 159069034 /nfs/dbraw/zinc/06/90/34/159069034.db2.gz DUHXKIZPQJMGOV-LLVKDONJSA-N -1 3 309.395 0.770 10 0 DCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)NC3CCCC3)C2)N1 ZINC000329416663 159090409 /nfs/dbraw/zinc/09/04/09/159090409.db2.gz GFKREACSDNVKJY-LBPRGKRZSA-N -1 3 316.383 0.482 10 0 DCAEHM O=S(=O)([N-]C[C@@H]1CN(C2CC2)CCO1)c1cncc(F)c1 ZINC000329756672 159117002 /nfs/dbraw/zinc/11/70/02/159117002.db2.gz MJJJOMWSCOAIBF-GFCCVEGCSA-N -1 3 315.370 0.362 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCn3nc(C)nc32)nc1C ZINC000408058489 160025849 /nfs/dbraw/zinc/02/58/49/160025849.db2.gz KGYXRFLLOGXYOG-LLVKDONJSA-N -1 3 324.410 0.925 10 0 DCAEHM Cc1noc([C@H](C)[N-]S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)n1 ZINC000408233906 160065615 /nfs/dbraw/zinc/06/56/15/160065615.db2.gz BXTIZMIBFJHICB-CIUDSAMLSA-N -1 3 304.372 0.383 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000408393034 160099212 /nfs/dbraw/zinc/09/92/12/160099212.db2.gz KZCYIDUTPXQPEL-AGIUHOORSA-N -1 3 306.428 0.747 10 0 DCAEHM CN(C)[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000153603065 415984592 /nfs/dbraw/zinc/98/45/92/415984592.db2.gz JFYYIFROAOZBIM-RYUDHWBXSA-N -1 3 322.340 0.143 10 0 DCAEHM Cc1ccc2c(c1)[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@@H](C)C2 ZINC000181104991 416204539 /nfs/dbraw/zinc/20/45/39/416204539.db2.gz JNPRXDWXUJWXQF-DUFXMDAXSA-N -1 3 301.346 0.943 10 0 DCAEHM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000182212732 416215858 /nfs/dbraw/zinc/21/58/58/416215858.db2.gz FPDTYSQGYDGMPE-JQWIXIFHSA-N -1 3 302.334 0.543 10 0 DCAEHM CC(C)c1nnc(CS(=O)(=O)c2nc(C3CC3)n[n-]2)n1C ZINC000183514884 416244108 /nfs/dbraw/zinc/24/41/08/416244108.db2.gz KWAYHLSYVATDTG-UHFFFAOYSA-N -1 3 310.383 0.908 10 0 DCAEHM CC(C)c1nnc(CS(=O)(=O)c2nnc(C3CC3)[n-]2)n1C ZINC000183514884 416244112 /nfs/dbraw/zinc/24/41/12/416244112.db2.gz KWAYHLSYVATDTG-UHFFFAOYSA-N -1 3 310.383 0.908 10 0 DCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NC[C@H](CO)C1CC1 ZINC000359778742 416357647 /nfs/dbraw/zinc/35/76/47/416357647.db2.gz QWOVELGDVDJUEQ-SNVBAGLBSA-N -1 3 318.420 0.161 10 0 DCAEHM COC(=O)C1([N-]S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CCCC1 ZINC000408238088 417148686 /nfs/dbraw/zinc/14/86/86/417148686.db2.gz SVSTYIBFJCEBCK-QWRGUYRKSA-N -1 3 320.411 0.416 10 0 DCAEHM CC[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000408453436 417164229 /nfs/dbraw/zinc/16/42/29/417164229.db2.gz RRMUCLDWNTZXMK-ZETOZRRWSA-N -1 3 309.366 0.392 10 0 DCAEHM COc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c([O-])c1 ZINC000391356617 262160385 /nfs/dbraw/zinc/16/03/85/262160385.db2.gz BVWWALREKWQQRX-OAHLLOKOSA-N -1 3 319.317 0.215 10 0 DCAEHM COc1c([N-]S(=O)(=O)N2CCC[C@@H]2C)cccc1C(N)=O ZINC000471972194 272033645 /nfs/dbraw/zinc/03/36/45/272033645.db2.gz YRJIZZHZBMOAHK-VIFPVBQESA-N -1 3 313.379 0.935 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CCN(C2CCC2)C1 ZINC000293620553 288055399 /nfs/dbraw/zinc/05/53/99/288055399.db2.gz FPWJJDKYWBBMQY-NSHDSACASA-N -1 3 320.393 0.432 10 0 DCAEHM CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1=O ZINC000333194329 279469061 /nfs/dbraw/zinc/46/90/61/279469061.db2.gz SZQRQZBUFGHOBG-NOOOWODRSA-N -1 3 314.407 0.630 10 0 DCAEHM O=C1N[C@H](c2ccc([O-])c(Br)c2)N2CCOC[C@H]12 ZINC000093884251 280299939 /nfs/dbraw/zinc/29/99/39/280299939.db2.gz XLQKWDQVVWJEHX-KOLCDFICSA-N -1 3 313.151 0.984 10 0 DCAEHM Cc1cc(CN[C@@]2(C(=O)[O-])CCOC2)ccc1-n1cncn1 ZINC000551057975 288222641 /nfs/dbraw/zinc/22/26/41/288222641.db2.gz QIYXGAIFSLUENT-HNNXBMFYSA-N -1 3 302.334 0.909 10 0 DCAEHM CCOCCN(C)S(=O)(=O)c1[n-]ncc1C(=O)OCC ZINC000157096530 519904544 /nfs/dbraw/zinc/90/45/44/519904544.db2.gz DZQPWYADWIMRDD-UHFFFAOYSA-N -1 3 305.356 0.243 10 0 DCAEHM CCOCCN(C)S(=O)(=O)c1n[n-]cc1C(=O)OCC ZINC000157096530 519904546 /nfs/dbraw/zinc/90/45/46/519904546.db2.gz DZQPWYADWIMRDD-UHFFFAOYSA-N -1 3 305.356 0.243 10 0 DCAEHM COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CN(C)CCO1 ZINC000157175647 524881881 /nfs/dbraw/zinc/88/18/81/524881881.db2.gz PQCVJNYXAGEBGO-SECBINFHSA-N -1 3 306.409 0.366 10 0 DCAEHM COc1nnc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[n-]1 ZINC000158196966 524980006 /nfs/dbraw/zinc/98/00/06/524980006.db2.gz VHQSZSWPVUVSFC-YFKPBYRVSA-N -1 3 307.232 0.163 10 0 DCAEHM COc1nc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n[n-]1 ZINC000158196966 524980017 /nfs/dbraw/zinc/98/00/17/524980017.db2.gz VHQSZSWPVUVSFC-YFKPBYRVSA-N -1 3 307.232 0.163 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n1 ZINC000158196966 524980028 /nfs/dbraw/zinc/98/00/28/524980028.db2.gz VHQSZSWPVUVSFC-YFKPBYRVSA-N -1 3 307.232 0.163 10 0 DCAEHM CC(=O)N1CC[C@@H](C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1 ZINC000519058407 546281163 /nfs/dbraw/zinc/28/11/63/546281163.db2.gz YXWGWOOVXCGWMH-GFCCVEGCSA-N -1 3 314.349 0.597 10 0 DCAEHM CC(=O)N1CC[C@@H](C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1 ZINC000519058407 546281167 /nfs/dbraw/zinc/28/11/67/546281167.db2.gz YXWGWOOVXCGWMH-GFCCVEGCSA-N -1 3 314.349 0.597 10 0 DCAEHM CO[C@]1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CCOC1 ZINC000530453568 546288399 /nfs/dbraw/zinc/28/83/99/546288399.db2.gz XWVIKKDHZBPWQH-CQSZACIVSA-N -1 3 303.322 0.535 10 0 DCAEHM CO[C@]1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CCOC1 ZINC000530453568 546288404 /nfs/dbraw/zinc/28/84/04/546288404.db2.gz XWVIKKDHZBPWQH-CQSZACIVSA-N -1 3 303.322 0.535 10 0 DCAEHM COc1ncc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CO)s1 ZINC000311756347 659359308 /nfs/dbraw/zinc/35/93/08/659359308.db2.gz VTRZKKXLJYHIFS-RKDXNWHRSA-N -1 3 306.409 0.981 10 0 DCAEHM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000071188958 666026819 /nfs/dbraw/zinc/02/68/19/666026819.db2.gz HAOZXEITHVTAST-SNVBAGLBSA-N -1 3 316.379 0.858 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)NC1CC(C(=O)[O-])C1 ZINC000702431092 666956409 /nfs/dbraw/zinc/95/64/09/666956409.db2.gz RKTBPYDJCJZNOY-RUXDESIVSA-N -1 3 305.378 0.425 10 0 DCAEHM CO[C@](C)(CO)C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000702556971 666969216 /nfs/dbraw/zinc/96/92/16/666969216.db2.gz UHYREMWCSIQRHK-JTQLQIEISA-N -1 3 312.750 0.550 10 0 DCAEHM C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)[N-]OCc1ccccc1 ZINC000119391019 667123994 /nfs/dbraw/zinc/12/39/94/667123994.db2.gz QNKUGRZDFWHRSX-OCCSQVGLSA-N -1 3 305.378 0.820 10 0 DCAEHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000111570784 671265825 /nfs/dbraw/zinc/26/58/25/671265825.db2.gz BHLCZROODRDBPR-UWVGGRQHSA-N -1 3 314.345 0.649 10 0 DCAEHM Cc1cc(C(=O)NCCNC(=O)c2ccccc2[O-])n(C)n1 ZINC000065669668 1173746367 /nfs/dbraw/zinc/74/63/67/1173746367.db2.gz LOGZESCPCABNJS-UHFFFAOYSA-N -1 3 302.334 0.594 10 0 DCAEHM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCc1nnc[nH]1 ZINC000080567559 1174479698 /nfs/dbraw/zinc/47/96/98/1174479698.db2.gz ROYXWZPKQMZRTG-UHFFFAOYSA-N -1 3 308.367 0.281 10 0 DCAEHM COC[C@]1(C(=O)[O-])CCN(CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000696832619 954820827 /nfs/dbraw/zinc/82/08/27/954820827.db2.gz CQFYGLCVSRZROW-YPMHNXCESA-N -1 3 305.396 0.234 10 0 DCAEHM C[C@@H]1CC[C@H](C)N(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000088694419 185262585 /nfs/dbraw/zinc/26/25/85/185262585.db2.gz IHFUZIOBQJGBPH-MNOVXSKESA-N -1 3 314.411 0.345 10 0 DCAEHM COC(=O)Nc1nc2ccc(S(=O)(=O)CCCO)cc2[n-]1 ZINC000005115560 181205180 /nfs/dbraw/zinc/20/51/80/181205180.db2.gz OZBZMHKHSDPUGF-UHFFFAOYSA-N -1 3 313.335 0.319 10 0 in-vitro DCAEHM COC(=O)Nc1nc2cc(S(=O)(=O)CCCO)ccc2[n-]1 ZINC000005115560 181205183 /nfs/dbraw/zinc/20/51/83/181205183.db2.gz OZBZMHKHSDPUGF-UHFFFAOYSA-N -1 3 313.335 0.319 10 0 in-vitro DCAEHM COc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)[n-]1 ZINC000179371827 199023220 /nfs/dbraw/zinc/02/32/20/199023220.db2.gz NTTNFQPDIIIYHT-LLVKDONJSA-N -1 3 315.333 0.801 10 0 DCAEHM COc1nc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n[n-]1 ZINC000179371827 199023221 /nfs/dbraw/zinc/02/32/21/199023221.db2.gz NTTNFQPDIIIYHT-LLVKDONJSA-N -1 3 315.333 0.801 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000179371827 199023224 /nfs/dbraw/zinc/02/32/24/199023224.db2.gz NTTNFQPDIIIYHT-LLVKDONJSA-N -1 3 315.333 0.801 10 0 DCAEHM O=C1CN(Cc2nc(COc3cccc(F)c3)no2)C(=O)[N-]1 ZINC000188160974 237368844 /nfs/dbraw/zinc/36/88/44/237368844.db2.gz NBZJQQYXCWTFOY-UHFFFAOYSA-N -1 3 306.253 0.840 10 0 DCAEHM O=C(c1cccc2c1OCO2)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000364178655 296256942 /nfs/dbraw/zinc/25/69/42/296256942.db2.gz GJZAJBYODBNGBQ-OAHLLOKOSA-N -1 3 317.301 0.230 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCC1(c2ccccc2)CCC1 ZINC000042849086 183314075 /nfs/dbraw/zinc/31/40/75/183314075.db2.gz UCOKBLBQKUCLFJ-LBPRGKRZSA-N -1 3 301.346 0.823 10 0 DCAEHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc2nncn2c1 ZINC000109876049 194295178 /nfs/dbraw/zinc/29/51/78/194295178.db2.gz PGJWZNFQUVJZNI-UHFFFAOYSA-N -1 3 320.316 0.839 10 0 DCAEHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc2nncn2c1 ZINC000109876049 194295180 /nfs/dbraw/zinc/29/51/80/194295180.db2.gz PGJWZNFQUVJZNI-UHFFFAOYSA-N -1 3 320.316 0.839 10 0 DCAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F ZINC000349978798 254307135 /nfs/dbraw/zinc/30/71/35/254307135.db2.gz UTCSFLCTEVWREI-LURJTMIESA-N -1 3 321.708 0.665 10 0 DCAEHM CCOCCCn1cc(I)c(=O)[n-]c1=O ZINC000094206934 395739931 /nfs/dbraw/zinc/73/99/31/395739931.db2.gz HEMMGDKSYWAALL-UHFFFAOYSA-N -1 3 324.118 0.568 10 0 DCAEHM CC(C)(C)NC(=O)CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195174657 395819562 /nfs/dbraw/zinc/81/95/62/395819562.db2.gz IIQZEMPQBJQJLP-UHFFFAOYSA-N -1 3 302.400 0.791 10 0 DCAEHM CC(C)(C)NC(=O)CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195174657 395819564 /nfs/dbraw/zinc/81/95/64/395819564.db2.gz IIQZEMPQBJQJLP-UHFFFAOYSA-N -1 3 302.400 0.791 10 0 DCAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@@H](C)S(=O)(=O)CC2)on1 ZINC000248851133 395998336 /nfs/dbraw/zinc/99/83/36/395998336.db2.gz TWYXUEWRSVLBKU-GHMZBOCLSA-N -1 3 315.395 0.819 10 0 DCAEHM Cn1cc(C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(=O)[n-]c1=O ZINC000273607585 395932767 /nfs/dbraw/zinc/93/27/67/395932767.db2.gz OMJFVXKSDPFAGL-QWRGUYRKSA-N -1 3 309.366 0.355 10 0 DCAEHM CCN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000152356526 396007535 /nfs/dbraw/zinc/00/75/35/396007535.db2.gz BIMUJADLXIIMJN-UHFFFAOYSA-N -1 3 300.366 0.967 10 0 DCAEHM CCN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000152356526 396007536 /nfs/dbraw/zinc/00/75/36/396007536.db2.gz BIMUJADLXIIMJN-UHFFFAOYSA-N -1 3 300.366 0.967 10 0 DCAEHM C[C@@H](O)CN1CCN(C(=O)c2cccc3[n-]nnc32)C[C@@H]1C ZINC000182785410 396254377 /nfs/dbraw/zinc/25/43/77/396254377.db2.gz QITQNSYTGWFPHH-WDEREUQCSA-N -1 3 303.366 0.485 10 0 DCAEHM C[C@@H](O)CN1CCN(C(=O)c2cccc3nn[n-]c32)C[C@@H]1C ZINC000182785410 396254380 /nfs/dbraw/zinc/25/43/80/396254380.db2.gz QITQNSYTGWFPHH-WDEREUQCSA-N -1 3 303.366 0.485 10 0 DCAEHM COCCNC(=O)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184925310 396311014 /nfs/dbraw/zinc/31/10/14/396311014.db2.gz KSJBWGOTPBMOLQ-UHFFFAOYSA-N -1 3 306.362 0.763 10 0 DCAEHM NC(=O)[C@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCO1 ZINC000185698794 396333348 /nfs/dbraw/zinc/33/33/48/396333348.db2.gz LDJRNXZJZYASBH-CYBMUJFWSA-N -1 3 304.346 0.597 10 0 DCAEHM O=S(=O)([N-][C@H]1CCOC[C@@H]1O)c1cc(F)ccc1Cl ZINC000625595889 396941290 /nfs/dbraw/zinc/94/12/90/396941290.db2.gz ZCLCPIHJYRILSQ-UWVGGRQHSA-N -1 3 309.746 0.907 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)NC1(CC(=O)[O-])CCC1 ZINC000630574117 397050068 /nfs/dbraw/zinc/05/00/68/397050068.db2.gz OHMNZTAQWVKKNQ-AWEZNQCLSA-N -1 3 319.405 0.959 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)nc1C ZINC000396675105 397310479 /nfs/dbraw/zinc/31/04/79/397310479.db2.gz BNQWYPQZNHJOAJ-JTQLQIEISA-N -1 3 300.384 0.158 10 0 DCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@H](CO)c2ccccc2)nc1=N ZINC000614427394 397436140 /nfs/dbraw/zinc/43/61/40/397436140.db2.gz RAAKYJIPIYDBBT-CHWSQXEVSA-N -1 3 315.377 0.667 10 0 DCAEHM CNC(=O)[C@]1(COC)CCCN1C(=O)Cc1cncc([O-])c1 ZINC000606444931 397681843 /nfs/dbraw/zinc/68/18/43/397681843.db2.gz HKGDZRPSLUSWJZ-OAHLLOKOSA-N -1 3 307.350 0.083 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000123817477 158234269 /nfs/dbraw/zinc/23/42/69/158234269.db2.gz PAQJOXIWJUVMGG-TZMCWYRMSA-N -1 3 318.373 0.980 10 0 DCAEHM CS(=O)(=O)C1(C[N-]S(=O)(=O)[C@@H]2CCCOC2)CCC1 ZINC000330071759 159139565 /nfs/dbraw/zinc/13/95/65/159139565.db2.gz JEQXHAQWSKJUSZ-SNVBAGLBSA-N -1 3 311.425 0.052 10 0 DCAEHM C[C@@H]1CN(C)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000408113354 160039097 /nfs/dbraw/zinc/03/90/97/160039097.db2.gz RTZOGDDLXZPKLC-LLVKDONJSA-N -1 3 311.407 0.834 10 0 DCAEHM Cc1noc([C@H](C)[N-]S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000408160705 160049817 /nfs/dbraw/zinc/04/98/17/160049817.db2.gz JTWOELPRVBQRHJ-YIZRAAEISA-N -1 3 304.372 0.383 10 0 DCAEHM Cc1cc([N-]C(=O)[C@H](C)N2CCS(=O)(=O)[C@@H](C)C2)on1 ZINC000247079289 287091024 /nfs/dbraw/zinc/09/10/24/287091024.db2.gz NCRQRHGHCWMKAI-UWVGGRQHSA-N -1 3 301.368 0.429 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC[C@H](C)O ZINC000086013879 415504599 /nfs/dbraw/zinc/50/45/99/415504599.db2.gz YWVFYZOEOJGCSQ-ZETCQYMHSA-N -1 3 305.352 0.732 10 0 DCAEHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000120659919 415778335 /nfs/dbraw/zinc/77/83/35/415778335.db2.gz CTFRUUYRLJKDLV-GGZOMVNGSA-N -1 3 302.334 0.967 10 0 DCAEHM COc1cccc(F)c1[C@@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000173304179 416056862 /nfs/dbraw/zinc/05/68/62/416056862.db2.gz YJQDJHLEXJKGHI-ZCFIWIBFSA-N -1 3 322.296 0.284 10 0 DCAEHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)s1 ZINC000179935457 416194163 /nfs/dbraw/zinc/19/41/63/416194163.db2.gz BBGSAGZBKLYLEV-GFCCVEGCSA-N -1 3 320.436 0.827 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N1C[C@H]3CCC[C@@H](C1)C3O)c2[O-] ZINC000182035546 416214405 /nfs/dbraw/zinc/21/44/05/416214405.db2.gz UKLVMEZEKULVPY-HWYHXSKPSA-N -1 3 316.361 0.907 10 0 DCAEHM Cc1cc(N2CCN(CCC[N-]C(=O)C(F)(F)F)CC2)n[nH]1 ZINC000187160006 416259778 /nfs/dbraw/zinc/25/97/78/416259778.db2.gz HXJSKUZWKVPQNG-UHFFFAOYSA-N -1 3 319.331 0.909 10 0 DCAEHM CC(=O)N1CSC[C@H]1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331101115 416265604 /nfs/dbraw/zinc/26/56/04/416265604.db2.gz BRSDBADIEIRBMD-LURJTMIESA-N -1 3 323.300 0.361 10 0 DCAEHM CC(=O)N1CSC[C@H]1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331101115 416265609 /nfs/dbraw/zinc/26/56/09/416265609.db2.gz BRSDBADIEIRBMD-LURJTMIESA-N -1 3 323.300 0.361 10 0 DCAEHM CC(=O)N1CSC[C@H]1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331101115 416265612 /nfs/dbraw/zinc/26/56/12/416265612.db2.gz BRSDBADIEIRBMD-LURJTMIESA-N -1 3 323.300 0.361 10 0 DCAEHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccnc(C)n1 ZINC000359174304 416309206 /nfs/dbraw/zinc/30/92/06/416309206.db2.gz WKMGRRLDPBNJHJ-UHFFFAOYSA-N -1 3 311.367 0.856 10 0 DCAEHM COC(=O)C(C)(C)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000436864634 416571886 /nfs/dbraw/zinc/57/18/86/416571886.db2.gz OPZMJYAMGGEZGS-UHFFFAOYSA-N -1 3 322.361 0.807 10 0 DCAEHM O=C(c1cccc2nccnc21)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000543587995 416642866 /nfs/dbraw/zinc/64/28/66/416642866.db2.gz OBDBSIBGCBQJJD-LLVKDONJSA-N -1 3 311.301 0.006 10 0 DCAEHM CCc1cnc(C[N-]S(=O)(=O)C[C@H]2CNCCO2)s1 ZINC000388257720 417096706 /nfs/dbraw/zinc/09/67/06/417096706.db2.gz KBYUEPCVHIHYTR-SECBINFHSA-N -1 3 305.425 0.113 10 0 DCAEHM CCOC(=O)[C@H]1CN(Cc2nc(CC)cc(=O)[n-]2)CC12COC2 ZINC000451141680 417307230 /nfs/dbraw/zinc/30/72/30/417307230.db2.gz VRVWIBOREWBXRC-GFCCVEGCSA-N -1 3 321.377 0.756 10 0 DCAEHM CC(C)(C)CCS(=O)(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000658408131 417960731 /nfs/dbraw/zinc/96/07/31/417960731.db2.gz AMKXACXLJYJRPS-UHFFFAOYSA-N -1 3 302.400 0.497 10 0 DCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000179248317 261111877 /nfs/dbraw/zinc/11/18/77/261111877.db2.gz XXCYTQZHAKXOHT-QWRGUYRKSA-N -1 3 314.411 0.786 10 0 DCAEHM Cc1nc(C)c(CCC(=O)N2[C@@H](C)CN(C)C[C@@H]2C)c(=O)[n-]1 ZINC000155664201 526708464 /nfs/dbraw/zinc/70/84/64/526708464.db2.gz HUDUUXMRHFJCHF-QWRGUYRKSA-N -1 3 306.410 0.870 10 0 DCAEHM O=C(NCc1ccccc1Cl)C1CC2(C1)NC(=O)[N-]C2=O ZINC000154586795 526745190 /nfs/dbraw/zinc/74/51/90/526745190.db2.gz SEBXHYZYFDNWKC-UHFFFAOYSA-N -1 3 307.737 0.944 10 0 DCAEHM NC(=O)[C@@H]1Cc2ccccc2N1CCC[N-]C(=O)C(F)(F)F ZINC000154888541 526985138 /nfs/dbraw/zinc/98/51/38/526985138.db2.gz ZQRGBWQBBDWJHK-NSHDSACASA-N -1 3 315.295 0.972 10 0 DCAEHM C[C@H]1CN(C)c2ccccc2CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000083003943 545696010 /nfs/dbraw/zinc/69/60/10/545696010.db2.gz OHMZSQFNZOHDQW-NSHDSACASA-N -1 3 316.361 0.405 10 0 DCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NCCc1cc(F)ccc1F ZINC000177116590 545890848 /nfs/dbraw/zinc/89/08/48/545890848.db2.gz QVRROAVMOMSDHM-LLVKDONJSA-N -1 3 311.288 0.612 10 0 DCAEHM Cc1nnc([N-]C(=O)c2cc(N3CCOCC3)ncn2)s1 ZINC000238878319 545959954 /nfs/dbraw/zinc/95/99/54/545959954.db2.gz OPTQWHMCCMCDAW-UHFFFAOYSA-N -1 3 306.351 0.725 10 0 DCAEHM COC(=O)Nc1nc2ccc(S(=O)(=O)C[C@H](C)O)cc2[n-]1 ZINC000005115849 560200719 /nfs/dbraw/zinc/20/07/19/560200719.db2.gz HXRHOFREEVMBGY-ZETCQYMHSA-N -1 3 313.335 0.318 10 0 in-vitro DCAEHM COC(=O)Nc1nc2cc(S(=O)(=O)C[C@H](C)O)ccc2[n-]1 ZINC000005115849 560200721 /nfs/dbraw/zinc/20/07/21/560200721.db2.gz HXRHOFREEVMBGY-ZETCQYMHSA-N -1 3 313.335 0.318 10 0 in-vitro DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCn1ccnn1 ZINC000183167917 665993801 /nfs/dbraw/zinc/99/38/01/665993801.db2.gz XTXUDMRSBZFZTB-UHFFFAOYSA-N -1 3 318.790 0.342 10 0 DCAEHM C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)[N-]OCc1ccccc1 ZINC000119391485 667123891 /nfs/dbraw/zinc/12/38/91/667123891.db2.gz QNKUGRZDFWHRSX-GXTWGEPZSA-N -1 3 305.378 0.820 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(CCO)CC1 ZINC000188945339 670068517 /nfs/dbraw/zinc/06/85/17/670068517.db2.gz KONXGWCMUNOFQZ-UHFFFAOYSA-N -1 3 307.803 0.823 10 0 DCAEHM COC(=O)[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000111597314 671265595 /nfs/dbraw/zinc/26/55/95/671265595.db2.gz OXKRVCVZTXEPJF-SNVBAGLBSA-N -1 3 315.329 0.948 10 0 DCAEHM Cn1cc(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)nn1 ZINC000389943417 685258038 /nfs/dbraw/zinc/25/80/38/685258038.db2.gz PLSIBBMYOOZXQP-UHFFFAOYSA-N -1 3 305.722 0.481 10 0 DCAEHM Cc1cc(C)cc(C[C@H](C)NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000172853594 198158026 /nfs/dbraw/zinc/15/80/26/198158026.db2.gz GDJURXYQXRKJQC-LBPRGKRZSA-N -1 3 303.362 0.902 10 0 DCAEHM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC2CC2)c(F)c1 ZINC000042278674 183250219 /nfs/dbraw/zinc/25/02/19/183250219.db2.gz LASLKALAOFTCDC-UHFFFAOYSA-N -1 3 308.356 0.161 10 0 DCAEHM COCCS(=O)(=O)[N-][C@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000104741500 194033999 /nfs/dbraw/zinc/03/39/99/194033999.db2.gz WBWFYLCJPZJIIV-LBPRGKRZSA-N -1 3 310.379 0.768 10 0 DCAEHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2CNC(=O)C2)ccc1F ZINC000110358972 194325269 /nfs/dbraw/zinc/32/52/69/194325269.db2.gz QTKBDLCMYICDEF-SSDOTTSWSA-N -1 3 315.326 0.272 10 0 DCAEHM Cc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c([O-])c1 ZINC000010123563 395685885 /nfs/dbraw/zinc/68/58/85/395685885.db2.gz JWXCZRQGZYKINM-UHFFFAOYSA-N -1 3 313.317 0.783 10 0 DCAEHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000248542913 395989479 /nfs/dbraw/zinc/98/94/79/395989479.db2.gz CTFRUUYRLJKDLV-ZHAHWJHGSA-N -1 3 302.334 0.967 10 0 DCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3COCCN3)cc2)n1 ZINC000153411662 396023836 /nfs/dbraw/zinc/02/38/36/396023836.db2.gz JNWFCVJVOBTMSI-ZDUSSCGKSA-N -1 3 314.345 0.672 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153867068 396026603 /nfs/dbraw/zinc/02/66/03/396026603.db2.gz HWRCTBBYIOXJBS-RYUDHWBXSA-N -1 3 305.309 0.917 10 0 DCAEHM COC[C@@](C)(O)CNC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000531119355 396589553 /nfs/dbraw/zinc/58/95/53/396589553.db2.gz FIIITARPUMGVFR-INIZCTEOSA-N -1 3 320.345 0.664 10 0 DCAEHM COC[C@](C)(O)CNC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000531119356 396589623 /nfs/dbraw/zinc/58/96/23/396589623.db2.gz FIIITARPUMGVFR-MRXNPFEDSA-N -1 3 320.345 0.664 10 0 DCAEHM O=S(=O)([N-]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1c[nH]cn1 ZINC000374734365 396683382 /nfs/dbraw/zinc/68/33/82/396683382.db2.gz IOCUVQSEDQOUAX-PWSUYJOCSA-N -1 3 315.395 0.256 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCOC[C@@H]1O)c1ccc(F)cc1Cl ZINC000625598947 396944016 /nfs/dbraw/zinc/94/40/16/396944016.db2.gz VIHGYWCUWSMZDD-ZJUUUORDSA-N -1 3 309.746 0.907 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000630572111 397049707 /nfs/dbraw/zinc/04/97/07/397049707.db2.gz ZXJUGNFSKBHGRA-HUUCEWRRSA-N -1 3 319.405 0.911 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(O)CC1 ZINC000119850805 158191136 /nfs/dbraw/zinc/19/11/36/158191136.db2.gz NEQVEGXWNOIJLW-CQSZACIVSA-N -1 3 318.373 0.980 10 0 DCAEHM O=S(=O)([N-]C[C@H]1CN(C2CC2)CCO1)c1ccccc1F ZINC000123614922 158232075 /nfs/dbraw/zinc/23/20/75/158232075.db2.gz FVTWYVKRRUGBGX-LBPRGKRZSA-N -1 3 314.382 0.967 10 0 DCAEHM O=C(C[C@@H]1CCCCC(=O)N1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000328644466 159016711 /nfs/dbraw/zinc/01/67/11/159016711.db2.gz GPXMSZQEDOOHLG-UWVGGRQHSA-N -1 3 308.338 0.879 10 0 DCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCOc2cccc(F)c2C1 ZINC000367313444 159330287 /nfs/dbraw/zinc/33/02/87/159330287.db2.gz XAIUCRDVUAWKMC-NSHDSACASA-N -1 3 321.308 0.535 10 0 DCAEHM NS(=O)(=O)[C@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000408410246 160102690 /nfs/dbraw/zinc/10/26/90/160102690.db2.gz MIFUJBFNJBUSKQ-LBPRGKRZSA-N -1 3 324.402 0.774 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1[O-] ZINC000408471480 160115340 /nfs/dbraw/zinc/11/53/40/160115340.db2.gz YSJRUSBQDJJRFR-CHWSQXEVSA-N -1 3 302.330 0.945 10 0 DCAEHM CC[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CCN1CCOC ZINC000108867454 287200398 /nfs/dbraw/zinc/20/03/98/287200398.db2.gz RIWXXDUGBQBNAW-CQSZACIVSA-N -1 3 319.409 0.565 10 0 DCAEHM C[C@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)CCS1(=O)=O ZINC000278898895 415509972 /nfs/dbraw/zinc/50/99/72/415509972.db2.gz YFWZVUTZONYQFD-ZETCQYMHSA-N -1 3 312.326 0.356 10 0 DCAEHM C[C@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)CCS1(=O)=O ZINC000278898895 415509977 /nfs/dbraw/zinc/50/99/77/415509977.db2.gz YFWZVUTZONYQFD-ZETCQYMHSA-N -1 3 312.326 0.356 10 0 DCAEHM C[C@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)CCS1(=O)=O ZINC000278898895 415509983 /nfs/dbraw/zinc/50/99/83/415509983.db2.gz YFWZVUTZONYQFD-ZETCQYMHSA-N -1 3 312.326 0.356 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N[C@@H]1CCc3n[nH]cc3C1)c2[O-] ZINC000119252383 415741878 /nfs/dbraw/zinc/74/18/78/415741878.db2.gz LDGONTZEYHPRCZ-SECBINFHSA-N -1 3 312.333 0.684 10 0 DCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)[C@H](C)CO ZINC000158821600 416003333 /nfs/dbraw/zinc/00/33/33/416003333.db2.gz AFEFFVAKKBAMLO-SFYZADRCSA-N -1 3 307.393 0.830 10 0 DCAEHM O=C(CN1CC[C@H](N2CCOCC2)C1)[N-]OCc1ccccc1 ZINC000180514568 416198044 /nfs/dbraw/zinc/19/80/44/416198044.db2.gz VRZDWKUJYZGURD-INIZCTEOSA-N -1 3 319.405 0.641 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)C[S@@](C)=O ZINC000183206097 416238602 /nfs/dbraw/zinc/23/86/02/416238602.db2.gz ZMKAFJDPJXGRKZ-ZWBDZOEQSA-N -1 3 313.832 0.427 10 0 DCAEHM Cc1cccc2c(=O)c(C(=O)N(C)Cc3nnnn3C)c[n-]c12 ZINC000361501001 416441493 /nfs/dbraw/zinc/44/14/93/416441493.db2.gz LLTQZPNUGRHMSN-UHFFFAOYSA-N -1 3 312.333 0.632 10 0 DCAEHM C/C=C/C[C@H]([N-]S(=O)(=O)C1(COC)CC1)C(=O)OCC ZINC000451395756 417341103 /nfs/dbraw/zinc/34/11/03/417341103.db2.gz XBCPLUJHUMQQAA-MALLOTDXSA-N -1 3 305.396 0.983 10 0 DCAEHM O=C([O-])[C@@H](C1CC1)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000635015997 417555299 /nfs/dbraw/zinc/55/52/99/417555299.db2.gz JVWPUUSFKSEPHW-MRXNPFEDSA-N -1 3 323.437 0.916 10 0 DCAEHM C[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C[C@H]1O ZINC000221839966 261152384 /nfs/dbraw/zinc/15/23/84/261152384.db2.gz GFDQEOIMTVJJLC-ZWNOBZJWSA-N -1 3 312.391 0.901 10 0 DCAEHM C[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1N1CCOCC1 ZINC000371923135 288208976 /nfs/dbraw/zinc/20/89/76/288208976.db2.gz CGVJJUDUZYUURO-TZMCWYRMSA-N -1 3 317.393 0.175 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NC1(Cc2cccc(F)c2)CCC1 ZINC000187544493 332974634 /nfs/dbraw/zinc/97/46/34/332974634.db2.gz WVIYICBRAWBUQR-UHFFFAOYSA-N -1 3 319.336 0.959 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(N)=O)C2)cn1C ZINC000172610963 341801791 /nfs/dbraw/zinc/80/17/91/341801791.db2.gz TXLFMOSMSYCMAH-UWVGGRQHSA-N -1 3 300.384 0.051 10 0 DCAEHM CCCCc1cc(NC(=O)C2CC3(C2)NC(=O)[N-]C3=O)n[nH]1 ZINC000156291394 521259735 /nfs/dbraw/zinc/25/97/35/521259735.db2.gz HQVCBHGFPIFXCG-UHFFFAOYSA-N -1 3 305.338 0.679 10 0 DCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(CCO)CC2)cc1 ZINC000157590158 525216766 /nfs/dbraw/zinc/21/67/66/525216766.db2.gz JUDICXJQASFRFJ-UHFFFAOYSA-N -1 3 312.391 0.951 10 0 DCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]C[C@]1(O)CCc2ccccc21 ZINC000190319527 525593291 /nfs/dbraw/zinc/59/32/91/525593291.db2.gz MFXSTUTXJXNSEA-NILFDRSVSA-N -1 3 311.403 0.917 10 0 DCAEHM Cc1c(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3)nc[n-]c1=O ZINC000222949837 664396653 /nfs/dbraw/zinc/39/66/53/664396653.db2.gz CQKJSPGRJUQTCH-UHFFFAOYSA-N -1 3 312.329 0.845 10 0 DCAEHM CN(C)c1nc([C@@H]2CCN(C(=O)Cn3cccn3)C2)cc(=O)[n-]1 ZINC000864842534 667289290 /nfs/dbraw/zinc/28/92/90/667289290.db2.gz YDIYMDSTPWAACQ-LLVKDONJSA-N -1 3 316.365 0.461 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)c1cn(C)nn1 ZINC000720548565 685314518 /nfs/dbraw/zinc/31/45/18/685314518.db2.gz RYUXYXZKEATGPD-LURJTMIESA-N -1 3 304.763 0.242 10 0 DCAEHM CS(=O)(=O)N1CC[C@@H](CN2CCSC[C@@H]2CC(=O)[O-])C1 ZINC000690831712 976338041 /nfs/dbraw/zinc/33/80/41/976338041.db2.gz PZPUCUYBFXKHOG-QWRGUYRKSA-N -1 3 322.452 0.160 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@@H]2CCCO2)c(C)o1 ZINC000081730647 192317276 /nfs/dbraw/zinc/31/72/76/192317276.db2.gz DRMAZCPOSQKYBV-JTQLQIEISA-N -1 3 316.379 0.747 10 0 DCAEHM Cc1ccc2c(c1)[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@H](C)C2 ZINC000181113138 199253987 /nfs/dbraw/zinc/25/39/87/199253987.db2.gz JBVDCVXVMFLEOA-BMIGLBTASA-N -1 3 301.346 0.896 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCCn2ncnc21)c1cccc2nonc21 ZINC000268783798 238251289 /nfs/dbraw/zinc/25/12/89/238251289.db2.gz JHXWZYAVMSAADJ-SECBINFHSA-N -1 3 320.334 0.628 10 0 DCAEHM C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182549281 296176306 /nfs/dbraw/zinc/17/63/06/296176306.db2.gz CICFPBCWWREVFT-DGCLKSJQSA-N -1 3 306.362 0.836 10 0 DCAEHM COc1cc(C[C@](C)(NN)C(N)=O)cc(Br)c1[O-] ZINC000504610513 257143742 /nfs/dbraw/zinc/14/37/42/257143742.db2.gz NJEKBQBAICRIGO-NSHDSACASA-N -1 3 318.171 0.413 10 0 DCAEHM CNC(=O)[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCO1 ZINC000272975244 130078810 /nfs/dbraw/zinc/07/88/10/130078810.db2.gz CSJOSCVVJULNRG-HNNXBMFYSA-N -1 3 318.373 0.858 10 0 DCAEHM CCCN(CCC)S(=O)(=O)[N-]c1cnn(CC(=O)OC)c1 ZINC000038030608 395730848 /nfs/dbraw/zinc/73/08/48/395730848.db2.gz PKPXBTPEIDHACW-UHFFFAOYSA-N -1 3 318.399 0.835 10 0 DCAEHM O=C(NCCCN1CCOCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000048533998 395816415 /nfs/dbraw/zinc/81/64/15/395816415.db2.gz IUPZTNJSTFDRAR-UHFFFAOYSA-N -1 3 315.373 0.980 10 0 DCAEHM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195327193 395824333 /nfs/dbraw/zinc/82/43/33/395824333.db2.gz BLIQYWVJARIAOO-GFCCVEGCSA-N -1 3 323.418 0.978 10 0 DCAEHM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)[N-]C(C)(C)C(=O)OC ZINC000234563863 395888785 /nfs/dbraw/zinc/88/87/85/395888785.db2.gz XHFOHEMTURXLFN-BDAKNGLRSA-N -1 3 307.368 0.199 10 0 DCAEHM CN(C)C[C@@H](NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000052555289 395865722 /nfs/dbraw/zinc/86/57/22/395865722.db2.gz CIKAFPVUSHVLCT-QWHCGFSZSA-N -1 3 318.377 0.394 10 0 DCAEHM C[C@@H](O)CN1CCN(C(=O)c2cccc3[n-]nnc32)C[C@H]1C ZINC000182785390 396254488 /nfs/dbraw/zinc/25/44/88/396254488.db2.gz QITQNSYTGWFPHH-GHMZBOCLSA-N -1 3 303.366 0.485 10 0 DCAEHM C[C@@H](O)CN1CCN(C(=O)c2cccc3nn[n-]c32)C[C@H]1C ZINC000182785390 396254491 /nfs/dbraw/zinc/25/44/91/396254491.db2.gz QITQNSYTGWFPHH-GHMZBOCLSA-N -1 3 303.366 0.485 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000179131200 396221839 /nfs/dbraw/zinc/22/18/39/396221839.db2.gz XUBQCHVRQGNXJC-ZDUSSCGKSA-N -1 3 312.329 0.651 10 0 DCAEHM CNC(=O)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000185090204 396316652 /nfs/dbraw/zinc/31/66/52/396316652.db2.gz BNJGMJPTYZWOOJ-UHFFFAOYSA-N -1 3 301.140 0.907 10 0 DCAEHM C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000282414438 396288700 /nfs/dbraw/zinc/28/87/00/396288700.db2.gz FGMFPLYYCSUIBO-GMSGAONNSA-N -1 3 304.318 0.910 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000630572110 397050813 /nfs/dbraw/zinc/05/08/13/397050813.db2.gz ZXJUGNFSKBHGRA-GJZGRUSLSA-N -1 3 319.405 0.911 10 0 DCAEHM CCOC(=O)CN(CCOC)S(=O)(=O)c1ccc([O-])cc1 ZINC000049607836 158010483 /nfs/dbraw/zinc/01/04/83/158010483.db2.gz HEHPYLARAKQNND-UHFFFAOYSA-N -1 3 317.363 0.592 10 0 DCAEHM COc1cccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c1[O-] ZINC000127224922 158271446 /nfs/dbraw/zinc/27/14/46/158271446.db2.gz VYCTUEJDQTXDOL-GFCCVEGCSA-N -1 3 306.362 0.994 10 0 DCAEHM CC[C@H]1CN(C(=O)c2cncc([O-])c2)C[C@@H]1N1CCOCC1 ZINC000408004151 160008802 /nfs/dbraw/zinc/00/88/02/160008802.db2.gz KOSNLSLUIBWYMW-WFASDCNBSA-N -1 3 305.378 0.970 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000408097127 160035044 /nfs/dbraw/zinc/03/50/44/160035044.db2.gz IXALWXMBESZEIY-SNVBAGLBSA-N -1 3 322.408 0.290 10 0 DCAEHM COC(=O)C1([N-]S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000408106648 160037418 /nfs/dbraw/zinc/03/74/18/160037418.db2.gz YUOPRKHHOGTUQE-GHMZBOCLSA-N -1 3 320.411 0.416 10 0 DCAEHM CN(C)c1nc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc(=O)[n-]1 ZINC000408242359 160067550 /nfs/dbraw/zinc/06/75/50/160067550.db2.gz STEJNBDGSKMJNJ-AXTRIDKLSA-N -1 3 306.366 0.792 10 0 DCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@@H](O)C1 ZINC000408293485 160078293 /nfs/dbraw/zinc/07/82/93/160078293.db2.gz YLZPWXPDFVENJG-SECBINFHSA-N -1 3 302.334 0.758 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C)C[C@H]2C)c(C)o1 ZINC000408396091 160099656 /nfs/dbraw/zinc/09/96/56/160099656.db2.gz OJNHRCIECUAJRO-SECBINFHSA-N -1 3 315.395 0.272 10 0 DCAEHM Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)n1 ZINC000408449082 160110414 /nfs/dbraw/zinc/11/04/14/160110414.db2.gz DSCROSRZYMOOAB-IAQYHMDHSA-N -1 3 319.365 0.262 10 0 DCAEHM CC(C)[C@@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000025976948 415166298 /nfs/dbraw/zinc/16/62/98/415166298.db2.gz APGVANMZCWLTNG-SSDOTTSWSA-N -1 3 318.171 0.460 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1coc(-c2cccs2)n1 ZINC000042848677 415209609 /nfs/dbraw/zinc/20/96/09/415209609.db2.gz HUSIWGUSLKFRKW-QMMMGPOBSA-N -1 3 320.330 0.617 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2C)o1 ZINC000049095893 415306272 /nfs/dbraw/zinc/30/62/72/415306272.db2.gz QPFCZKDINCKVGG-VIFPVBQESA-N -1 3 301.368 0.012 10 0 DCAEHM C[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1N1CCOCC1 ZINC000177267462 416144115 /nfs/dbraw/zinc/14/41/15/416144115.db2.gz CGVJJUDUZYUURO-JSGCOSHPSA-N -1 3 317.393 0.175 10 0 DCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(C)C ZINC000178923983 416177694 /nfs/dbraw/zinc/17/76/94/416177694.db2.gz XGYVSONXNUWXHK-LBPRGKRZSA-N -1 3 316.427 0.588 10 0 DCAEHM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000182170358 416212985 /nfs/dbraw/zinc/21/29/85/416212985.db2.gz KMYARBRENVYJGP-ADEWGFFLSA-N -1 3 302.334 0.589 10 0 DCAEHM COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)[N-]Cc1ncoc1C ZINC000331100520 416263718 /nfs/dbraw/zinc/26/37/18/416263718.db2.gz OKFGONQXFJUOLP-ONGXEEELSA-N -1 3 302.352 0.744 10 0 DCAEHM COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)[N-]Cc1ncoc1C ZINC000331100517 416263969 /nfs/dbraw/zinc/26/39/69/416263969.db2.gz OKFGONQXFJUOLP-GXSJLCMTSA-N -1 3 302.352 0.744 10 0 DCAEHM CC(=O)[C@](C)(O)CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000331239701 416293633 /nfs/dbraw/zinc/29/36/33/416293633.db2.gz OADHOSQRVCCPFW-MRXNPFEDSA-N -1 3 306.362 0.490 10 0 DCAEHM Cc1cnn([C@@H]2CCCN(C(=O)C(=O)[N-]c3cnns3)C2)c1 ZINC000192044111 416298728 /nfs/dbraw/zinc/29/87/28/416298728.db2.gz PCESHXQNRCWLTJ-SNVBAGLBSA-N -1 3 320.378 0.845 10 0 DCAEHM Cc1cc(C)n(CC(=O)NCc2nnc(C(F)(F)F)[n-]2)n1 ZINC000360820334 416412086 /nfs/dbraw/zinc/41/20/86/416412086.db2.gz JFWCDVRLBZIKFI-UHFFFAOYSA-N -1 3 302.260 0.953 10 0 DCAEHM Cc1cc(C)n(CC(=O)NCc2n[n-]c(C(F)(F)F)n2)n1 ZINC000360820334 416412088 /nfs/dbraw/zinc/41/20/88/416412088.db2.gz JFWCDVRLBZIKFI-UHFFFAOYSA-N -1 3 302.260 0.953 10 0 DCAEHM Cc1cc(C)n(CC(=O)NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC000360820334 416412090 /nfs/dbraw/zinc/41/20/90/416412090.db2.gz JFWCDVRLBZIKFI-UHFFFAOYSA-N -1 3 302.260 0.953 10 0 DCAEHM CCOc1ncccc1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366083115 416617206 /nfs/dbraw/zinc/61/72/06/416617206.db2.gz JETRVCMEEBQBGL-HNNXBMFYSA-N -1 3 318.333 0.295 10 0 DCAEHM Cc1csc([C@H](C)NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)n1 ZINC000546141899 288016341 /nfs/dbraw/zinc/01/63/41/288016341.db2.gz DJWYRTBMUBPEMX-IUCAKERBSA-N -1 3 323.378 0.458 10 0 DCAEHM Cc1ccc2c(c1)[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@@H](C)C2 ZINC000183173743 281112981 /nfs/dbraw/zinc/11/29/81/281112981.db2.gz MFTBITKITUIINR-QPUJVOFHSA-N -1 3 314.345 0.617 10 0 DCAEHM CC(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])S(C)(=O)=O ZINC000262086712 298169546 /nfs/dbraw/zinc/16/95/46/298169546.db2.gz FWHLKPNUIUNNLF-BDAKNGLRSA-N -1 3 309.384 0.194 10 0 DCAEHM NS(=O)(=O)c1cccc(-c2ccccc2O)c1-c1nnn[n-]1 ZINC000584611569 337372188 /nfs/dbraw/zinc/37/21/88/337372188.db2.gz GKXTZZLTSMMLCA-UHFFFAOYSA-N -1 3 317.330 0.887 10 0 DCAEHM Cc1ccc(C[C@@H](C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(C)c1 ZINC000155745995 524658376 /nfs/dbraw/zinc/65/83/76/524658376.db2.gz QSVKTRWJXHAVDC-YPMHNXCESA-N -1 3 303.362 0.949 10 0 DCAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCOCC1 ZINC000157478933 525579729 /nfs/dbraw/zinc/57/97/29/525579729.db2.gz TYCLGGDDHUFPRH-SNVBAGLBSA-N -1 3 316.354 0.351 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(CCC(F)(F)F)CC1CC1 ZINC000156855343 527137580 /nfs/dbraw/zinc/13/75/80/527137580.db2.gz LBKISOASGYIZPU-QMMMGPOBSA-N -1 3 307.272 0.776 10 0 DCAEHM Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(CC(=O)[O-])C2 ZINC000091587465 545717699 /nfs/dbraw/zinc/71/76/99/545717699.db2.gz KVWZOSQWAWYJFK-NWDGAFQWSA-N -1 3 307.350 0.799 10 0 DCAEHM O=C(c1cc2c(cc1[O-])OCO2)N1CCN2CCOC[C@@H]2C1 ZINC000436983505 663604721 /nfs/dbraw/zinc/60/47/21/663604721.db2.gz WWFUOYHGCIKCMF-JTQLQIEISA-N -1 3 306.318 0.278 10 0 DCAEHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909185717 663784459 /nfs/dbraw/zinc/78/44/59/663784459.db2.gz BXXFLJDABFVBPF-UXIGCNINSA-N -1 3 305.309 0.761 10 0 DCAEHM CNC(=O)[C@@H]1CCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000172233259 664618067 /nfs/dbraw/zinc/61/80/67/664618067.db2.gz RRWRSQUXJBNWOU-NSHDSACASA-N -1 3 300.318 0.274 10 0 DCAEHM O=S(=O)([N-]CCCn1ccnn1)c1cnc(Cl)c(F)c1 ZINC000313011655 664737207 /nfs/dbraw/zinc/73/72/07/664737207.db2.gz CAQWZKLWHMZELL-UHFFFAOYSA-N -1 3 319.749 0.834 10 0 DCAEHM C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)[N-]OCc1ccccc1 ZINC000119391154 667123886 /nfs/dbraw/zinc/12/38/86/667123886.db2.gz QNKUGRZDFWHRSX-JSGCOSHPSA-N -1 3 305.378 0.820 10 0 DCAEHM CCOc1nnc(NC(=O)CN(C)C(=O)c2cccs2)[n-]1 ZINC000228779236 1158051771 /nfs/dbraw/zinc/05/17/71/1158051771.db2.gz KWHVTHJLOULOAK-UHFFFAOYSA-N -1 3 309.351 0.976 10 0 DCAEHM CCOc1nc(NC(=O)CN(C)C(=O)c2cccs2)n[n-]1 ZINC000228779236 1158051778 /nfs/dbraw/zinc/05/17/78/1158051778.db2.gz KWHVTHJLOULOAK-UHFFFAOYSA-N -1 3 309.351 0.976 10 0 DCAEHM CCOc1n[n-]c(NC(=O)CN(C)C(=O)c2cccs2)n1 ZINC000228779236 1158051785 /nfs/dbraw/zinc/05/17/85/1158051785.db2.gz KWHVTHJLOULOAK-UHFFFAOYSA-N -1 3 309.351 0.976 10 0 DCAEHM CS(=O)(=O)N1CC[C@@H](CN2CCSC[C@H]2CC(=O)[O-])C1 ZINC000690831715 976338228 /nfs/dbraw/zinc/33/82/28/976338228.db2.gz PZPUCUYBFXKHOG-WDEREUQCSA-N -1 3 322.452 0.160 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCC1(Cc2ccccc2)CC1 ZINC000161797062 291242916 /nfs/dbraw/zinc/24/29/16/291242916.db2.gz IUNQRPPRIODHLD-LBPRGKRZSA-N -1 3 301.346 0.724 10 0 DCAEHM CN1CCN(c2ncccc2C(=O)[O-])C[C@]12CCNC(=O)CC2 ZINC000091713136 193095973 /nfs/dbraw/zinc/09/59/73/193095973.db2.gz NOEZTXMVKVPUTE-INIZCTEOSA-N -1 3 318.377 0.571 10 0 DCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000035177068 395719295 /nfs/dbraw/zinc/71/92/95/395719295.db2.gz SAVCDSKUESOWES-AXFHLTTASA-N -1 3 308.400 0.128 10 0 DCAEHM C[C@@H](O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000118719927 395863947 /nfs/dbraw/zinc/86/39/47/395863947.db2.gz LXCFZYGQKDPQRW-BDAKNGLRSA-N -1 3 306.409 0.302 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)CCN2C(=O)CCC2=O)n[n-]1 ZINC000119767888 395875816 /nfs/dbraw/zinc/87/58/16/395875816.db2.gz PNJHABHCNAMBPY-UHFFFAOYSA-N -1 3 316.321 0.288 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)CCN2C(=O)CCC2=O)[n-]n1 ZINC000119767888 395875820 /nfs/dbraw/zinc/87/58/20/395875820.db2.gz PNJHABHCNAMBPY-UHFFFAOYSA-N -1 3 316.321 0.288 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000153987953 396028043 /nfs/dbraw/zinc/02/80/43/396028043.db2.gz DFYJINUSTNBWSZ-CSMHCCOUSA-N -1 3 307.272 0.822 10 0 DCAEHM CC(C)[C@H](CNC(=O)CN1CC(=O)[N-]C1=O)c1cccnc1 ZINC000176343195 396154034 /nfs/dbraw/zinc/15/40/34/396154034.db2.gz QYQAEYXBJDSFCN-LBPRGKRZSA-N -1 3 304.350 0.489 10 0 DCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1(N)CCCC1 ZINC000262655635 396168491 /nfs/dbraw/zinc/16/84/91/396168491.db2.gz CLJDBADBQLGGQB-UHFFFAOYSA-N -1 3 303.366 0.527 10 0 DCAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)CSC(C)(C)C)CCO1 ZINC000262874359 396189209 /nfs/dbraw/zinc/18/92/09/396189209.db2.gz DJKDWPAICYNOLE-NSHDSACASA-N -1 3 318.439 0.762 10 0 DCAEHM Cc1cc(N2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)n[nH]1 ZINC000189703841 396397776 /nfs/dbraw/zinc/39/77/76/396397776.db2.gz PPMIJAJEUOKUOY-UHFFFAOYSA-N -1 3 311.349 0.952 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOCC[C@@H]2C)cn1 ZINC000372191545 396496655 /nfs/dbraw/zinc/49/66/55/396496655.db2.gz JZOCCAUATRUWED-JTQLQIEISA-N -1 3 313.379 0.241 10 0 DCAEHM CC[C@H]1CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000291860252 396516107 /nfs/dbraw/zinc/51/61/07/396516107.db2.gz FDMPNGDZIVNCAN-QMMMGPOBSA-N -1 3 324.362 0.207 10 0 DCAEHM COc1cc(C)ccc1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000563505149 396744857 /nfs/dbraw/zinc/74/48/57/396744857.db2.gz FCPWHSNLKRMNLN-MRXNPFEDSA-N -1 3 317.345 0.818 10 0 DCAEHM CS(=O)(=O)CC1(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1 ZINC000572250421 397038367 /nfs/dbraw/zinc/03/83/67/397038367.db2.gz SUQHNGCPCUWMJX-SDDRHHMPSA-N -1 3 301.408 0.996 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000630571326 397048763 /nfs/dbraw/zinc/04/87/63/397048763.db2.gz MCRLCBLOJVSLSJ-KGLIPLIRSA-N -1 3 305.378 0.521 10 0 DCAEHM CCO[C@H]1C[C@@]([N-]S(=O)(=O)NC(C)C)(C(=O)OC)C1(C)C ZINC000444280437 286506412 /nfs/dbraw/zinc/50/64/12/286506412.db2.gz HUWRCHJTJJUZSE-GXFFZTMASA-N -1 3 322.427 0.566 10 0 DCAEHM Cc1nc(C)c(CCC(=O)Nc2cnc(N(C)C)nc2)c(=O)[n-]1 ZINC000124841883 158248027 /nfs/dbraw/zinc/24/80/27/158248027.db2.gz VHKXUFMLKWHQEQ-UHFFFAOYSA-N -1 3 316.365 0.814 10 0 DCAEHM COc1cnccc1N1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC000263415504 158877753 /nfs/dbraw/zinc/87/77/53/158877753.db2.gz NSHHRZLJCGQTHZ-UHFFFAOYSA-N -1 3 315.333 0.905 10 0 DCAEHM CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)N2CCC[C@@H](C)C2)C1=O ZINC000408341485 160088187 /nfs/dbraw/zinc/08/81/87/160088187.db2.gz RKLXUBXFGNFPON-GHMZBOCLSA-N -1 3 317.411 0.089 10 0 DCAEHM Cc1cnc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c([O-])c1 ZINC000408370993 160093928 /nfs/dbraw/zinc/09/39/28/160093928.db2.gz SHXNFNBCHBWCED-CYBMUJFWSA-N -1 3 305.378 0.890 10 0 DCAEHM CC1(C)Cc2ccc(C(=O)N3C[C@@H](O)C[C@H]3CO)c([O-])c2O1 ZINC000408410309 160102587 /nfs/dbraw/zinc/10/25/87/160102587.db2.gz NPMCVOHWKOMHRW-QWRGUYRKSA-N -1 3 307.346 0.673 10 0 DCAEHM NS(=O)(=O)[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000408410245 160103020 /nfs/dbraw/zinc/10/30/20/160103020.db2.gz MIFUJBFNJBUSKQ-GFCCVEGCSA-N -1 3 324.402 0.774 10 0 DCAEHM C[C@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000177365876 287054445 /nfs/dbraw/zinc/05/44/45/287054445.db2.gz NZZLISCDEUSART-GUYCJALGSA-N -1 3 318.373 0.980 10 0 DCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO ZINC000158821484 416003670 /nfs/dbraw/zinc/00/36/70/416003670.db2.gz AFEFFVAKKBAMLO-YUMQZZPRSA-N -1 3 307.393 0.830 10 0 DCAEHM CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000408453435 287324936 /nfs/dbraw/zinc/32/49/36/287324936.db2.gz RRMUCLDWNTZXMK-PGUXBMHVSA-N -1 3 309.366 0.392 10 0 DCAEHM COc1nc(NC(=O)CC2(N3CCOCC3)CCCC2)n[n-]1 ZINC000182997077 416234743 /nfs/dbraw/zinc/23/47/43/416234743.db2.gz DXIPHILVNPHXAR-UHFFFAOYSA-N -1 3 309.370 0.787 10 0 DCAEHM COc1nnc(NC(=O)CC2(N3CCOCC3)CCCC2)[n-]1 ZINC000182997077 416234748 /nfs/dbraw/zinc/23/47/48/416234748.db2.gz DXIPHILVNPHXAR-UHFFFAOYSA-N -1 3 309.370 0.787 10 0 DCAEHM COc1nnc(NC(=O)C(=O)NCCCc2ccccc2)[n-]1 ZINC000182993972 416235654 /nfs/dbraw/zinc/23/56/54/416235654.db2.gz FIYPTKROCWCDNE-UHFFFAOYSA-N -1 3 303.322 0.501 10 0 DCAEHM COc1nc(NC(=O)C(=O)NCCCc2ccccc2)n[n-]1 ZINC000182993972 416235658 /nfs/dbraw/zinc/23/56/58/416235658.db2.gz FIYPTKROCWCDNE-UHFFFAOYSA-N -1 3 303.322 0.501 10 0 DCAEHM COc1n[n-]c(NC(=O)C(=O)NCCCc2ccccc2)n1 ZINC000182993972 416235662 /nfs/dbraw/zinc/23/56/62/416235662.db2.gz FIYPTKROCWCDNE-UHFFFAOYSA-N -1 3 303.322 0.501 10 0 DCAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F ZINC000331199322 416285855 /nfs/dbraw/zinc/28/58/55/416285855.db2.gz UGSYGNPWRQKTAU-YFKPBYRVSA-N -1 3 321.708 0.665 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](O)C[C@H]2C)c(C)o1 ZINC000633870120 417500296 /nfs/dbraw/zinc/50/02/96/417500296.db2.gz KSYJVEZBOUKERN-PSASIEDQSA-N -1 3 316.379 0.482 10 0 DCAEHM C[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C[C@@H]1O ZINC000221839856 261151912 /nfs/dbraw/zinc/15/19/12/261151912.db2.gz GFDQEOIMTVJJLC-MFKMUULPSA-N -1 3 312.391 0.901 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000487375028 272040870 /nfs/dbraw/zinc/04/08/70/272040870.db2.gz YOTHPPYNZCEXQP-BDAKNGLRSA-N -1 3 318.351 0.014 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000328968876 279793199 /nfs/dbraw/zinc/79/31/99/279793199.db2.gz UGLIDMLYHLQHKD-WKEGUHRASA-N -1 3 309.244 0.545 10 0 DCAEHM CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000364400180 280097053 /nfs/dbraw/zinc/09/70/53/280097053.db2.gz NRPDVKCWYNCOJU-JRPNMDOOSA-N -1 3 309.366 0.248 10 0 DCAEHM CC[C@H](CO)N1CCN(C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000156721291 522206180 /nfs/dbraw/zinc/20/61/80/522206180.db2.gz VOEAZUYDFKZUGH-GFCCVEGCSA-N -1 3 308.378 0.930 10 0 DCAEHM CO[C@@H](C)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000189110601 523415465 /nfs/dbraw/zinc/41/54/65/523415465.db2.gz IHBISBWVWHDRCU-UWVGGRQHSA-N -1 3 318.370 0.644 10 0 DCAEHM Cc1nc(C)c(CCC(=O)NC[C@@H]2CCCC[C@@H]2O)c(=O)[n-]1 ZINC000158261764 526710264 /nfs/dbraw/zinc/71/02/64/526710264.db2.gz RJYDBVAYWREBRR-JSGCOSHPSA-N -1 3 307.394 0.987 10 0 DCAEHM COc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)s1 ZINC000311670063 659348631 /nfs/dbraw/zinc/34/86/31/659348631.db2.gz HEQLRVNARHSDSM-DTWKUNHWSA-N -1 3 306.409 0.981 10 0 DCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CSC(C)C)CC2)n1 ZINC000096599703 663070286 /nfs/dbraw/zinc/07/02/86/663070286.db2.gz HJMNIJKZPIJFNK-UHFFFAOYSA-N -1 3 310.423 0.869 10 0 DCAEHM Cn1ncc(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)n1 ZINC000389869712 685258344 /nfs/dbraw/zinc/25/83/44/685258344.db2.gz ITPILNMCADIRDW-UHFFFAOYSA-N -1 3 305.722 0.481 10 0 DCAEHM CC[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1cccnc1F ZINC000401803802 774066308 /nfs/dbraw/zinc/06/63/08/774066308.db2.gz ARLDCTGZNIQKLP-SECBINFHSA-N -1 3 303.359 0.804 10 0 DCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCC2CCCC2)c1 ZINC000088644343 185261423 /nfs/dbraw/zinc/26/14/23/185261423.db2.gz ZNAJHSMJZCVZCB-UHFFFAOYSA-N -1 3 314.411 0.395 10 0 DCAEHM CC(C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000002513217 545640903 /nfs/dbraw/zinc/64/09/03/545640903.db2.gz DOFAQXCYFQKSHT-UTUOFQBUSA-N -1 3 311.382 0.036 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)[C@@H](C)CO ZINC000179311788 199014203 /nfs/dbraw/zinc/01/42/03/199014203.db2.gz PNVHBHNVVLBQNH-UWVGGRQHSA-N -1 3 318.370 0.332 10 0 DCAEHM C[C@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@@H]1N1CCOCC1 ZINC000179524230 199050889 /nfs/dbraw/zinc/05/08/89/199050889.db2.gz ZCRZKFUXOLEWLN-FZMZJTMJSA-N -1 3 306.362 0.891 10 0 DCAEHM CC(C)C[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)[O-] ZINC000039796954 183022528 /nfs/dbraw/zinc/02/25/28/183022528.db2.gz YOKVEHGYYQEQOP-MNOVXSKESA-N -1 3 301.387 0.092 10 0 DCAEHM CCCC[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000042278584 183249162 /nfs/dbraw/zinc/24/91/62/183249162.db2.gz WQTBRDSHCLPEFO-UHFFFAOYSA-N -1 3 310.372 0.552 10 0 DCAEHM CN1CCN(C(=O)C[C@H]2NC(=O)[N-]C2=O)[C@H](c2ccccc2)C1 ZINC000042848627 183314086 /nfs/dbraw/zinc/31/40/86/183314086.db2.gz JVIKOVARIHRIBV-OLZOCXBDSA-N -1 3 316.361 0.100 10 0 DCAEHM Cc1cc(C)c(CCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(C)c1 ZINC000058526842 184121265 /nfs/dbraw/zinc/12/12/65/184121265.db2.gz ONOFQEVPQMNHBU-ZDUSSCGKSA-N -1 3 303.362 0.869 10 0 DCAEHM CC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)CCC[C@@]2(C(=O)[O-])C1 ZINC000248144332 257108267 /nfs/dbraw/zinc/10/82/67/257108267.db2.gz RHSKVNGUASIHGF-GDBMZVCRSA-N -1 3 320.393 0.565 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2CCN(C)[C@@H](c3nc(C)no3)C2)n1 ZINC000284966843 131127451 /nfs/dbraw/zinc/12/74/51/131127451.db2.gz RQQOALOIMHDIAB-GFCCVEGCSA-N -1 3 318.381 0.925 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCCOc2ccccc21 ZINC000270596280 395787723 /nfs/dbraw/zinc/78/77/23/395787723.db2.gz NGLFNAFRQBCIKJ-QWRGUYRKSA-N -1 3 303.318 0.615 10 0 DCAEHM CCc1ccc([O-])c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116982207 395850425 /nfs/dbraw/zinc/85/04/25/395850425.db2.gz LHOAUAOLGMSRKA-NSHDSACASA-N -1 3 312.391 0.718 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCCCO ZINC000234607871 395889292 /nfs/dbraw/zinc/88/92/92/395889292.db2.gz UBFVRMURKRXRJY-UHFFFAOYSA-N -1 3 305.352 0.734 10 0 DCAEHM Cn1cc(C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c(=O)[n-]c1=O ZINC000273607586 395932995 /nfs/dbraw/zinc/93/29/95/395932995.db2.gz OMJFVXKSDPFAGL-WDEREUQCSA-N -1 3 309.366 0.355 10 0 DCAEHM Cc1cccnc1[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)C(C)C ZINC000134964133 395936595 /nfs/dbraw/zinc/93/65/95/395936595.db2.gz DAEKNALCHSLHNS-ZDUSSCGKSA-N -1 3 304.350 0.755 10 0 DCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]CC(=O)N1CCc2ccccc21 ZINC000135563012 395941528 /nfs/dbraw/zinc/94/15/28/395941528.db2.gz GESUDJVIOIVXIV-FZMZJTMJSA-N -1 3 324.402 0.673 10 0 DCAEHM Cn1nc(C2CCCCC2)cc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000151137722 395979501 /nfs/dbraw/zinc/97/95/01/395979501.db2.gz FZXZAYYAVFBQLS-UHFFFAOYSA-N -1 3 319.365 0.958 10 0 DCAEHM CCc1nc2cc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)ccc2o1 ZINC000154653159 396040059 /nfs/dbraw/zinc/04/00/59/396040059.db2.gz NFBWYLFXXYKLLA-VIFPVBQESA-N -1 3 302.290 0.927 10 0 DCAEHM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CNCC[C@@H]1C ZINC000261618232 396049688 /nfs/dbraw/zinc/04/96/88/396049688.db2.gz BLJQPDDGPAFQAI-YUMQZZPRSA-N -1 3 319.408 0.206 10 0 DCAEHM Cn1ncnc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000162932580 396084681 /nfs/dbraw/zinc/08/46/81/396084681.db2.gz PZECHYMEOXATJI-LLVKDONJSA-N -1 3 315.333 0.764 10 0 DCAEHM Cc1ccc(C(=O)NC[C@](C)(O)CN2CCOCC2)c([O-])c1 ZINC000176902862 292072958 /nfs/dbraw/zinc/07/29/58/292072958.db2.gz XQPBXBYYXOILBE-INIZCTEOSA-N -1 3 308.378 0.514 10 0 DCAEHM C[C@H]1OCCN(C(=O)c2cc3c(cc2[O-])CCCC3)[C@@H]1C(N)=O ZINC000285457490 396350402 /nfs/dbraw/zinc/35/04/02/396350402.db2.gz QOJCISJSRHHDFS-BMIGLBTASA-N -1 3 318.373 0.986 10 0 DCAEHM Cn1c2cc([O-])c(NC(=O)[C@@]3(O)CCSC3)cc2n(C)c1=O ZINC000291983809 396522868 /nfs/dbraw/zinc/52/28/68/396522868.db2.gz JYVOBTCDMYOXHP-CQSZACIVSA-N -1 3 323.374 0.389 10 0 DCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NC1CCCCCC1 ZINC000377295736 397063300 /nfs/dbraw/zinc/06/33/00/397063300.db2.gz BDKFASNTFHGEJT-INIZCTEOSA-N -1 3 322.409 0.499 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)NC1(CC(=O)[O-])CCC1 ZINC000630574118 397050090 /nfs/dbraw/zinc/05/00/90/397050090.db2.gz OHMNZTAQWVKKNQ-CQSZACIVSA-N -1 3 319.405 0.959 10 0 DCAEHM CCOCCC1(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CCC1 ZINC000366149795 286040553 /nfs/dbraw/zinc/04/05/53/286040553.db2.gz MSGZMKCMWQZZFG-INIZCTEOSA-N -1 3 323.393 0.784 10 0 DCAEHM CCN1CCC[C@H](NC(=O)c2coc(S(=O)(=O)[N-]C)c2)C1 ZINC000131780893 158306023 /nfs/dbraw/zinc/30/60/23/158306023.db2.gz NXDCOUXEDHSXRG-NSHDSACASA-N -1 3 315.395 0.402 10 0 DCAEHM O=C(CNC(=O)c1ccccn1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000172522679 158394993 /nfs/dbraw/zinc/39/49/93/158394993.db2.gz FHMSQUGACOWVJX-UHFFFAOYSA-N -1 3 314.227 0.587 10 0 DCAEHM O=C(CNC(=O)c1ccccn1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000172522679 158394994 /nfs/dbraw/zinc/39/49/94/158394994.db2.gz FHMSQUGACOWVJX-UHFFFAOYSA-N -1 3 314.227 0.587 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000329889763 159126793 /nfs/dbraw/zinc/12/67/93/159126793.db2.gz FBDWIONMAYKAMN-NSHDSACASA-N -1 3 304.306 0.453 10 0 DCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@H]2CN(C3CC3)CCO2)on1 ZINC000330132045 159144104 /nfs/dbraw/zinc/14/41/04/159144104.db2.gz LGPVHIPJNWVPPF-ZDUSSCGKSA-N -1 3 315.395 0.266 10 0 DCAEHM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)[N-]Cc1ccno1 ZINC000330201221 159149502 /nfs/dbraw/zinc/14/95/02/159149502.db2.gz XKWZVCTXCIDTQL-GFCCVEGCSA-N -1 3 315.395 0.885 10 0 DCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC[C@H]1c1ccncc1 ZINC000043804002 286885890 /nfs/dbraw/zinc/88/58/90/286885890.db2.gz FFFSFZFNJNJSIT-NEPJUHHUSA-N -1 3 302.334 0.733 10 0 DCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000151292884 287032644 /nfs/dbraw/zinc/03/26/44/287032644.db2.gz SBNBFUWVHMMRBN-UHFFFAOYSA-N -1 3 300.278 0.754 10 0 DCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000151292884 287032646 /nfs/dbraw/zinc/03/26/46/287032646.db2.gz SBNBFUWVHMMRBN-UHFFFAOYSA-N -1 3 300.278 0.754 10 0 DCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000151292884 287032648 /nfs/dbraw/zinc/03/26/48/287032648.db2.gz SBNBFUWVHMMRBN-UHFFFAOYSA-N -1 3 300.278 0.754 10 0 DCAEHM C[C@H](C(=O)NC1(c2nnn[n-]2)CC1)N(C)Cc1ccccc1 ZINC000357043236 416025215 /nfs/dbraw/zinc/02/52/15/416025215.db2.gz HHLRABLTVMSSDO-LLVKDONJSA-N -1 3 300.366 0.826 10 0 DCAEHM C[C@H](C(=O)NC1(c2nn[n-]n2)CC1)N(C)Cc1ccccc1 ZINC000357043236 416025216 /nfs/dbraw/zinc/02/52/16/416025216.db2.gz HHLRABLTVMSSDO-LLVKDONJSA-N -1 3 300.366 0.826 10 0 DCAEHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000174742150 416085775 /nfs/dbraw/zinc/08/57/75/416085775.db2.gz UNJPSZLPXAEJGB-OPRDCNLKSA-N -1 3 308.382 0.836 10 0 DCAEHM Cc1cccc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c1[O-] ZINC000176487841 416128328 /nfs/dbraw/zinc/12/83/28/416128328.db2.gz XPAIBZSBKYIQNR-MRXNPFEDSA-N -1 3 308.378 0.514 10 0 DCAEHM Cc1ccc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c([O-])c1 ZINC000176902880 416135700 /nfs/dbraw/zinc/13/57/00/416135700.db2.gz XQPBXBYYXOILBE-MRXNPFEDSA-N -1 3 308.378 0.514 10 0 DCAEHM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CCCN1CC(C)C ZINC000329839409 416192400 /nfs/dbraw/zinc/19/24/00/416192400.db2.gz MVLWMGXYXOVSKQ-LLVKDONJSA-N -1 3 316.427 0.964 10 0 DCAEHM CCOC(=O)[C@H](CC(C)C)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366134662 416619336 /nfs/dbraw/zinc/61/93/36/416619336.db2.gz ZRQXLDNECALFFY-NHYWBVRUSA-N -1 3 311.382 0.638 10 0 DCAEHM CC(=O)c1cccc(NC(=O)[C@@H]2CCN=C3C2=NNN3C)c1[O-] ZINC000614861294 416718929 /nfs/dbraw/zinc/71/89/29/416718929.db2.gz LRFWJPQSEDYJHO-SNVBAGLBSA-N -1 3 315.333 0.758 10 0 DCAEHM CCNS(=O)(=O)[N-][C@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444274683 416827520 /nfs/dbraw/zinc/82/75/20/416827520.db2.gz DGBWDLLDQMZQSQ-CABZTGNLSA-N -1 3 308.400 0.177 10 0 DCAEHM O=C1[C@H]([N-]S(=O)(=O)c2ccco2)CCN1C1CCOCC1 ZINC000445731128 416900246 /nfs/dbraw/zinc/90/02/46/416900246.db2.gz GUUPYFYSEILQEV-LLVKDONJSA-N -1 3 314.363 0.338 10 0 DCAEHM C[C@@](O)(CO)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000529227928 417428380 /nfs/dbraw/zinc/42/83/80/417428380.db2.gz JTIYDHWWRCCJNE-NSHDSACASA-N -1 3 304.140 0.628 10 0 DCAEHM O=C(c1cnc2ccccn21)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000576662714 417627926 /nfs/dbraw/zinc/62/79/26/417627926.db2.gz VNKPPKNPBSATBP-HNNXBMFYSA-N -1 3 313.317 0.149 10 0 DCAEHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)s1 ZINC000188251312 261125669 /nfs/dbraw/zinc/12/56/69/261125669.db2.gz CNYCIKVTIULLPR-UHFFFAOYSA-N -1 3 315.376 0.930 10 0 DCAEHM CCN1CCN([C@H]2CCN(C(=O)c3ncc(C)cc3[O-])C2)CC1 ZINC000408106673 276200537 /nfs/dbraw/zinc/20/05/37/276200537.db2.gz YZBDREPDHIVTNO-AWEZNQCLSA-N -1 3 318.421 0.948 10 0 DCAEHM COc1nccc(NC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)n1 ZINC000549242298 288195258 /nfs/dbraw/zinc/19/52/58/288195258.db2.gz CXKNMIDQGMAAAM-VIFPVBQESA-N -1 3 304.310 0.548 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCC1(c2cccc(F)c2)CC1 ZINC000124794001 526721437 /nfs/dbraw/zinc/72/14/37/526721437.db2.gz AKVFAMBTJLKCCA-UHFFFAOYSA-N -1 3 305.309 0.525 10 0 DCAEHM COc1cc(F)c(S(=O)(=O)[N-]C2(CO)CC2)cc1OC ZINC000164230942 545874574 /nfs/dbraw/zinc/87/45/74/545874574.db2.gz SPVWSJYKWAVOKM-UHFFFAOYSA-N -1 3 305.327 0.646 10 0 DCAEHM Cn1cnc(S(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)c1 ZINC000238970999 545960560 /nfs/dbraw/zinc/96/05/60/545960560.db2.gz ZKCAZFKMKAWIAT-UHFFFAOYSA-N -1 3 307.375 0.228 10 0 DCAEHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000909185718 663784457 /nfs/dbraw/zinc/78/44/57/663784457.db2.gz BXXFLJDABFVBPF-ZLDLUXBVSA-N -1 3 305.309 0.761 10 0 DCAEHM CCN1CCN(c2ccc(C(=O)[N-]S(C)(=O)=O)cc2)CC1 ZINC000179819819 665403954 /nfs/dbraw/zinc/40/39/54/665403954.db2.gz KQWYLGWRQKJVMX-UHFFFAOYSA-N -1 3 311.407 0.518 10 0 DCAEHM Cc1ncc(C(=O)NCCNC(=O)c2ccccc2[O-])c(C)n1 ZINC000180709778 1185175771 /nfs/dbraw/zinc/17/57/71/1185175771.db2.gz YNYTXJDTEGWBNE-UHFFFAOYSA-N -1 3 314.345 0.959 10 0 DCAEHM O=S(=O)([N-][C@@H]1COC[C@@H]1O)c1cnc(Cl)c(Cl)c1 ZINC000323546655 1190446367 /nfs/dbraw/zinc/44/63/67/1190446367.db2.gz RCVJLSUDBGOGQM-SFYZADRCSA-N -1 3 313.162 0.426 10 0 DCAEHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cnc(N)nc2)s1 ZINC000392005843 1190701369 /nfs/dbraw/zinc/70/13/69/1190701369.db2.gz PIFLZDNQWYSUDT-YFKPBYRVSA-N -1 3 300.369 0.089 10 0 DCAEHM C[C@H]1CN(C)c2ccccc2CN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000152596790 290811265 /nfs/dbraw/zinc/81/12/65/290811265.db2.gz FPHXJNUOUMCPDR-JQWIXIFHSA-N -1 3 316.361 0.452 10 0 DCAEHM CCCN(CCc1ccccn1)C(=O)CN1CC(=O)[N-]C1=O ZINC000078646484 191903869 /nfs/dbraw/zinc/90/38/69/191903869.db2.gz TXJLNNRZNRMENR-UHFFFAOYSA-N -1 3 304.350 0.415 10 0 DCAEHM COc1nnc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)[n-]1 ZINC000179366779 199022206 /nfs/dbraw/zinc/02/22/06/199022206.db2.gz KLGPLYHDAMEWON-LBPRGKRZSA-N -1 3 317.349 0.653 10 0 DCAEHM COc1nc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n[n-]1 ZINC000179366779 199022208 /nfs/dbraw/zinc/02/22/08/199022208.db2.gz KLGPLYHDAMEWON-LBPRGKRZSA-N -1 3 317.349 0.653 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000179366779 199022209 /nfs/dbraw/zinc/02/22/09/199022209.db2.gz KLGPLYHDAMEWON-LBPRGKRZSA-N -1 3 317.349 0.653 10 0 DCAEHM CN(CC1CC(O)C1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000091489232 193063262 /nfs/dbraw/zinc/06/32/62/193063262.db2.gz YNKYXICCXGVGBT-UHFFFAOYSA-N -1 3 312.391 0.901 10 0 DCAEHM CC1(CNC(=O)C[N-]S(=O)(=O)c2cccs2)COC1 ZINC000264926463 204274766 /nfs/dbraw/zinc/27/47/66/204274766.db2.gz VOECAMUGBNQENH-UHFFFAOYSA-N -1 3 304.393 0.179 10 0 DCAEHM CC(=O)N1CCC[C@@H](CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000338929326 253011406 /nfs/dbraw/zinc/01/14/06/253011406.db2.gz NHBPVDSTOHRCHF-NSHDSACASA-N -1 3 321.381 0.237 10 0 DCAEHM CN1CCO[C@@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C[C@@H]21 ZINC000284387493 131076087 /nfs/dbraw/zinc/07/60/87/131076087.db2.gz BBFPYFMEKMVTNC-UONOGXRCSA-N -1 3 301.350 0.503 10 0 DCAEHM CCNS(=O)(=O)[N-][C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444274684 285607429 /nfs/dbraw/zinc/60/74/29/285607429.db2.gz DGBWDLLDQMZQSQ-JOYOIKCWSA-N -1 3 308.400 0.177 10 0 DCAEHM O=c1[n-]c(=O)n(C[C@H]2CCCO2)cc1I ZINC000094206911 395739866 /nfs/dbraw/zinc/73/98/66/395739866.db2.gz PCXVXEJNKKGPJS-ZCFIWIBFSA-N -1 3 322.102 0.320 10 0 DCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N(CC)CC(F)F ZINC000273396033 395918537 /nfs/dbraw/zinc/91/85/37/395918537.db2.gz FMPGHWXYSHJGEI-UHFFFAOYSA-N -1 3 311.310 0.862 10 0 DCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N(CC)CC(F)F ZINC000273396033 395918539 /nfs/dbraw/zinc/91/85/39/395918539.db2.gz FMPGHWXYSHJGEI-UHFFFAOYSA-N -1 3 311.310 0.862 10 0 DCAEHM C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000272252046 395879589 /nfs/dbraw/zinc/87/95/89/395879589.db2.gz ZJSNTJYBNANTJN-SNVBAGLBSA-N -1 3 308.382 0.288 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000137084599 395949966 /nfs/dbraw/zinc/94/99/66/395949966.db2.gz NTJPOJFYQMZKFD-NSHDSACASA-N -1 3 320.324 0.963 10 0 DCAEHM Cc1ccc2c(c1)nc(CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)n2C ZINC000186159402 396342578 /nfs/dbraw/zinc/34/25/78/396342578.db2.gz WZAZRRUKMUNDFV-JTQLQIEISA-N -1 3 315.333 0.096 10 0 DCAEHM CN1CCC[C@@H]1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291512221 396495997 /nfs/dbraw/zinc/49/59/97/396495997.db2.gz ISXNJPOGZHXCRW-SNVBAGLBSA-N -1 3 304.350 0.615 10 0 DCAEHM C[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1N1CCOCC1 ZINC000371923133 396480415 /nfs/dbraw/zinc/48/04/15/396480415.db2.gz CGVJJUDUZYUURO-GXTWGEPZSA-N -1 3 317.393 0.175 10 0 DCAEHM C[C@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)Cc2ccccc2O1 ZINC000294427334 396674065 /nfs/dbraw/zinc/67/40/65/396674065.db2.gz YKDSUGZVGXUPEB-JTQLQIEISA-N -1 3 303.318 0.348 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000374912093 396696849 /nfs/dbraw/zinc/69/68/49/396696849.db2.gz DCPFCSYACMHWKI-LBPRGKRZSA-N -1 3 321.308 0.357 10 0 DCAEHM O=C([O-])C1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000309648082 396756951 /nfs/dbraw/zinc/75/69/51/396756951.db2.gz DRVVSZYDHSJOOS-CQSZACIVSA-N -1 3 303.362 0.987 10 0 DCAEHM CCCCCS(=O)(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000365518631 397290341 /nfs/dbraw/zinc/29/03/41/397290341.db2.gz BMWREFRLJGKLOR-LBPRGKRZSA-N -1 3 303.384 0.180 10 0 DCAEHM c1ccc(-n2nnnc2CCSCCc2nnn[n-]2)cc1 ZINC000603337498 397597915 /nfs/dbraw/zinc/59/79/15/397597915.db2.gz AEVJWIMXUYMFCK-UHFFFAOYSA-N -1 3 302.367 0.694 10 0 DCAEHM c1ccc(-n2nnnc2CCSCCc2nn[n-]n2)cc1 ZINC000603337498 397597916 /nfs/dbraw/zinc/59/79/16/397597916.db2.gz AEVJWIMXUYMFCK-UHFFFAOYSA-N -1 3 302.367 0.694 10 0 DCAEHM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)NC2CC2)(C(=O)OC)C1(C)C ZINC000444275426 286310246 /nfs/dbraw/zinc/31/02/46/286310246.db2.gz CLNSGBRREGFJSR-ZWNOBZJWSA-N -1 3 320.411 0.320 10 0 DCAEHM C[C@@H](O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127529245 158273843 /nfs/dbraw/zinc/27/38/43/158273843.db2.gz LSIDRSBYQJIVPO-YPMHNXCESA-N -1 3 306.362 0.884 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000328735714 159025705 /nfs/dbraw/zinc/02/57/05/159025705.db2.gz ZEVTUSWWOVKQNW-NWDGAFQWSA-N -1 3 320.324 0.941 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000329988691 159133899 /nfs/dbraw/zinc/13/38/99/159133899.db2.gz HLDCCELFHKQULF-GFCCVEGCSA-N -1 3 314.411 0.045 10 0 DCAEHM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)C1 ZINC000407990290 160004177 /nfs/dbraw/zinc/00/41/77/160004177.db2.gz LSISLNKAIASMMS-JTQLQIEISA-N -1 3 303.771 0.634 10 0 DCAEHM CN(C)C(=O)C1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000408019127 160013456 /nfs/dbraw/zinc/01/34/56/160013456.db2.gz DPTDJAWANABJIW-UHFFFAOYSA-N -1 3 301.350 0.898 10 0 DCAEHM CC(C)(C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccccc1F ZINC000408032881 160017343 /nfs/dbraw/zinc/01/73/43/160017343.db2.gz DHWHZPXRKXVMPD-LBPRGKRZSA-N -1 3 319.336 0.866 10 0 DCAEHM CC1(C)Cc2ccc(C(=O)N3CCO[C@@H](C(N)=O)C3)c([O-])c2O1 ZINC000408410669 160102520 /nfs/dbraw/zinc/10/25/20/160102520.db2.gz WMAXVOCMGPYKFF-LLVKDONJSA-N -1 3 320.345 0.432 10 0 DCAEHM C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1nnc[n-]1)c1ccccc1 ZINC000086169718 415510364 /nfs/dbraw/zinc/51/03/64/415510364.db2.gz ASKNRISATUIFGK-NXEZZACHSA-N -1 3 308.363 0.844 10 0 DCAEHM CC[C@@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(=O)OC ZINC000121485052 415805957 /nfs/dbraw/zinc/80/59/57/415805957.db2.gz FMHOEVOZFXBQIU-SNVBAGLBSA-N -1 3 303.384 0.769 10 0 DCAEHM C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1cccc(Cl)c1 ZINC000174417653 416077120 /nfs/dbraw/zinc/07/71/20/416077120.db2.gz XWONUMDCURBECV-ZCFIWIBFSA-N -1 3 308.725 0.790 10 0 DCAEHM COc1nnc(NC(=O)c2ccccc2N2CCOCC2)[n-]1 ZINC000182992020 416234779 /nfs/dbraw/zinc/23/47/79/416234779.db2.gz MCEWJWSJQCBWDN-UHFFFAOYSA-N -1 3 303.322 0.902 10 0 DCAEHM COc1nc(NC(=O)c2ccccc2N2CCOCC2)n[n-]1 ZINC000182992020 416234781 /nfs/dbraw/zinc/23/47/81/416234781.db2.gz MCEWJWSJQCBWDN-UHFFFAOYSA-N -1 3 303.322 0.902 10 0 DCAEHM COc1n[n-]c(NC(=O)c2ccccc2N2CCOCC2)n1 ZINC000182992020 416234785 /nfs/dbraw/zinc/23/47/85/416234785.db2.gz MCEWJWSJQCBWDN-UHFFFAOYSA-N -1 3 303.322 0.902 10 0 DCAEHM O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1c[n-]nn1 ZINC000192216329 416301802 /nfs/dbraw/zinc/30/18/02/416301802.db2.gz XHMZMXRGTQVRQJ-LLVKDONJSA-N -1 3 303.297 0.475 10 0 DCAEHM O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cnn[n-]1 ZINC000192216329 416301804 /nfs/dbraw/zinc/30/18/04/416301804.db2.gz XHMZMXRGTQVRQJ-LLVKDONJSA-N -1 3 303.297 0.475 10 0 DCAEHM O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cn[n-]n1 ZINC000192216329 416301809 /nfs/dbraw/zinc/30/18/09/416301809.db2.gz XHMZMXRGTQVRQJ-LLVKDONJSA-N -1 3 303.297 0.475 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000436715916 416567576 /nfs/dbraw/zinc/56/75/76/416567576.db2.gz MQSMWXSZFFFBJV-WDEREUQCSA-N -1 3 322.361 0.887 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000436716764 416568609 /nfs/dbraw/zinc/56/86/09/416568609.db2.gz QWWRIGPSFMMNGG-WDEREUQCSA-N -1 3 322.361 0.887 10 0 DCAEHM CN(Cc1cnccn1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000522779793 417066845 /nfs/dbraw/zinc/06/68/45/417066845.db2.gz HBXKJCQIBAOIPV-UHFFFAOYSA-N -1 3 300.318 0.571 10 0 DCAEHM CCNC(=O)N1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000450123174 417198757 /nfs/dbraw/zinc/19/87/57/417198757.db2.gz VSJLANMSJOWLTF-LLVKDONJSA-N -1 3 309.341 0.994 10 0 DCAEHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(F)F ZINC000451078131 417299418 /nfs/dbraw/zinc/29/94/18/417299418.db2.gz DZHLPJJKKUOELI-MRVPVSSYSA-N -1 3 309.338 0.707 10 0 DCAEHM C[C@H](OCc1ccccc1)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000662750787 417888121 /nfs/dbraw/zinc/88/81/21/417888121.db2.gz GXMLAPLWPCGTCQ-NSHDSACASA-N -1 3 316.361 0.862 10 0 DCAEHM COc1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1[O-] ZINC000391340994 262160149 /nfs/dbraw/zinc/16/01/49/262160149.db2.gz CUCGQDDYZGFZLK-HNNXBMFYSA-N -1 3 319.317 0.215 10 0 DCAEHM C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000393021065 262161110 /nfs/dbraw/zinc/16/11/10/262161110.db2.gz RLEZUTBMQFTSPY-CPCISQLKSA-N -1 3 304.318 0.910 10 0 DCAEHM C[C@@H]1CCCN1S(=O)(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000358640471 271059605 /nfs/dbraw/zinc/05/96/05/271059605.db2.gz MXHIBRYLHPIUQP-ZCFIWIBFSA-N -1 3 313.305 0.642 10 0 DCAEHM C[C@@H]1CCCN1S(=O)(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000358640471 271059611 /nfs/dbraw/zinc/05/96/11/271059611.db2.gz MXHIBRYLHPIUQP-ZCFIWIBFSA-N -1 3 313.305 0.642 10 0 DCAEHM C[C@@H]1CCCN1S(=O)(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000358640471 271059613 /nfs/dbraw/zinc/05/96/13/271059613.db2.gz MXHIBRYLHPIUQP-ZCFIWIBFSA-N -1 3 313.305 0.642 10 0 DCAEHM CN1CCO[C@H](CN(CC2CC2)C(=O)c2cncc([O-])c2)C1 ZINC000275752629 290107842 /nfs/dbraw/zinc/10/78/42/290107842.db2.gz QXZHDQQKDUDXEJ-HNNXBMFYSA-N -1 3 305.378 0.970 10 0 DCAEHM COC[C@H](O)C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000338423573 293185410 /nfs/dbraw/zinc/18/54/10/293185410.db2.gz MDYBMFYCKIBCHG-WDMOLILDSA-N -1 3 319.423 0.309 10 0 DCAEHM Cn1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(=O)[n-]c1=O ZINC000408349177 294215841 /nfs/dbraw/zinc/21/58/41/294215841.db2.gz GZAPEPLDJYCFHF-MEBBXXQBSA-N -1 3 307.350 0.253 10 0 DCAEHM CS(=O)(=O)C1(C[N-]S(=O)(=O)[C@H]2CCCOC2)CCC1 ZINC000330071758 295477732 /nfs/dbraw/zinc/47/77/32/295477732.db2.gz JEQXHAQWSKJUSZ-JTQLQIEISA-N -1 3 311.425 0.052 10 0 DCAEHM CC(C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000135841223 298108881 /nfs/dbraw/zinc/10/88/81/298108881.db2.gz KLVWWNAUWGIIJX-SKDRFNHKSA-N -1 3 311.359 0.630 10 0 DCAEHM CN(C)Cc1ccccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000365981349 521930727 /nfs/dbraw/zinc/93/07/27/521930727.db2.gz NUFBBIOFDOAJJB-CYBMUJFWSA-N -1 3 316.365 0.475 10 0 DCAEHM CN(C)Cc1ccccc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000365981349 521930731 /nfs/dbraw/zinc/93/07/31/521930731.db2.gz NUFBBIOFDOAJJB-CYBMUJFWSA-N -1 3 316.365 0.475 10 0 DCAEHM COc1nnc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)[n-]1 ZINC000158205363 524983824 /nfs/dbraw/zinc/98/38/24/524983824.db2.gz GLFYRXOGZKWNSB-UHFFFAOYSA-N -1 3 310.335 0.778 10 0 DCAEHM COc1nc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)n[n-]1 ZINC000158205363 524983838 /nfs/dbraw/zinc/98/38/38/524983838.db2.gz GLFYRXOGZKWNSB-UHFFFAOYSA-N -1 3 310.335 0.778 10 0 DCAEHM COc1n[n-]c(NC(=O)c2cc(S(C)(=O)=O)ccc2C)n1 ZINC000158205363 524983845 /nfs/dbraw/zinc/98/38/45/524983845.db2.gz GLFYRXOGZKWNSB-UHFFFAOYSA-N -1 3 310.335 0.778 10 0 DCAEHM O=S(=O)([N-]C[C@H](O)CN1CCCCC1)c1ccccc1F ZINC000158964614 527226016 /nfs/dbraw/zinc/22/60/16/527226016.db2.gz XIYBJWSUADYKMH-LBPRGKRZSA-N -1 3 316.398 0.951 10 0 DCAEHM CCc1nccn1CCCNC(=O)Cc1nc(C)[n-]c(=O)c1C ZINC000222934128 664395720 /nfs/dbraw/zinc/39/57/20/664395720.db2.gz UMEUSOWOAIGVIN-UHFFFAOYSA-N -1 3 317.393 0.895 10 0 DCAEHM Cc1nnc(CN2CC[C@@H](c3cc(=O)[n-]c(N(C)C)n3)C2)o1 ZINC000864329192 667242079 /nfs/dbraw/zinc/24/20/79/667242079.db2.gz TVWYTEUFRIWMJN-SNVBAGLBSA-N -1 3 304.354 0.929 10 0 DCAEHM Cc1cc(CC(=O)NCCNC(=O)c2ccccc2[O-])n[nH]1 ZINC000126530033 1177247867 /nfs/dbraw/zinc/24/78/67/1177247867.db2.gz WUNBKVTYFXXBEL-UHFFFAOYSA-N -1 3 302.334 0.512 10 0 DCAEHM Cc1cc(CC(=O)NCCNC(=O)c2ccccc2[O-])[nH]n1 ZINC000126530033 1177247870 /nfs/dbraw/zinc/24/78/70/1177247870.db2.gz WUNBKVTYFXXBEL-UHFFFAOYSA-N -1 3 302.334 0.512 10 0 DCAEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)NC2=O)sc1Cl ZINC000231809827 1180557730 /nfs/dbraw/zinc/55/77/30/1180557730.db2.gz PKTPIJLEBALMKP-ZCFIWIBFSA-N -1 3 322.795 0.793 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCCS(=O)(=O)C1)c1cccnc1F ZINC000401832377 774067841 /nfs/dbraw/zinc/06/78/41/774067841.db2.gz NSRKNCSGSYRKKB-MRVPVSSYSA-N -1 3 308.356 0.076 10 0 DCAEHM CC(C)(CS(C)(=O)=O)[N-]S(=O)(=O)c1cccnc1F ZINC000401806476 774066478 /nfs/dbraw/zinc/06/64/78/774066478.db2.gz BXZDVDBJGVACSO-UHFFFAOYSA-N -1 3 310.372 0.322 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@@H]2C)c(C)o1 ZINC000081782794 192322667 /nfs/dbraw/zinc/32/26/67/192322667.db2.gz MNUNRMBZPJCISG-DTORHVGOSA-N -1 3 316.379 0.746 10 0 DCAEHM CC(C)(C)[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000042278581 183248777 /nfs/dbraw/zinc/24/87/77/183248777.db2.gz BTQNDHUSIKKPDN-UHFFFAOYSA-N -1 3 310.372 0.550 10 0 DCAEHM NC(=S)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000061886686 184192148 /nfs/dbraw/zinc/19/21/48/184192148.db2.gz YBYFXUCAXHUPLC-ZJUUUORDSA-N -1 3 303.384 0.954 10 0 DCAEHM CCN(CCS(C)(=O)=O)C(=O)c1cccc(OC)c1[O-] ZINC000269901510 284986126 /nfs/dbraw/zinc/98/61/26/284986126.db2.gz ZDZMXTWBYDURSR-UHFFFAOYSA-N -1 3 301.364 0.908 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2C[C@@H](O)C[C@H]2c2nc(C)no2)n1 ZINC000339199584 253039021 /nfs/dbraw/zinc/03/90/21/253039021.db2.gz CBRNJBWRHZMSRJ-QWRGUYRKSA-N -1 3 305.338 0.744 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)cn1C ZINC000349974314 254307083 /nfs/dbraw/zinc/30/70/83/254307083.db2.gz MHDUEDGLAAQHRA-ZETCQYMHSA-N -1 3 301.290 0.320 10 0 DCAEHM O=c1[n-]c(=O)n(CCC2CC2)cc1I ZINC000086788569 395705058 /nfs/dbraw/zinc/70/50/58/395705058.db2.gz SPFJOKCTKKCILC-UHFFFAOYSA-N -1 3 306.103 0.941 10 0 DCAEHM C[C@@H](CCO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000125866830 395907411 /nfs/dbraw/zinc/90/74/11/395907411.db2.gz LQMBZSJGGMGEPH-UWVGGRQHSA-N -1 3 318.370 0.380 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)CN2CCCCC2=O)n[n-]1 ZINC000119570117 395872233 /nfs/dbraw/zinc/87/22/33/395872233.db2.gz KOHUIXWVJPXMQM-UHFFFAOYSA-N -1 3 302.338 0.761 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)CN2CCCCC2=O)[n-]n1 ZINC000119570117 395872234 /nfs/dbraw/zinc/87/22/34/395872234.db2.gz KOHUIXWVJPXMQM-UHFFFAOYSA-N -1 3 302.338 0.761 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000153987653 396028107 /nfs/dbraw/zinc/02/81/07/396028107.db2.gz DFYJINUSTNBWSZ-RNJXMRFFSA-N -1 3 307.272 0.822 10 0 DCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCn3ncnc32)c1 ZINC000176750388 396159921 /nfs/dbraw/zinc/15/99/21/396159921.db2.gz DPWAMSRSNUWZGD-LLVKDONJSA-N -1 3 324.410 0.944 10 0 DCAEHM Cc1oc2ccccc2c1CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000184035009 396282121 /nfs/dbraw/zinc/28/21/21/396282121.db2.gz FNRMLFWYAMJWMS-NSHDSACASA-N -1 3 301.302 0.956 10 0 DCAEHM COc1nnc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)[n-]1 ZINC000184234001 396288262 /nfs/dbraw/zinc/28/82/62/396288262.db2.gz VNDPTWDUGPJZTA-UHFFFAOYSA-N -1 3 303.322 0.799 10 0 DCAEHM COc1nc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)n[n-]1 ZINC000184234001 396288265 /nfs/dbraw/zinc/28/82/65/396288265.db2.gz VNDPTWDUGPJZTA-UHFFFAOYSA-N -1 3 303.322 0.799 10 0 DCAEHM COc1n[n-]c(NC(=O)CNC(=O)c2ccc(C)c(C)c2)n1 ZINC000184234001 396288268 /nfs/dbraw/zinc/28/82/68/396288268.db2.gz VNDPTWDUGPJZTA-UHFFFAOYSA-N -1 3 303.322 0.799 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NC1(c2nccs2)CCCC1 ZINC000265697640 396337890 /nfs/dbraw/zinc/33/78/90/396337890.db2.gz XWMDQHQEDGPDRW-UHFFFAOYSA-N -1 3 308.363 0.580 10 0 DCAEHM CC[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000188282880 396381040 /nfs/dbraw/zinc/38/10/40/396381040.db2.gz OPTCQPKSJQHIQW-AAEUAGOBSA-N -1 3 306.362 0.884 10 0 DCAEHM O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1cccc([O-])c1 ZINC000371666925 396473837 /nfs/dbraw/zinc/47/38/37/396473837.db2.gz XUCSQVRVHMOOFE-HNNXBMFYSA-N -1 3 319.405 0.529 10 0 DCAEHM CC(=O)CSCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000292018668 396525587 /nfs/dbraw/zinc/52/55/87/396525587.db2.gz OFRPSYIFMLWVGJ-UHFFFAOYSA-N -1 3 323.374 0.843 10 0 DCAEHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000630575422 397050027 /nfs/dbraw/zinc/05/00/27/397050027.db2.gz ZHNCDNKGBQXCNR-KGLIPLIRSA-N -1 3 307.394 0.767 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000630572109 397050415 /nfs/dbraw/zinc/05/04/15/397050415.db2.gz ZXJUGNFSKBHGRA-CABCVRRESA-N -1 3 319.405 0.911 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)n1 ZINC000121561041 158211767 /nfs/dbraw/zinc/21/17/67/158211767.db2.gz LZRBSOYZCMCGGQ-LLVKDONJSA-N -1 3 304.354 0.745 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)n1 ZINC000121561041 158211768 /nfs/dbraw/zinc/21/17/68/158211768.db2.gz LZRBSOYZCMCGGQ-LLVKDONJSA-N -1 3 304.354 0.745 10 0 DCAEHM O=S(=O)([N-]C[C@@H]1CNCCO1)c1ccc(Cl)cc1F ZINC000134263515 158325802 /nfs/dbraw/zinc/32/58/02/158325802.db2.gz SCLGPKCBZVDXTQ-VIFPVBQESA-N -1 3 308.762 0.746 10 0 DCAEHM C[C@H](O)C(C)(C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000167079188 158366850 /nfs/dbraw/zinc/36/68/50/158366850.db2.gz RJPGMVNQTDSMQD-VIFPVBQESA-N -1 3 300.380 0.947 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000171870177 158387926 /nfs/dbraw/zinc/38/79/26/158387926.db2.gz ORLHDUHFKPRUEQ-MRXNPFEDSA-N -1 3 324.340 0.839 10 0 DCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000328708289 159023267 /nfs/dbraw/zinc/02/32/67/159023267.db2.gz ZUMZVGUGJVNSIR-GFCCVEGCSA-N -1 3 318.308 0.917 10 0 DCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000328708289 159023268 /nfs/dbraw/zinc/02/32/68/159023268.db2.gz ZUMZVGUGJVNSIR-GFCCVEGCSA-N -1 3 318.308 0.917 10 0 DCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000328708289 159023269 /nfs/dbraw/zinc/02/32/69/159023269.db2.gz ZUMZVGUGJVNSIR-GFCCVEGCSA-N -1 3 318.308 0.917 10 0 DCAEHM O=C(C[C@@H]1CCCCNC1=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329273210 159078638 /nfs/dbraw/zinc/07/86/38/159078638.db2.gz IWXJAFGWIANOMA-UWVGGRQHSA-N -1 3 308.338 0.736 10 0 DCAEHM CC(C)[C@@H]1N(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C[C@]12CCCO2 ZINC000329335341 159083304 /nfs/dbraw/zinc/08/33/04/159083304.db2.gz OLWHZDKWJFIADS-IINYFYTJSA-N -1 3 308.338 0.500 10 0 DCAEHM COc1c(C[N-]S(=O)(=O)Cc2cc(C)no2)c(C)nn1C ZINC000329536222 159100741 /nfs/dbraw/zinc/10/07/41/159100741.db2.gz AZOLPGGMZLNDAC-UHFFFAOYSA-N -1 3 314.367 0.653 10 0 DCAEHM CN(C)c1nc(C(=O)N2CCN3CCCC[C@H]3C2)cc(=O)[n-]1 ZINC000407986079 160003918 /nfs/dbraw/zinc/00/39/18/160003918.db2.gz KMRWYFXWOASMQX-NSHDSACASA-N -1 3 305.382 0.559 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)[C@H](C)CO1 ZINC000408002764 160007755 /nfs/dbraw/zinc/00/77/55/160007755.db2.gz HJTPWIIDDMONQS-IWSPIJDZSA-N -1 3 320.333 0.243 10 0 DCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)C(C)C ZINC000408237973 160066782 /nfs/dbraw/zinc/06/67/82/160066782.db2.gz SGMMDRKZORBJPJ-AXFHLTTASA-N -1 3 308.400 0.128 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000408394883 160099901 /nfs/dbraw/zinc/09/99/01/160099901.db2.gz RKGLQRPNMYRERX-QNWHQSFQSA-N -1 3 322.427 0.124 10 0 DCAEHM CCc1ccc([O-])c(C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000135574354 287023707 /nfs/dbraw/zinc/02/37/07/287023707.db2.gz DSCHTXYLLBEPQA-CYBMUJFWSA-N -1 3 308.378 0.378 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCN2C)co1 ZINC000151684632 287035433 /nfs/dbraw/zinc/03/54/33/287035433.db2.gz AEGKUWXPOGMZOH-JTQLQIEISA-N -1 3 301.368 0.012 10 0 DCAEHM C[C@@H]1C[C@@H](S(=O)(=O)[N-][C@H]2CN(c3ccccc3)C2=O)CCO1 ZINC000333276920 415598984 /nfs/dbraw/zinc/59/89/84/415598984.db2.gz DMFCRKFBNFSMNL-XBFCOCLRSA-N -1 3 324.402 0.889 10 0 DCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)[C@@H](C)CO ZINC000158821219 416003325 /nfs/dbraw/zinc/00/33/25/416003325.db2.gz AFEFFVAKKBAMLO-JGVFFNPUSA-N -1 3 307.393 0.830 10 0 DCAEHM COc1cccc(C(=O)N2CCNC[C@@H]2c2cnn(C)c2)c1[O-] ZINC000181455976 416208175 /nfs/dbraw/zinc/20/81/75/416208175.db2.gz KOFGLIBDAJHUBJ-CYBMUJFWSA-N -1 3 316.361 0.921 10 0 DCAEHM CCc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)c([O-])c1 ZINC000189404309 416265664 /nfs/dbraw/zinc/26/56/64/416265664.db2.gz MOZDEFLLIAMZHS-ZDUSSCGKSA-N -1 3 308.378 0.378 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)C[S@@](C)=O ZINC000183206080 416237962 /nfs/dbraw/zinc/23/79/62/416237962.db2.gz ZMKAFJDPJXGRKZ-QVHKOIDPSA-N -1 3 313.832 0.427 10 0 DCAEHM CCc1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1[O-] ZINC000583604615 416476748 /nfs/dbraw/zinc/47/67/48/416476748.db2.gz WICMHCLPXIZOGJ-MRXNPFEDSA-N -1 3 317.345 0.769 10 0 DCAEHM Cc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(C)n1 ZINC000317010259 261176252 /nfs/dbraw/zinc/17/62/52/261176252.db2.gz PWKGXDLEISXRMK-HNNXBMFYSA-N -1 3 302.334 0.513 10 0 DCAEHM C[C@@]1(C2CCN(C(=O)c3cccc([O-])c3)CC2)NC(=O)NC1=O ZINC000360466581 261835281 /nfs/dbraw/zinc/83/52/81/261835281.db2.gz MTCLVTHHVYMFPC-INIZCTEOSA-N -1 3 317.345 0.843 10 0 DCAEHM O=C(NCc1nnc(C(F)(F)F)[n-]1)NC[C@H](CO)C1CC1 ZINC000359146242 271098528 /nfs/dbraw/zinc/09/85/28/271098528.db2.gz QYVBOHKFXZUSHZ-SSDOTTSWSA-N -1 3 307.276 0.641 10 0 DCAEHM O=C(NCc1n[n-]c(C(F)(F)F)n1)NC[C@H](CO)C1CC1 ZINC000359146242 271098531 /nfs/dbraw/zinc/09/85/31/271098531.db2.gz QYVBOHKFXZUSHZ-SSDOTTSWSA-N -1 3 307.276 0.641 10 0 DCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC[C@H](CO)C1CC1 ZINC000359146242 271098534 /nfs/dbraw/zinc/09/85/34/271098534.db2.gz QYVBOHKFXZUSHZ-SSDOTTSWSA-N -1 3 307.276 0.641 10 0 DCAEHM CCn1nncc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000459343419 271992625 /nfs/dbraw/zinc/99/26/25/271992625.db2.gz FWZDKMFNFWOPKE-UHFFFAOYSA-N -1 3 315.377 0.962 10 0 DCAEHM COc1nccc(NC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)n1 ZINC000549242297 288195167 /nfs/dbraw/zinc/19/51/67/288195167.db2.gz CXKNMIDQGMAAAM-SECBINFHSA-N -1 3 304.310 0.548 10 0 DCAEHM COc1cc(C)ccc1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000563505148 288681029 /nfs/dbraw/zinc/68/10/29/288681029.db2.gz FCPWHSNLKRMNLN-INIZCTEOSA-N -1 3 317.345 0.818 10 0 DCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)CC3CCCC3)C2)N1 ZINC000365523651 304657806 /nfs/dbraw/zinc/65/78/06/304657806.db2.gz RMVIZEOBHKXRQI-ZDUSSCGKSA-N -1 3 315.395 0.180 10 0 DCAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCN2CCC1CC2 ZINC000190889023 337398179 /nfs/dbraw/zinc/39/81/79/337398179.db2.gz GAUDJVRTGSMVOX-UHFFFAOYSA-N -1 3 314.345 0.882 10 0 DCAEHM CC(=O)N(C)c1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000266660621 519454145 /nfs/dbraw/zinc/45/41/45/519454145.db2.gz QWEMJGWJAXYICW-UHFFFAOYSA-N -1 3 304.306 0.160 10 0 DCAEHM CC1(C)CN(S(=O)(=O)c2ccc([O-])cc2)C[C@H](CO)O1 ZINC000163291632 520493065 /nfs/dbraw/zinc/49/30/65/520493065.db2.gz WBRULTDCQIKDOQ-LLVKDONJSA-N -1 3 301.364 0.553 10 0 DCAEHM Cc1cc(C)c2c(c1)CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)CC2 ZINC000188651670 524344326 /nfs/dbraw/zinc/34/43/26/524344326.db2.gz QYQLDJWPICNELM-ZDUSSCGKSA-N -1 3 301.346 0.786 10 0 DCAEHM Cc1cc(C)cc(C[C@H](C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000156468848 524398151 /nfs/dbraw/zinc/39/81/51/524398151.db2.gz YKDNUSRZOBBWAC-AAEUAGOBSA-N -1 3 303.362 0.949 10 0 DCAEHM Cc1ccc(C[C@H](C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(C)c1 ZINC000155746105 524675839 /nfs/dbraw/zinc/67/58/39/524675839.db2.gz QSVKTRWJXHAVDC-AAEUAGOBSA-N -1 3 303.362 0.949 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cccc(-c2ccccn2)c1 ZINC000164153862 527138724 /nfs/dbraw/zinc/13/87/24/527138724.db2.gz JNOOGLFVPGFWQV-AWEZNQCLSA-N -1 3 324.340 0.963 10 0 DCAEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000153381214 527581564 /nfs/dbraw/zinc/58/15/64/527581564.db2.gz DWRWBFLLFHXZDB-SECBINFHSA-N -1 3 321.381 0.676 10 0 DCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCC2=CCCC2)c1 ZINC000152487836 545825837 /nfs/dbraw/zinc/82/58/37/545825837.db2.gz XYHVBDSKNITSNH-UHFFFAOYSA-N -1 3 312.395 0.315 10 0 DCAEHM CC[C@@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)C(=O)[O-] ZINC000702400914 666954672 /nfs/dbraw/zinc/95/46/72/666954672.db2.gz JVJHLAOLMNUJLS-UONOGXRCSA-N -1 3 307.394 0.673 10 0 DCAEHM CCOc1nnc(NC(=O)c2ccc(S(C)(=O)=O)cc2)[n-]1 ZINC000228789940 1158068853 /nfs/dbraw/zinc/06/88/53/1158068853.db2.gz ZZQXWOFVESOBQH-UHFFFAOYSA-N -1 3 310.335 0.859 10 0 DCAEHM CCOc1nc(NC(=O)c2ccc(S(C)(=O)=O)cc2)n[n-]1 ZINC000228789940 1158068860 /nfs/dbraw/zinc/06/88/60/1158068860.db2.gz ZZQXWOFVESOBQH-UHFFFAOYSA-N -1 3 310.335 0.859 10 0 DCAEHM CCOc1n[n-]c(NC(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000228789940 1158068868 /nfs/dbraw/zinc/06/88/68/1158068868.db2.gz ZZQXWOFVESOBQH-UHFFFAOYSA-N -1 3 310.335 0.859 10 0 DCAEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC(=O)NC2=O)sc1Cl ZINC000231809830 1180557974 /nfs/dbraw/zinc/55/79/74/1180557974.db2.gz PKTPIJLEBALMKP-LURJTMIESA-N -1 3 322.795 0.793 10 0 DCAEHM CCC(CC)CS(=O)(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366152209 282169255 /nfs/dbraw/zinc/16/92/55/282169255.db2.gz AFTIYMIRUCTTMH-ZDUSSCGKSA-N -1 3 317.411 0.426 10 0 DCAEHM C[C@H]1CC[C@H](C)N(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000088694420 185262394 /nfs/dbraw/zinc/26/23/94/185262394.db2.gz IHFUZIOBQJGBPH-QWRGUYRKSA-N -1 3 314.411 0.345 10 0 DCAEHM CN1CCN(C(=O)C[C@H]2NC(=O)[N-]C2=O)[C@@H](c2ccccc2)C1 ZINC000042848629 183314239 /nfs/dbraw/zinc/31/42/39/183314239.db2.gz JVIKOVARIHRIBV-CHWSQXEVSA-N -1 3 316.361 0.100 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1c[nH]c2ccccc12 ZINC000042811803 183311465 /nfs/dbraw/zinc/31/14/65/183311465.db2.gz NJIRVTJLXYUINF-LBPRGKRZSA-N -1 3 300.318 0.425 10 0 DCAEHM CN(CCc1ccc(F)cc1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000056228114 184007574 /nfs/dbraw/zinc/00/75/74/184007574.db2.gz HENQCZQMSQBLMY-LBPRGKRZSA-N -1 3 307.325 0.815 10 0 DCAEHM COc1ccc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c([O-])c1 ZINC000284653476 131100762 /nfs/dbraw/zinc/10/07/62/131100762.db2.gz WIHKFCCGFYFBEO-UKRRQHHQSA-N -1 3 306.362 0.946 10 0 DCAEHM CCNS(=O)(=O)[N-][C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444274685 285608154 /nfs/dbraw/zinc/60/81/54/285608154.db2.gz DGBWDLLDQMZQSQ-SKDRFNHKSA-N -1 3 308.400 0.177 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC1CC(O)C1 ZINC000091525292 395725911 /nfs/dbraw/zinc/72/59/11/395725911.db2.gz WYYFOOVROZQOGT-UHFFFAOYSA-N -1 3 317.363 0.732 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H](C)CCO ZINC000097444739 395758190 /nfs/dbraw/zinc/75/81/90/395758190.db2.gz IXNFVZLTYBZWRI-QMMMGPOBSA-N -1 3 319.379 0.980 10 0 DCAEHM CCc1nccn1[C@@H]1CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000111613295 395810502 /nfs/dbraw/zinc/81/05/02/395810502.db2.gz RTVDQDWZRRQFSG-LLVKDONJSA-N -1 3 319.365 0.161 10 0 DCAEHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@@H](C)S(=O)(=O)CC2)on1 ZINC000248851138 395998598 /nfs/dbraw/zinc/99/85/98/395998598.db2.gz TWYXUEWRSVLBKU-MNOVXSKESA-N -1 3 315.395 0.819 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C1(CO)CC1 ZINC000143168463 395960695 /nfs/dbraw/zinc/96/06/95/395960695.db2.gz IEENGUHZJUPSPD-UHFFFAOYSA-N -1 3 303.336 0.486 10 0 DCAEHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000248790291 395997108 /nfs/dbraw/zinc/99/71/08/395997108.db2.gz XLLIXMNOSXNHQO-VHSXEESVSA-N -1 3 300.384 0.175 10 0 DCAEHM Cc1nc(C(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c(C)s1 ZINC000178749272 396207138 /nfs/dbraw/zinc/20/71/38/396207138.db2.gz LCULMGJJCCFCPH-UHFFFAOYSA-N -1 3 308.367 0.692 10 0 DCAEHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000176153767 396150886 /nfs/dbraw/zinc/15/08/86/396150886.db2.gz QMDNNPAAHQHAQF-LLVKDONJSA-N -1 3 322.409 0.436 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N[C@@H]1C[C@@H]3OCCC[C@H]13)c2[O-] ZINC000189330338 396394089 /nfs/dbraw/zinc/39/40/89/396394089.db2.gz YMVNOKKARJDBKR-FXAINCCUSA-N -1 3 302.334 0.971 10 0 DCAEHM CN1CC[C@@H](C[N-]S(=O)(=O)c2c[nH]cn2)[C@@H]1c1cccnc1 ZINC000372429129 396517239 /nfs/dbraw/zinc/51/72/39/396517239.db2.gz ARTXIJSWRRJUAY-JSGCOSHPSA-N -1 3 321.406 0.776 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCOC[C@@H]1O)c1cccc(Cl)c1F ZINC000625597280 396942644 /nfs/dbraw/zinc/94/26/44/396942644.db2.gz NPWIJWIFGVLDKN-BDAKNGLRSA-N -1 3 309.746 0.907 10 0 DCAEHM Cn1cc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)nn1 ZINC000389980339 397298129 /nfs/dbraw/zinc/29/81/29/397298129.db2.gz IGOIDLBPJSLJEH-UHFFFAOYSA-N -1 3 311.754 0.819 10 0 DCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(C3CC3)CC2)cc1 ZINC000620733912 397299328 /nfs/dbraw/zinc/29/93/28/397299328.db2.gz NTKYOQLKBFBREL-UHFFFAOYSA-N -1 3 323.418 0.978 10 0 DCAEHM COc1ccc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c([O-])c1 ZINC000284653469 286281071 /nfs/dbraw/zinc/28/10/71/286281071.db2.gz WIHKFCCGFYFBEO-DZGCQCFKSA-N -1 3 306.362 0.946 10 0 DCAEHM CN1CCN(C(=O)CN2CC(=O)[N-]C2=O)C2(CCCCC2)C1 ZINC000080941232 158082477 /nfs/dbraw/zinc/08/24/77/158082477.db2.gz OZISAILPYFEYHF-UHFFFAOYSA-N -1 3 308.382 0.015 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000089360889 158095501 /nfs/dbraw/zinc/09/55/01/158095501.db2.gz XRCRFWXBUDMKSX-UHFFFAOYSA-N -1 3 312.329 0.604 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2)c1 ZINC000092910383 158116265 /nfs/dbraw/zinc/11/62/65/158116265.db2.gz OWXSUDADOJPAGN-CYBMUJFWSA-N -1 3 309.391 0.785 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C(N)=O)cn2)n[n-]1 ZINC000119302094 158186053 /nfs/dbraw/zinc/18/60/53/158186053.db2.gz JGPXYMDLUYDULO-UHFFFAOYSA-N -1 3 311.305 0.556 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C(N)=O)cn2)[n-]n1 ZINC000119302094 158186054 /nfs/dbraw/zinc/18/60/54/158186054.db2.gz JGPXYMDLUYDULO-UHFFFAOYSA-N -1 3 311.305 0.556 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccccc1-n1ccnc1 ZINC000138494679 158346739 /nfs/dbraw/zinc/34/67/39/158346739.db2.gz FYDQAKIEECJEMZ-NSHDSACASA-N -1 3 313.317 0.087 10 0 DCAEHM O=C(C[C@@H]1CCCCC(=O)N1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000328644467 159016779 /nfs/dbraw/zinc/01/67/79/159016779.db2.gz GPXMSZQEDOOHLG-VHSXEESVSA-N -1 3 308.338 0.879 10 0 DCAEHM CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000407992010 160005350 /nfs/dbraw/zinc/00/53/50/160005350.db2.gz QKSNDMDYKGULQV-LBPRGKRZSA-N -1 3 307.398 0.660 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)C[C@H](C)O1 ZINC000408003559 160007916 /nfs/dbraw/zinc/00/79/16/160007916.db2.gz JLTLNEPXNUJRHW-YIZRAAEISA-N -1 3 320.333 0.243 10 0 DCAEHM C[C@H]1CCN(S(=O)(=O)[N-]c2cnn(-c3ncccn3)c2)C1 ZINC000408142777 160047065 /nfs/dbraw/zinc/04/70/65/160047065.db2.gz YIMDGSYXAWDOPO-JTQLQIEISA-N -1 3 308.367 0.661 10 0 DCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153413871 287049935 /nfs/dbraw/zinc/04/99/35/287049935.db2.gz YLHYLKKUEOYLMB-SNVBAGLBSA-N -1 3 318.308 0.592 10 0 DCAEHM Cc1nc(C)c(CC(=O)N2CCN3CCCC[C@H]3C2)c(=O)[n-]1 ZINC000071839785 415411686 /nfs/dbraw/zinc/41/16/86/415411686.db2.gz ARXPYBAQEWYYPB-ZDUSSCGKSA-N -1 3 304.394 0.626 10 0 DCAEHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(C)(C)C ZINC000088589284 415518128 /nfs/dbraw/zinc/51/81/28/415518128.db2.gz BCBJRMITCKTZGE-SECBINFHSA-N -1 3 302.400 0.249 10 0 DCAEHM Cc1cc(=O)[n-]c(-c2ccc(NS(=O)(=O)N(C)C)cc2)n1 ZINC000172888986 416048717 /nfs/dbraw/zinc/04/87/17/416048717.db2.gz HXMCXMYSSWEFIV-UHFFFAOYSA-N -1 3 308.363 0.964 10 0 DCAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@H](N3CCOCC3)C2)on1 ZINC000173933057 416070946 /nfs/dbraw/zinc/07/09/46/416070946.db2.gz ZFICJHULVKQHDH-OLZOCXBDSA-N -1 3 308.382 0.717 10 0 DCAEHM C/C=C\C[C@@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)OCC ZINC000357145478 416037277 /nfs/dbraw/zinc/03/72/77/416037277.db2.gz BWZVDUAWJDSFAD-JPVGGKMYSA-N -1 3 315.395 0.905 10 0 DCAEHM Cc1nc2ccccc2n1CC(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176257657 416121593 /nfs/dbraw/zinc/12/15/93/416121593.db2.gz DMJVQICDENYZPM-UHFFFAOYSA-N -1 3 314.349 0.505 10 0 DCAEHM O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1c[n-]nn1 ZINC000192216323 416302118 /nfs/dbraw/zinc/30/21/18/416302118.db2.gz XHMZMXRGTQVRQJ-NSHDSACASA-N -1 3 303.297 0.475 10 0 DCAEHM O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cnn[n-]1 ZINC000192216323 416302121 /nfs/dbraw/zinc/30/21/21/416302121.db2.gz XHMZMXRGTQVRQJ-NSHDSACASA-N -1 3 303.297 0.475 10 0 DCAEHM O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cn[n-]n1 ZINC000192216323 416302123 /nfs/dbraw/zinc/30/21/23/416302123.db2.gz XHMZMXRGTQVRQJ-NSHDSACASA-N -1 3 303.297 0.475 10 0 DCAEHM COC(=O)[C@@H](NCC[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000358848024 416284371 /nfs/dbraw/zinc/28/43/71/416284371.db2.gz JYUJFWZFFCLMBI-NSHDSACASA-N -1 3 318.420 0.568 10 0 DCAEHM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1c([O-])cccc1O ZINC000436647806 416565577 /nfs/dbraw/zinc/56/55/77/416565577.db2.gz LMIMMSJWZZSADB-NSHDSACASA-N -1 3 320.345 0.608 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000436713983 416568464 /nfs/dbraw/zinc/56/84/64/416568464.db2.gz GWROXMQUAUWKGA-MNOVXSKESA-N -1 3 322.361 0.887 10 0 DCAEHM CN(CCCO)C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000443002448 416725146 /nfs/dbraw/zinc/72/51/46/416725146.db2.gz UMYAIDSEECFBQY-UHFFFAOYSA-N -1 3 318.370 0.335 10 0 DCAEHM CCO[C@@H]1C[C@]([N-]S(=O)(=O)N(C)CC)(C(=O)OC)C1(C)C ZINC000444289979 416829252 /nfs/dbraw/zinc/82/92/52/416829252.db2.gz TYMIXCIWIZMHOL-MFKMUULPSA-N -1 3 322.427 0.519 10 0 DCAEHM Cn1c(NC(=O)CN2CC(=O)[N-]C2=O)nc2cccc(Cl)c21 ZINC000183847643 261117168 /nfs/dbraw/zinc/11/71/68/261117168.db2.gz CLWUBNFHBBTGOC-UHFFFAOYSA-N -1 3 321.724 0.717 10 0 DCAEHM COC(=O)CCCCCS(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000471624091 272027443 /nfs/dbraw/zinc/02/74/43/272027443.db2.gz GEAJJTADDCNYMB-QMMMGPOBSA-N -1 3 321.317 0.562 10 0 DCAEHM C[C@H](O)CN1CCN(C(=O)/C=C\c2cncc([O-])c2)C[C@H]1C ZINC000492519248 272133125 /nfs/dbraw/zinc/13/31/25/272133125.db2.gz JFXDTEGDEFDFKJ-JXLSXLBDSA-N -1 3 305.378 0.714 10 0 DCAEHM CCc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)c([O-])c1 ZINC000189404330 523891490 /nfs/dbraw/zinc/89/14/90/523891490.db2.gz MOZDEFLLIAMZHS-CYBMUJFWSA-N -1 3 308.378 0.378 10 0 DCAEHM Cc1nc(C)c([C@@H](C)N(C)C(=O)C[C@@H]2NC(=O)[N-]C2=O)s1 ZINC000155671713 526739943 /nfs/dbraw/zinc/73/99/43/526739943.db2.gz LWNQZCFQTXYFPU-APPZFPTMSA-N -1 3 310.379 0.877 10 0 DCAEHM O=C(/C=C/c1cncc([O-])c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000365017658 527649216 /nfs/dbraw/zinc/64/92/16/527649216.db2.gz XBBRRFMAZKXITH-SGFLJFKBSA-N -1 3 317.389 0.858 10 0 DCAEHM Cc1c[nH]nc1C(=O)N1CC[C@@H](c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000685942907 548748012 /nfs/dbraw/zinc/74/80/12/548748012.db2.gz SRFJFWFVIYZHKX-SNVBAGLBSA-N -1 3 316.365 0.909 10 0 DCAEHM O=C(NN1CC(=O)[N-]C1=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000175017491 665311550 /nfs/dbraw/zinc/31/15/50/665311550.db2.gz STCPAOFVCVONCP-UHFFFAOYSA-N -1 3 303.253 0.412 10 0 DCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)c2cccnc2Cl)C1=O ZINC000709120664 667444051 /nfs/dbraw/zinc/44/40/51/667444051.db2.gz AUGKJHUYHJTNEE-MRVPVSSYSA-N -1 3 303.771 0.634 10 0 DCAEHM C[C@@H](O)[C@H](O)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000717298735 667542924 /nfs/dbraw/zinc/54/29/24/667542924.db2.gz MYQGGKYNYQFBDI-LHLIQPBNSA-N -1 3 304.140 0.626 10 0 DCAEHM NC(=O)[C@H]1CCC[C@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC000131818658 669686613 /nfs/dbraw/zinc/68/66/13/669686613.db2.gz ACVUDCZOYLINFI-UWVGGRQHSA-N -1 3 314.345 0.697 10 0 DCAEHM CO[C@@H](C(=O)[O-])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000713191266 670153935 /nfs/dbraw/zinc/15/39/35/670153935.db2.gz QZHFILOKLOGQPM-ZIAGYGMSSA-N -1 3 306.362 0.867 10 0 DCAEHM O=C(NCCNC(=O)C1CCC(O)CC1)c1ccccc1[O-] ZINC000194476487 1188161864 /nfs/dbraw/zinc/16/18/64/1188161864.db2.gz KWUYRLBDAVMHGF-UHFFFAOYSA-N -1 3 306.362 0.789 10 0 DCAEHM O=S(=O)([N-]C[C@@H]1CCCS1(=O)=O)c1cccnc1F ZINC000401809110 774066460 /nfs/dbraw/zinc/06/64/60/774066460.db2.gz DEUBNTNZAYBLPI-QMMMGPOBSA-N -1 3 308.356 0.076 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000076629397 185027653 /nfs/dbraw/zinc/02/76/53/185027653.db2.gz JFUUZEPJCXGNPE-CYBMUJFWSA-N -1 3 301.346 0.676 10 0 DCAEHM CNc1cc(N2CCC[C@@H]2CNC(=O)c2c[n-]nn2)ncn1 ZINC000173410806 198212391 /nfs/dbraw/zinc/21/23/91/198212391.db2.gz BGXCROJILVMWAM-SECBINFHSA-N -1 3 302.342 0.035 10 0 DCAEHM CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn[n-]2)ncn1 ZINC000173410806 198212393 /nfs/dbraw/zinc/21/23/93/198212393.db2.gz BGXCROJILVMWAM-SECBINFHSA-N -1 3 302.342 0.035 10 0 DCAEHM CNc1cc(N2CCC[C@@H]2CNC(=O)c2cn[n-]n2)ncn1 ZINC000173410806 198212395 /nfs/dbraw/zinc/21/23/95/198212395.db2.gz BGXCROJILVMWAM-SECBINFHSA-N -1 3 302.342 0.035 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCOCC1 ZINC000080295903 192022477 /nfs/dbraw/zinc/02/24/77/192022477.db2.gz TYCLGGDDHUFPRH-JTQLQIEISA-N -1 3 316.354 0.351 10 0 DCAEHM C[C@H]1CCCN(S(=O)(=O)[N-]Cc2nc(N(C)C)no2)C1 ZINC000188059661 237365541 /nfs/dbraw/zinc/36/55/41/237365541.db2.gz GISRPYBANPVUOJ-VIFPVBQESA-N -1 3 303.388 0.202 10 0 DCAEHM C[C@H](O)c1ccccc1[N-]S(=O)(=O)CCS(C)(=O)=O ZINC000063143444 184273608 /nfs/dbraw/zinc/27/36/08/184273608.db2.gz WCVFRJPZROJXGG-VIFPVBQESA-N -1 3 307.393 0.526 10 0 DCAEHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000012929719 395688097 /nfs/dbraw/zinc/68/80/97/395688097.db2.gz PMAFFBGGGMYKCU-SSDOTTSWSA-N -1 3 313.383 0.863 10 0 DCAEHM CC(C)c1nc(N(C)C)nc(N2CCC[C@@H](c3nnn[n-]3)C2)n1 ZINC000097234754 395756660 /nfs/dbraw/zinc/75/66/60/395756660.db2.gz CILNSSFSQANUOA-SNVBAGLBSA-N -1 3 317.401 0.958 10 0 DCAEHM CC(C)c1nc(N(C)C)nc(N2CCC[C@@H](c3nn[n-]n3)C2)n1 ZINC000097234754 395756661 /nfs/dbraw/zinc/75/66/61/395756661.db2.gz CILNSSFSQANUOA-SNVBAGLBSA-N -1 3 317.401 0.958 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCc2ncnn2C1)c1cc(F)cc(F)c1 ZINC000113298335 395829257 /nfs/dbraw/zinc/82/92/57/395829257.db2.gz DVZWMYQUUUODIL-SNVBAGLBSA-N -1 3 314.317 0.850 10 0 DCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2)C1=O ZINC000135605351 395941591 /nfs/dbraw/zinc/94/15/91/395941591.db2.gz XCZAJQFGMBLBTA-YUTCNCBUSA-N -1 3 324.402 0.889 10 0 DCAEHM Cc1[nH]c2ccccc2c1CCNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000155427897 396051840 /nfs/dbraw/zinc/05/18/40/396051840.db2.gz BMEXRVJRKUZHKD-ZDUSSCGKSA-N -1 3 314.345 0.733 10 0 DCAEHM Cc1ccc(C[C@H](N)[C@@H](O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000169319110 396090344 /nfs/dbraw/zinc/09/03/44/396090344.db2.gz KECAWAXFNFZHBY-SOUVJXGZSA-N -1 3 322.405 0.841 10 0 DCAEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CN(C)CCO2)c(F)cc1F ZINC000175791160 396142243 /nfs/dbraw/zinc/14/22/43/396142243.db2.gz HUNGHLHXAFWCBN-JTQLQIEISA-N -1 3 320.361 0.882 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H](O)C1CC1 ZINC000071304604 396112842 /nfs/dbraw/zinc/11/28/42/396112842.db2.gz GHMAIPLUUAFMTO-SNVBAGLBSA-N -1 3 317.363 0.732 10 0 DCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)s1 ZINC000176933266 396163529 /nfs/dbraw/zinc/16/35/29/396163529.db2.gz SOSPMUHRVLEZSQ-VIFPVBQESA-N -1 3 303.409 0.659 10 0 DCAEHM O=C([N-]CCCN1CCC[C@H](n2cncn2)C1)C(F)(F)F ZINC000180621991 396233870 /nfs/dbraw/zinc/23/38/70/396233870.db2.gz WOXDWWWFOSNQPX-JTQLQIEISA-N -1 3 305.304 0.984 10 0 DCAEHM Cc1csc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)n1 ZINC000373844066 396617846 /nfs/dbraw/zinc/61/78/46/396617846.db2.gz ILVVYNVOBPBWRG-ZDUSSCGKSA-N -1 3 323.378 0.064 10 0 DCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cn(C)nn1 ZINC000611935021 396951494 /nfs/dbraw/zinc/95/14/94/396951494.db2.gz LOBNQTBZUXAWLA-UHFFFAOYSA-N -1 3 316.364 0.142 10 0 DCAEHM C[C@@H]1CN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000630573131 397050553 /nfs/dbraw/zinc/05/05/53/397050553.db2.gz ACZGGGZWZRWECJ-BPLDGKMQSA-N -1 3 319.405 0.625 10 0 DCAEHM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cccc([O-])c1 ZINC000364697776 397236030 /nfs/dbraw/zinc/23/60/30/397236030.db2.gz FSLSAIXHQXEHGV-AWEZNQCLSA-N -1 3 304.346 0.902 10 0 DCAEHM COCCC1(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CCC1 ZINC000365122092 292286521 /nfs/dbraw/zinc/28/65/21/292286521.db2.gz QMMHFTLZDNUOCN-HNNXBMFYSA-N -1 3 309.366 0.394 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](CO)C(C)C ZINC000092407424 158113615 /nfs/dbraw/zinc/11/36/15/158113615.db2.gz XJTSTRWZZVGWAR-JTQLQIEISA-N -1 3 319.379 0.978 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC1(O)CCC1 ZINC000127585298 158273932 /nfs/dbraw/zinc/27/39/32/158273932.db2.gz JSXTWABFWHJUIJ-UHFFFAOYSA-N -1 3 317.363 0.876 10 0 DCAEHM CN1CC[C@H](NCc2nn(C)c(=O)[n-]2)[C@H]1c1ccc(F)c(F)c1 ZINC000329785062 159119481 /nfs/dbraw/zinc/11/94/81/159119481.db2.gz PTIRJJKQVYKTPB-GXTWGEPZSA-N -1 3 323.347 0.922 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)c1 ZINC000330460061 159176606 /nfs/dbraw/zinc/17/66/06/159176606.db2.gz JSQHEACDCJETEC-SSDOTTSWSA-N -1 3 301.290 0.495 10 0 DCAEHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F ZINC000350016907 159242946 /nfs/dbraw/zinc/24/29/46/159242946.db2.gz SOQYRPXJZQMJNT-QMMMGPOBSA-N -1 3 315.317 0.629 10 0 DCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CC[C@H](C)C1 ZINC000407982368 160002533 /nfs/dbraw/zinc/00/25/33/160002533.db2.gz YDHUYXOIIHPWQK-WPRPVWTQSA-N -1 3 315.395 0.827 10 0 DCAEHM CC[C@H]1CN(C(=O)c2cncc([O-])c2)C[C@H]1N1CCOCC1 ZINC000408004150 160008593 /nfs/dbraw/zinc/00/85/93/160008593.db2.gz KOSNLSLUIBWYMW-SWLSCSKDSA-N -1 3 305.378 0.970 10 0 DCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000408279197 160074972 /nfs/dbraw/zinc/07/49/72/160074972.db2.gz IEACFGDREDTWJH-MRXNPFEDSA-N -1 3 320.345 0.982 10 0 DCAEHM C[C@@H]1CCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C[C@@H]1O ZINC000408348151 160089543 /nfs/dbraw/zinc/08/95/43/160089543.db2.gz FADIMUCRUCDXJV-RQJHMYQMSA-N -1 3 307.276 0.736 10 0 DCAEHM C[C@@H]1CCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C[C@@H]1O ZINC000408348151 160089546 /nfs/dbraw/zinc/08/95/46/160089546.db2.gz FADIMUCRUCDXJV-RQJHMYQMSA-N -1 3 307.276 0.736 10 0 DCAEHM C[C@@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@@H]1O ZINC000408348151 160089548 /nfs/dbraw/zinc/08/95/48/160089548.db2.gz FADIMUCRUCDXJV-RQJHMYQMSA-N -1 3 307.276 0.736 10 0 DCAEHM C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182549244 416226421 /nfs/dbraw/zinc/22/64/21/416226421.db2.gz CICFPBCWWREVFT-YPMHNXCESA-N -1 3 306.362 0.836 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)C[S@](C)=O ZINC000183206060 416238049 /nfs/dbraw/zinc/23/80/49/416238049.db2.gz ZMKAFJDPJXGRKZ-DDNLTXGXSA-N -1 3 313.832 0.427 10 0 DCAEHM C[C@@H]1COCC[C@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000192787065 416311029 /nfs/dbraw/zinc/31/10/29/416311029.db2.gz HZTYJEHAIDEUKR-BXUZGUMPSA-N -1 3 306.362 0.911 10 0 DCAEHM C[C@@H]1COCC[C@@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000192787035 416311620 /nfs/dbraw/zinc/31/16/20/416311620.db2.gz HZTYJEHAIDEUKR-RISCZKNCSA-N -1 3 306.362 0.911 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436821587 416572101 /nfs/dbraw/zinc/57/21/01/416572101.db2.gz LSSYMGMKYMKNDN-WDEREUQCSA-N -1 3 322.361 0.887 10 0 DCAEHM COC(=O)C(C)(C)N1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000436822829 416572784 /nfs/dbraw/zinc/57/27/84/416572784.db2.gz QXRAEGFPUQPGTQ-UHFFFAOYSA-N -1 3 322.361 0.807 10 0 DCAEHM CCOc1nc2cc(C(=O)N(C)Cc3nnnn3C)ccc2[n-]1 ZINC000450106416 417200977 /nfs/dbraw/zinc/20/09/77/417200977.db2.gz SUDVLBRSWQVWDW-UHFFFAOYSA-N -1 3 315.337 0.757 10 0 DCAEHM CCOc1nc2ccc(C(=O)N(C)Cc3nnnn3C)cc2[n-]1 ZINC000450106416 417200984 /nfs/dbraw/zinc/20/09/84/417200984.db2.gz SUDVLBRSWQVWDW-UHFFFAOYSA-N -1 3 315.337 0.757 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccco1 ZINC000643771374 417343573 /nfs/dbraw/zinc/34/35/73/417343573.db2.gz QESLMJZIJUWGTF-TUAOUCFPSA-N -1 3 300.380 0.546 10 0 DCAEHM CC[C@@H](O)CN1CCN(C(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000179484894 261112979 /nfs/dbraw/zinc/11/29/79/261112979.db2.gz REFBVZBSPVFMHA-RDFMZFSFSA-N -1 3 305.378 0.716 10 0 DCAEHM COC[C@@](C)([N-]S(=O)(=O)c1ccnn1C)C(F)(F)F ZINC000358798839 271074712 /nfs/dbraw/zinc/07/47/12/271074712.db2.gz LFHLMGCUVFZPGN-MRVPVSSYSA-N -1 3 301.290 0.666 10 0 DCAEHM CC(C)(C)NS(=O)(=O)CCNC(=O)c1cccc([O-])c1 ZINC000542819834 287948815 /nfs/dbraw/zinc/94/88/15/287948815.db2.gz FUDJXHWQXUXWNR-UHFFFAOYSA-N -1 3 300.380 0.840 10 0 DCAEHM C[C@@H]1CCCN1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1 ZINC000546025359 288012754 /nfs/dbraw/zinc/01/27/54/288012754.db2.gz WPHVMKXAJYDLGU-ZCFIWIBFSA-N -1 3 314.289 0.907 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCSC[C@@H]1c1ccccc1 ZINC000271405282 295540965 /nfs/dbraw/zinc/54/09/65/295540965.db2.gz ISODMDJRMSCIGY-NWDGAFQWSA-N -1 3 319.386 0.901 10 0 DCAEHM COCCN1CCCN(C(=O)c2cccc3[n-]nnc32)CC1=O ZINC000189309665 333070620 /nfs/dbraw/zinc/07/06/20/333070620.db2.gz OGOBTSJOYLVBJQ-UHFFFAOYSA-N -1 3 317.349 0.279 10 0 DCAEHM COCCN1CCCN(C(=O)c2cccc3nn[n-]c32)CC1=O ZINC000189309665 333070621 /nfs/dbraw/zinc/07/06/21/333070621.db2.gz OGOBTSJOYLVBJQ-UHFFFAOYSA-N -1 3 317.349 0.279 10 0 DCAEHM COCCN1CCCN(C(=O)c2cccc3n[n-]nc32)CC1=O ZINC000189309665 333070623 /nfs/dbraw/zinc/07/06/23/333070623.db2.gz OGOBTSJOYLVBJQ-UHFFFAOYSA-N -1 3 317.349 0.279 10 0 DCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)[C@H](C)CO)c([O-])c1 ZINC000126849008 526160370 /nfs/dbraw/zinc/16/03/70/526160370.db2.gz FTMQDYCGNWGSIH-NEPJUHHUSA-N -1 3 308.378 0.954 10 0 DCAEHM Cc1nc([C@H]2CN(CCC[N-]C(=O)C(F)(F)F)CCO2)n[nH]1 ZINC000154856308 526536677 /nfs/dbraw/zinc/53/66/77/526536677.db2.gz RLVVWFRGPUXTTA-SECBINFHSA-N -1 3 321.303 0.555 10 0 DCAEHM Cc1nnc([C@H]2CN(CCC[N-]C(=O)C(F)(F)F)CCO2)[nH]1 ZINC000154856308 526536680 /nfs/dbraw/zinc/53/66/80/526536680.db2.gz RLVVWFRGPUXTTA-SECBINFHSA-N -1 3 321.303 0.555 10 0 DCAEHM COc1ccc([O-])c(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000284604881 536818849 /nfs/dbraw/zinc/81/88/49/536818849.db2.gz SYMQKEOBZKBEDS-ZFWWWQNUSA-N -1 3 306.362 0.946 10 0 DCAEHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000712700154 670150766 /nfs/dbraw/zinc/15/07/66/670150766.db2.gz JEQSXFFCNIEXGM-JTQLQIEISA-N -1 3 301.368 0.651 10 0 DCAEHM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000713274818 670155138 /nfs/dbraw/zinc/15/51/38/670155138.db2.gz HWNSGTXUQMPVSD-YUTCNCBUSA-N -1 3 306.362 0.723 10 0 DCAEHM C[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)c1cn(C)nn1 ZINC000720548566 685314902 /nfs/dbraw/zinc/31/49/02/685314902.db2.gz RYUXYXZKEATGPD-ZCFIWIBFSA-N -1 3 304.763 0.242 10 0 DCAEHM CCOc1nnc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)[n-]1 ZINC000228770821 1180399311 /nfs/dbraw/zinc/39/93/11/1180399311.db2.gz XMYRRYUSKASMGK-JVXZTZIISA-N -1 3 311.367 0.596 10 0 DCAEHM CCOc1nc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)n[n-]1 ZINC000228770821 1180399319 /nfs/dbraw/zinc/39/93/19/1180399319.db2.gz XMYRRYUSKASMGK-JVXZTZIISA-N -1 3 311.367 0.596 10 0 DCAEHM CCOc1n[n-]c(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)n1 ZINC000228770821 1180399326 /nfs/dbraw/zinc/39/93/26/1180399326.db2.gz XMYRRYUSKASMGK-JVXZTZIISA-N -1 3 311.367 0.596 10 0 DCAEHM O=C(CCn1cccn1)NCCNC(=O)c1ccccc1[O-] ZINC000151812970 1180544879 /nfs/dbraw/zinc/54/48/79/1180544879.db2.gz NEMQJIUUCBXWQD-UHFFFAOYSA-N -1 3 302.334 0.525 10 0 DCAEHM CS(=O)(=O)CC1(CCNCc2cc(C(=O)[O-])no2)CC1 ZINC000692843096 976551087 /nfs/dbraw/zinc/55/10/87/976551087.db2.gz TYANYCALRBJHPI-UHFFFAOYSA-N -1 3 302.352 0.677 10 0 DCAEHM CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694208661 976680904 /nfs/dbraw/zinc/68/09/04/976680904.db2.gz IZCQUCXQSSHNOW-UHFFFAOYSA-N -1 3 304.368 0.988 10 0 DCAEHM CCC(C)(CC)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000088589583 185258915 /nfs/dbraw/zinc/25/89/15/185258915.db2.gz DVGIITDGQGBDGG-UHFFFAOYSA-N -1 3 302.400 0.393 10 0 DCAEHM CN1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCC1=O ZINC000286981247 219255824 /nfs/dbraw/zinc/25/58/24/219255824.db2.gz SHEWZSRYYRSWIJ-SSDOTTSWSA-N -1 3 321.761 0.773 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC(F)F ZINC000073156102 191285914 /nfs/dbraw/zinc/28/59/14/191285914.db2.gz TZAGBJUVFCIOAQ-ZETCQYMHSA-N -1 3 310.297 0.874 10 0 DCAEHM O=C(N[C@H]1CCC(=O)NC1=O)c1ccc2c(c1[O-])CCCC2 ZINC000183383921 237277090 /nfs/dbraw/zinc/27/70/90/237277090.db2.gz UPQXAZMGOWMMCR-LBPRGKRZSA-N -1 3 302.330 0.806 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(=O)[C@H](C)C2)cn1 ZINC000281442361 216302399 /nfs/dbraw/zinc/30/23/99/216302399.db2.gz CNZQGSLBXGPCAO-SECBINFHSA-N -1 3 311.363 0.041 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(=O)[C@H](C)C2)c(C)o1 ZINC000275310761 212264871 /nfs/dbraw/zinc/26/48/71/212264871.db2.gz YNKWUBSHCFNJBB-MRVPVSSYSA-N -1 3 314.363 0.547 10 0 DCAEHM CCN(CC)[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccco1 ZINC000067275437 184458576 /nfs/dbraw/zinc/45/85/76/184458576.db2.gz XWFVQXJQWSNTPJ-WDEREUQCSA-N -1 3 322.365 0.377 10 0 DCAEHM CC1(C)C[C@@H]1NC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000334137398 252795044 /nfs/dbraw/zinc/79/50/44/252795044.db2.gz ZKXGJGZNQFIGEZ-YHAQOWFVSA-N -1 3 308.382 0.947 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000120542492 195186203 /nfs/dbraw/zinc/18/62/03/195186203.db2.gz CKAWDEWIVSGPEN-CYBMUJFWSA-N -1 3 304.346 0.856 10 0 DCAEHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000012929713 395688220 /nfs/dbraw/zinc/68/82/20/395688220.db2.gz PMAFFBGGGMYKCU-ZETCQYMHSA-N -1 3 313.383 0.863 10 0 DCAEHM COC(=O)[C@@H]1C[C@H](Oc2ccc(Cc3nnn[n-]3)cc2)CN1 ZINC000034151150 395717490 /nfs/dbraw/zinc/71/74/90/395717490.db2.gz AIBQBVNEGVBKOQ-RYUDHWBXSA-N -1 3 303.322 0.073 10 0 DCAEHM COC(=O)[C@@H]1C[C@H](Oc2ccc(Cc3nn[n-]n3)cc2)CN1 ZINC000034151150 395717492 /nfs/dbraw/zinc/71/74/92/395717492.db2.gz AIBQBVNEGVBKOQ-RYUDHWBXSA-N -1 3 303.322 0.073 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCCN1CCc2ccccc21 ZINC000111559571 395809463 /nfs/dbraw/zinc/80/94/63/395809463.db2.gz ANEWLNOJACTRCN-UHFFFAOYSA-N -1 3 316.361 0.107 10 0 DCAEHM CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)[O-])ccn1 ZINC000222072304 395851324 /nfs/dbraw/zinc/85/13/24/395851324.db2.gz RGGMVQDDHDCRDM-UHFFFAOYSA-N -1 3 308.382 0.280 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000126033298 395909077 /nfs/dbraw/zinc/90/90/77/395909077.db2.gz SNLQHWAALAXPMZ-CYBMUJFWSA-N -1 3 316.361 0.641 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@H](c2nccs2)C1 ZINC000155959903 396060309 /nfs/dbraw/zinc/06/03/09/396060309.db2.gz ADTVIZLOUVGDQF-IUCAKERBSA-N -1 3 308.363 0.447 10 0 DCAEHM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000185183031 396321264 /nfs/dbraw/zinc/32/12/64/396321264.db2.gz KJDFMWSKUTZHCP-SECBINFHSA-N -1 3 324.761 0.173 10 0 DCAEHM COc1ccc([O-])c(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000285907616 396361395 /nfs/dbraw/zinc/36/13/95/396361395.db2.gz TWLUHKCIMHISJQ-DZGCQCFKSA-N -1 3 306.362 0.946 10 0 DCAEHM C[C@H]1OCCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@@H]1C(N)=O ZINC000285600835 396351426 /nfs/dbraw/zinc/35/14/26/396351426.db2.gz UKSOFZUGAIQJPI-YGRLFVJLSA-N -1 3 318.373 0.986 10 0 DCAEHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000630575420 397049962 /nfs/dbraw/zinc/04/99/62/397049962.db2.gz ZHNCDNKGBQXCNR-KBPBESRZSA-N -1 3 307.394 0.767 10 0 DCAEHM O=C(c1cnc(C2CC2)s1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000578959547 397504910 /nfs/dbraw/zinc/50/49/10/397504910.db2.gz HYAFTCOOYMWBCL-AWEZNQCLSA-N -1 3 320.374 0.835 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H](O)C1 ZINC000132678556 158312872 /nfs/dbraw/zinc/31/28/72/158312872.db2.gz GHNWNVQXABOAGY-YPMHNXCESA-N -1 3 304.346 0.590 10 0 DCAEHM CN(C)c1nc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)cc(=O)[n-]1 ZINC000328745547 159025688 /nfs/dbraw/zinc/02/56/88/159025688.db2.gz KZCBQEGCTRUQJC-SNVBAGLBSA-N -1 3 302.338 0.949 10 0 DCAEHM C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cn(C)c(=O)[n-]c2=O)C1 ZINC000408221722 160062854 /nfs/dbraw/zinc/06/28/54/160062854.db2.gz KPNIGIUGXGRNRK-QFYYESIMSA-N -1 3 323.393 0.793 10 0 DCAEHM COc1cccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1[O-] ZINC000105569937 415631688 /nfs/dbraw/zinc/63/16/88/415631688.db2.gz OUGZATYPZPQOPS-GFCCVEGCSA-N -1 3 306.362 0.948 10 0 DCAEHM CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)[C@H]2CCO[C@H](C)C2)C1=O ZINC000333412399 415640109 /nfs/dbraw/zinc/64/01/09/415640109.db2.gz KINORZOUAWFCRB-OUAUKWLOSA-N -1 3 318.395 0.009 10 0 DCAEHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000115721024 415727675 /nfs/dbraw/zinc/72/76/75/415727675.db2.gz XPNKZHOBJHREIL-DGCLKSJQSA-N -1 3 301.346 0.943 10 0 DCAEHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000120659615 415780547 /nfs/dbraw/zinc/78/05/47/415780547.db2.gz CTFRUUYRLJKDLV-JFUSQASVSA-N -1 3 302.334 0.967 10 0 DCAEHM C[C@@H]1C[C@H]1NC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000120836049 415786940 /nfs/dbraw/zinc/78/69/40/415786940.db2.gz YCQQGMHNGSSGRB-RKDXNWHRSA-N -1 3 303.409 0.734 10 0 DCAEHM COc1nnc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)[n-]1 ZINC000133100037 415942000 /nfs/dbraw/zinc/94/20/00/415942000.db2.gz QGVBUOGSUOIVEG-UHFFFAOYSA-N -1 3 303.322 0.799 10 0 DCAEHM COc1nc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)n[n-]1 ZINC000133100037 415942003 /nfs/dbraw/zinc/94/20/03/415942003.db2.gz QGVBUOGSUOIVEG-UHFFFAOYSA-N -1 3 303.322 0.799 10 0 DCAEHM COc1n[n-]c(NC(=O)CNC(=O)c2cc(C)cc(C)c2)n1 ZINC000133100037 415942006 /nfs/dbraw/zinc/94/20/06/415942006.db2.gz QGVBUOGSUOIVEG-UHFFFAOYSA-N -1 3 303.322 0.799 10 0 DCAEHM CCc1ccc(CCNC(=O)C2CC3(C2)NC(=O)[N-]C3=O)cc1 ZINC000158727665 416001447 /nfs/dbraw/zinc/00/14/47/416001447.db2.gz ANGGMJJGDXEVKC-UHFFFAOYSA-N -1 3 315.373 0.896 10 0 DCAEHM O=C(N[C@H]1CCCn2ncnc21)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000176135058 416120780 /nfs/dbraw/zinc/12/07/80/416120780.db2.gz MLDPHWMQHLRVRS-NSHDSACASA-N -1 3 311.301 0.427 10 0 DCAEHM O=C(/C=C/c1cncc([O-])c1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000179500353 416188165 /nfs/dbraw/zinc/18/81/65/416188165.db2.gz MXIGRHZQBDOCRC-NTHKTCTLSA-N -1 3 303.362 0.780 10 0 DCAEHM COc1ccc(F)cc1CNC(=O)C(=O)[N-]c1cnns1 ZINC000192076136 416298904 /nfs/dbraw/zinc/29/89/04/416298904.db2.gz IKKASOBZTGDWKN-UHFFFAOYSA-N -1 3 310.310 0.941 10 0 DCAEHM O=C(NCc1nnc(C(F)(F)F)[n-]1)NC[C@H](O)C(F)(F)F ZINC000361708152 416480512 /nfs/dbraw/zinc/48/05/12/416480512.db2.gz XMDHUSWXDWSSOY-VKHMYHEASA-N -1 3 321.181 0.546 10 0 DCAEHM O=C(NCc1n[n-]c(C(F)(F)F)n1)NC[C@H](O)C(F)(F)F ZINC000361708152 416480518 /nfs/dbraw/zinc/48/05/18/416480518.db2.gz XMDHUSWXDWSSOY-VKHMYHEASA-N -1 3 321.181 0.546 10 0 DCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC[C@H](O)C(F)(F)F ZINC000361708152 416480524 /nfs/dbraw/zinc/48/05/24/416480524.db2.gz XMDHUSWXDWSSOY-VKHMYHEASA-N -1 3 321.181 0.546 10 0 DCAEHM NC(=O)c1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)o1 ZINC000438189501 416596304 /nfs/dbraw/zinc/59/63/04/416596304.db2.gz TWFLAPUKESARHF-UHFFFAOYSA-N -1 3 312.289 0.735 10 0 DCAEHM NC(=O)c1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)o1 ZINC000438189501 416596305 /nfs/dbraw/zinc/59/63/05/416596305.db2.gz TWFLAPUKESARHF-UHFFFAOYSA-N -1 3 312.289 0.735 10 0 DCAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cnc2n[nH]nc2c1 ZINC000544558052 416657859 /nfs/dbraw/zinc/65/78/59/416657859.db2.gz LVGJVAMZJFXADG-UHFFFAOYSA-N -1 3 321.304 0.709 10 0 DCAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cnc2n[nH]nc2c1 ZINC000544558052 416657864 /nfs/dbraw/zinc/65/78/64/416657864.db2.gz LVGJVAMZJFXADG-UHFFFAOYSA-N -1 3 321.304 0.709 10 0 DCAEHM CCO[C@@H]1C[C@]([N-]S(=O)(=O)NC(C)C)(C(=O)OC)C1(C)C ZINC000444280438 416825766 /nfs/dbraw/zinc/82/57/66/416825766.db2.gz HUWRCHJTJJUZSE-MFKMUULPSA-N -1 3 322.427 0.566 10 0 DCAEHM CC(=O)c1ccc(C(=O)N[C@H](CO)c2ccnn2C)cc1[O-] ZINC000616229068 416992941 /nfs/dbraw/zinc/99/29/41/416992941.db2.gz DKFNRSFFKDWGOJ-GFCCVEGCSA-N -1 3 303.318 0.792 10 0 DCAEHM C[C@@](O)(Cn1ccccc1=O)C(=O)[N-]c1nncn1C1CC1 ZINC000580590502 417717802 /nfs/dbraw/zinc/71/78/02/417717802.db2.gz DWKDTRPSNFSJNL-CQSZACIVSA-N -1 3 303.322 0.164 10 0 DCAEHM Cn1cc(C(=O)NC[C@@]2(O)CCCC(C)(C)C2)c(=O)[n-]c1=O ZINC000408417503 294219160 /nfs/dbraw/zinc/21/91/60/294219160.db2.gz RUDMVDQSVONNTI-OAHLLOKOSA-N -1 3 309.366 0.547 10 0 DCAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1CCC(=O)NC1 ZINC000532673462 518200812 /nfs/dbraw/zinc/20/08/12/518200812.db2.gz NRPWPDMSNKQEEM-JTQLQIEISA-N -1 3 300.322 0.255 10 0 DCAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1CCC(=O)NC1 ZINC000532673462 518200813 /nfs/dbraw/zinc/20/08/13/518200813.db2.gz NRPWPDMSNKQEEM-JTQLQIEISA-N -1 3 300.322 0.255 10 0 DCAEHM CCn1ncc2ccc(NC(=O)CN3CC(=O)[N-]C3=O)cc21 ZINC000111585226 523699954 /nfs/dbraw/zinc/69/99/54/523699954.db2.gz IWCAPKCZZAVXOE-UHFFFAOYSA-N -1 3 301.306 0.547 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCc2cc(Cl)ccc2C1 ZINC000191485866 527137402 /nfs/dbraw/zinc/13/74/02/527137402.db2.gz AOXCUNBQTIARTL-NSHDSACASA-N -1 3 307.737 0.823 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCC1(c2cccc(F)c2)CC1 ZINC000156258040 527137861 /nfs/dbraw/zinc/13/78/61/527137861.db2.gz NTLDUPJWNPZIST-NSHDSACASA-N -1 3 305.309 0.572 10 0 DCAEHM O=S(=O)([N-]C[C@@H]1CNCCO1)c1ccc(F)c(F)c1F ZINC000157390098 527224940 /nfs/dbraw/zinc/22/49/40/527224940.db2.gz OPFALFUVTYMXQC-ZETCQYMHSA-N -1 3 310.297 0.371 10 0 DCAEHM CN1C[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1=O ZINC000723350825 658641817 /nfs/dbraw/zinc/64/18/17/658641817.db2.gz FZBSNXAVIVDZMO-SSDOTTSWSA-N -1 3 321.761 0.631 10 0 DCAEHM CN1CCOC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000700239117 666696178 /nfs/dbraw/zinc/69/61/78/666696178.db2.gz VMYHQYLEZXMUSU-MRVPVSSYSA-N -1 3 323.777 0.483 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000702362563 666946133 /nfs/dbraw/zinc/94/61/33/666946133.db2.gz DWOFUSFZWOFOOU-WMLDXEAASA-N -1 3 319.405 0.769 10 0 DCAEHM Cc1ccc(C(=O)NC(C)(C)CNS(C)(=O)=O)c([O-])c1 ZINC000708261853 667442488 /nfs/dbraw/zinc/44/24/88/667442488.db2.gz DXYRKJMRFZFSQD-UHFFFAOYSA-N -1 3 300.380 0.758 10 0 DCAEHM Cn1ncnc1N1CC[C@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000828909925 668140494 /nfs/dbraw/zinc/14/04/94/668140494.db2.gz OTZZSOXSDHAWPF-NSHDSACASA-N -1 3 315.381 0.905 10 0 DCAEHM COc1ncc(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)s1 ZINC000396699368 685271353 /nfs/dbraw/zinc/27/13/53/685271353.db2.gz HPJZKTHQTNWULK-ZETCQYMHSA-N -1 3 305.381 0.099 10 0 DCAEHM C[S@](=O)C1(C[N-]S(=O)(=O)c2cccnc2F)CCC1 ZINC000401912174 774071177 /nfs/dbraw/zinc/07/11/77/774071177.db2.gz UMERURAMFOGJAF-SFHVURJKSA-N -1 3 306.384 0.800 10 0 DCAEHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)c1 ZINC000181399383 199290688 /nfs/dbraw/zinc/29/06/88/199290688.db2.gz CJHGIYJMAGPSGO-CYBMUJFWSA-N -1 3 317.411 0.531 10 0 DCAEHM Cn1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc(Cl)c1=O ZINC000177885232 186199032 /nfs/dbraw/zinc/19/90/32/186199032.db2.gz WEVYPUJIYPZOCR-VIFPVBQESA-N -1 3 306.771 0.959 10 0 DCAEHM CCc1nnc([C@@H]2CN(C(=O)c3cncc([O-])c3)CCO2)[nH]1 ZINC000173756701 198248561 /nfs/dbraw/zinc/24/85/61/198248561.db2.gz NBSBFYAPKYEOPH-NSHDSACASA-N -1 3 303.322 0.681 10 0 DCAEHM CCc1nc([C@@H]2CN(C(=O)c3cncc([O-])c3)CCO2)n[nH]1 ZINC000173756701 198248563 /nfs/dbraw/zinc/24/85/63/198248563.db2.gz NBSBFYAPKYEOPH-NSHDSACASA-N -1 3 303.322 0.681 10 0 DCAEHM CCNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)N(C)C ZINC000266049636 205056670 /nfs/dbraw/zinc/05/66/70/205056670.db2.gz REUWHZNWXBKSLT-UHFFFAOYSA-N -1 3 307.397 0.203 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(Cc1ccco1)Cc1ccco1 ZINC000056732126 184018178 /nfs/dbraw/zinc/01/81/78/184018178.db2.gz HUDQMYADPQWQNP-LBPRGKRZSA-N -1 3 317.301 1.000 10 0 DCAEHM COc1cccc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1[O-] ZINC000284495847 131085875 /nfs/dbraw/zinc/08/58/75/131085875.db2.gz NGCVLLKIUXJQPO-CHWSQXEVSA-N -1 3 306.362 0.946 10 0 DCAEHM O=C1[N-]C(=O)[C@]2(CCN(S(=O)(=O)CC3CCCCC3)C2)N1 ZINC000084796542 395699319 /nfs/dbraw/zinc/69/93/19/395699319.db2.gz JCVHPKJYUYETAP-CYBMUJFWSA-N -1 3 315.395 0.180 10 0 DCAEHM CC[C@@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)c1nccs1 ZINC000193938977 395782770 /nfs/dbraw/zinc/78/27/70/395782770.db2.gz BSYWSFIBVGBGDD-RKDXNWHRSA-N -1 3 305.425 0.990 10 0 DCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCC2(C)CCC2)c1 ZINC000151827873 395994252 /nfs/dbraw/zinc/99/42/52/395994252.db2.gz UXOMYMWNXZOUIB-UHFFFAOYSA-N -1 3 300.384 0.005 10 0 DCAEHM CN1CCO[C@@H](CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000171287890 396112692 /nfs/dbraw/zinc/11/26/92/396112692.db2.gz OFXAMJZWKUDFHM-NSHDSACASA-N -1 3 301.346 0.589 10 0 DCAEHM Cc1ccc([C@@H](CNC(=O)c2c[n-]nn2)N2CCOCC2)s1 ZINC000176574365 396157566 /nfs/dbraw/zinc/15/75/66/396157566.db2.gz XOEUFLJXEBEMNA-GFCCVEGCSA-N -1 3 321.406 0.978 10 0 DCAEHM Cc1ccc([C@@H](CNC(=O)c2cnn[n-]2)N2CCOCC2)s1 ZINC000176574365 396157569 /nfs/dbraw/zinc/15/75/69/396157569.db2.gz XOEUFLJXEBEMNA-GFCCVEGCSA-N -1 3 321.406 0.978 10 0 DCAEHM Cc1ccc([C@@H](CNC(=O)c2cn[n-]n2)N2CCOCC2)s1 ZINC000176574365 396157571 /nfs/dbraw/zinc/15/75/71/396157571.db2.gz XOEUFLJXEBEMNA-GFCCVEGCSA-N -1 3 321.406 0.978 10 0 DCAEHM CC(C)[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(N)=O ZINC000279396183 396171897 /nfs/dbraw/zinc/17/18/97/396171897.db2.gz ZELAKUZYJLNTHZ-QMMMGPOBSA-N -1 3 309.750 0.662 10 0 DCAEHM COc1nnc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)[n-]1 ZINC000182986906 396258153 /nfs/dbraw/zinc/25/81/53/396258153.db2.gz ALTVVCZHCXMKAE-RFZPGFLSSA-N -1 3 307.232 0.209 10 0 DCAEHM COc1nc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)n[n-]1 ZINC000182986906 396258156 /nfs/dbraw/zinc/25/81/56/396258156.db2.gz ALTVVCZHCXMKAE-RFZPGFLSSA-N -1 3 307.232 0.209 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)n1 ZINC000182986906 396258158 /nfs/dbraw/zinc/25/81/58/396258158.db2.gz ALTVVCZHCXMKAE-RFZPGFLSSA-N -1 3 307.232 0.209 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccn(Cc2ccccc2)n1 ZINC000179155942 396222699 /nfs/dbraw/zinc/22/26/99/396222699.db2.gz MDNFYURFAYVSON-NSHDSACASA-N -1 3 313.317 0.468 10 0 DCAEHM COc1cccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1[O-] ZINC000286129439 396376493 /nfs/dbraw/zinc/37/64/93/396376493.db2.gz FYNKWTCBJRAFIH-MNOVXSKESA-N -1 3 305.334 0.639 10 0 DCAEHM CCCN(CC(=O)[O-])C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000630571012 397048228 /nfs/dbraw/zinc/04/82/28/397048228.db2.gz HFFVQKXBFNGVJU-AWEZNQCLSA-N -1 3 307.394 0.769 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000630571331 397048842 /nfs/dbraw/zinc/04/88/42/397048842.db2.gz MCRLCBLOJVSLSJ-ZIAGYGMSSA-N -1 3 305.378 0.521 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000630573960 397050141 /nfs/dbraw/zinc/05/01/41/397050141.db2.gz LXPKZXPENORJAF-HNNXBMFYSA-N -1 3 319.405 0.769 10 0 DCAEHM CC(C)[C@@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)C(=O)[O-] ZINC000630574924 397050513 /nfs/dbraw/zinc/05/05/13/397050513.db2.gz UXKZETKMOCDCTR-CABCVRRESA-N -1 3 321.421 0.919 10 0 DCAEHM CNC(=O)[C@@]1(COC)CCCN1C(=O)Cc1cncc([O-])c1 ZINC000606444929 397681629 /nfs/dbraw/zinc/68/16/29/397681629.db2.gz HKGDZRPSLUSWJZ-HNNXBMFYSA-N -1 3 307.350 0.083 10 0 DCAEHM C[C@H](O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127529009 158274031 /nfs/dbraw/zinc/27/40/31/158274031.db2.gz LSIDRSBYQJIVPO-AAEUAGOBSA-N -1 3 306.362 0.884 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1csc(-c2ccco2)n1 ZINC000132194981 158308968 /nfs/dbraw/zinc/30/89/68/158308968.db2.gz VWDWBIVDUHMZFI-UHFFFAOYSA-N -1 3 320.330 0.571 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(Cc2cccs2)CC1 ZINC000328639959 159016703 /nfs/dbraw/zinc/01/67/03/159016703.db2.gz DXBJDIKTEUASIJ-UHFFFAOYSA-N -1 3 322.390 0.784 10 0 DCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCN(C2CC2)C(=O)C1 ZINC000328640305 159017088 /nfs/dbraw/zinc/01/70/88/159017088.db2.gz CLVLXMQUQJDUKJ-UHFFFAOYSA-N -1 3 303.297 0.544 10 0 DCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCN(C2CC2)C(=O)C1 ZINC000328640305 159017090 /nfs/dbraw/zinc/01/70/90/159017090.db2.gz CLVLXMQUQJDUKJ-UHFFFAOYSA-N -1 3 303.297 0.544 10 0 DCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCN(C2CC2)C(=O)C1 ZINC000328640305 159017092 /nfs/dbraw/zinc/01/70/92/159017092.db2.gz CLVLXMQUQJDUKJ-UHFFFAOYSA-N -1 3 303.297 0.544 10 0 DCAEHM O=C(C[C@@H]1CCCCNC1=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329273211 159078363 /nfs/dbraw/zinc/07/83/63/159078363.db2.gz IWXJAFGWIANOMA-VHSXEESVSA-N -1 3 308.338 0.736 10 0 DCAEHM CC(C)[C@@H]1N(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C[C@@]12CCCO2 ZINC000329335340 159083040 /nfs/dbraw/zinc/08/30/40/159083040.db2.gz OLWHZDKWJFIADS-HZMBPMFUSA-N -1 3 308.338 0.500 10 0 DCAEHM Cn1cc(C(=O)NC[C@]2(O)CCCC(C)(C)C2)c(=O)[n-]c1=O ZINC000408417502 160103712 /nfs/dbraw/zinc/10/37/12/160103712.db2.gz RUDMVDQSVONNTI-HNNXBMFYSA-N -1 3 309.366 0.547 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(Br)cc1 ZINC000074728765 286917156 /nfs/dbraw/zinc/91/71/56/286917156.db2.gz DOUNIIZDTADFQG-QMMMGPOBSA-N -1 3 312.123 0.986 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1nc(-c2ccco2)cs1 ZINC000136056289 287025481 /nfs/dbraw/zinc/02/54/81/287025481.db2.gz IPBRRXAYKMHOTP-LURJTMIESA-N -1 3 306.303 0.940 10 0 DCAEHM CN(C)C[C@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCO1 ZINC000152999756 287046022 /nfs/dbraw/zinc/04/60/22/287046022.db2.gz WBMQEFGFDLHRFK-AWEZNQCLSA-N -1 3 317.393 0.735 10 0 DCAEHM CC(C)[C@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000025976956 415165105 /nfs/dbraw/zinc/16/51/05/415165105.db2.gz APGVANMZCWLTNG-ZETCQYMHSA-N -1 3 318.171 0.460 10 0 DCAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)Cc2ccccc2F)CCO1 ZINC000275584811 415374937 /nfs/dbraw/zinc/37/49/37/415374937.db2.gz HBWOEJLOCJPQNP-ZDUSSCGKSA-N -1 3 324.352 0.612 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)CCS1(=O)=O ZINC000278898891 415510586 /nfs/dbraw/zinc/51/05/86/415510586.db2.gz YFWZVUTZONYQFD-SSDOTTSWSA-N -1 3 312.326 0.356 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)CCS1(=O)=O ZINC000278898891 415510592 /nfs/dbraw/zinc/51/05/92/415510592.db2.gz YFWZVUTZONYQFD-SSDOTTSWSA-N -1 3 312.326 0.356 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)CCS1(=O)=O ZINC000278898891 415510602 /nfs/dbraw/zinc/51/06/02/415510602.db2.gz YFWZVUTZONYQFD-SSDOTTSWSA-N -1 3 312.326 0.356 10 0 DCAEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000333161236 415573066 /nfs/dbraw/zinc/57/30/66/415573066.db2.gz LZHLMOKJFCGMRU-NSHDSACASA-N -1 3 314.411 0.428 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N[C@@H]1CCCn3ncnc31)c2[O-] ZINC000119327825 415742744 /nfs/dbraw/zinc/74/27/44/415742744.db2.gz YLZKBSBPQVLXGS-SNVBAGLBSA-N -1 3 313.321 0.530 10 0 DCAEHM O=C(Nc1nc2c(s1)CCCC2)C1CC2(C1)NC(=O)[N-]C2=O ZINC000154682219 415991222 /nfs/dbraw/zinc/99/12/22/415991222.db2.gz CUUVDCDQIRDPLE-UHFFFAOYSA-N -1 3 320.374 0.949 10 0 DCAEHM CCCn1ccnc1CCCN(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000192256723 416303426 /nfs/dbraw/zinc/30/34/26/416303426.db2.gz YCDGWQUMXSEQFA-UHFFFAOYSA-N -1 3 321.381 0.236 10 0 DCAEHM COC[C@@H](CO)NC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000359683180 416353409 /nfs/dbraw/zinc/35/34/09/416353409.db2.gz YLMVQNYTVIEXGL-SECBINFHSA-N -1 3 306.318 0.274 10 0 DCAEHM CC1(C)CN(c2nc3nncc-3c(O)[n-]2)C[C@]2(CCOC2)O1 ZINC000360248783 416382171 /nfs/dbraw/zinc/38/21/71/416382171.db2.gz JQFYMYIPJGFGEC-AWEZNQCLSA-N -1 3 305.338 0.833 10 0 DCAEHM Cn1cc(OCC(=O)NCCNC(=O)c2ccc([O-])cc2)cn1 ZINC000436486446 416561072 /nfs/dbraw/zinc/56/10/72/416561072.db2.gz NIMMUGSGFNLYRB-UHFFFAOYSA-N -1 3 318.333 0.051 10 0 DCAEHM CC(C)(C)c1nc([N-][C@H]2CCN(C3CCOCC3)C2=O)no1 ZINC000364657474 416592337 /nfs/dbraw/zinc/59/23/37/416592337.db2.gz UVRYNEFIPPATAN-NSHDSACASA-N -1 3 308.382 1.559 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436717549 416567698 /nfs/dbraw/zinc/56/76/98/416567698.db2.gz HKXBKSZGZJTTPS-DTWKUNHWSA-N -1 3 324.333 0.284 10 0 DCAEHM CC(=O)N1CCc2c1cccc2NC(=O)CN1CC(=O)[N-]C1=O ZINC000545305363 416672785 /nfs/dbraw/zinc/67/27/85/416672785.db2.gz HZHLDGHIECJHFJ-UHFFFAOYSA-N -1 3 316.317 0.086 10 0 DCAEHM O=C(c1cnc2ccccn21)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000576662724 417628848 /nfs/dbraw/zinc/62/88/48/417628848.db2.gz VNKPPKNPBSATBP-OAHLLOKOSA-N -1 3 313.317 0.149 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000487375042 272041072 /nfs/dbraw/zinc/04/10/72/272041072.db2.gz YOTHPPYNZCEXQP-RKDXNWHRSA-N -1 3 318.351 0.014 10 0 DCAEHM NS(=O)(=O)c1cccc(-c2cncc(F)c2)c1-c1nnn[n-]1 ZINC000584596536 337374263 /nfs/dbraw/zinc/37/42/63/337374263.db2.gz JMRDKQDNBBFYOV-UHFFFAOYSA-N -1 3 320.309 0.715 10 0 DCAEHM CCn1ncc2ccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc21 ZINC000124265433 523701458 /nfs/dbraw/zinc/70/14/58/523701458.db2.gz JHPMIXKIHXWJPZ-JTQLQIEISA-N -1 3 301.306 0.593 10 0 DCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCc3ncnn3C2)s1 ZINC000176920550 526739340 /nfs/dbraw/zinc/73/93/40/526739340.db2.gz FPADYRXQTAEAMG-SECBINFHSA-N -1 3 313.408 0.645 10 0 DCAEHM Cc1ccc([O-])c(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 ZINC000123304580 545755436 /nfs/dbraw/zinc/75/54/36/545755436.db2.gz NRQPLSMORHWOKM-ZDUSSCGKSA-N -1 3 318.421 0.880 10 0 DCAEHM O=C([N-]CCCN1CCN(c2cccnn2)CC1)C(F)(F)F ZINC000180605028 665446828 /nfs/dbraw/zinc/44/68/28/665446828.db2.gz WWVYLCSGIFURPF-UHFFFAOYSA-N -1 3 317.315 0.667 10 0 DCAEHM COc1ncc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CO)s1 ZINC000311756343 659360098 /nfs/dbraw/zinc/36/00/98/659360098.db2.gz VTRZKKXLJYHIFS-DTWKUNHWSA-N -1 3 306.409 0.981 10 0 DCAEHM CC(C)[C@@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)N(C)C ZINC000732338968 664913541 /nfs/dbraw/zinc/91/35/41/664913541.db2.gz BGGVNAJCKMYQAW-GFCCVEGCSA-N -1 3 318.329 0.840 10 0 DCAEHM Cc1cnn(CC[N-]S(=O)(=O)c2c(C)nn(C)c2Cl)c1 ZINC000117927664 671261301 /nfs/dbraw/zinc/26/13/01/671261301.db2.gz MNYYGLADVKHCTP-UHFFFAOYSA-N -1 3 317.802 0.865 10 0 DCAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000111570786 671265740 /nfs/dbraw/zinc/26/57/40/671265740.db2.gz BHLCZROODRDBPR-NXEZZACHSA-N -1 3 314.345 0.649 10 0 DCAEHM C[C@@H]1COCC[C@@H]1C(=O)NCCNC(=O)c1ccccc1[O-] ZINC000192787748 1187963174 /nfs/dbraw/zinc/96/31/74/1187963174.db2.gz NWCGWXOFESZENS-NEPJUHHUSA-N -1 3 306.362 0.911 10 0 DCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000076669680 185031053 /nfs/dbraw/zinc/03/10/53/185031053.db2.gz MQWICHCJFHWZFJ-LBPRGKRZSA-N -1 3 316.427 0.118 10 0 DCAEHM CCc1cc(C(=O)[N-]c2ncn(CC(=O)NC)n2)oc1CC ZINC000163244916 529521399 /nfs/dbraw/zinc/52/13/99/529521399.db2.gz VNDSIDJJAPSQRM-UHFFFAOYSA-N -1 3 305.338 0.994 10 0 DCAEHM Cc1n[nH]c(C)c1CCC(=O)N1CCNC[C@H](CC(=O)[O-])C1 ZINC000071765492 191027922 /nfs/dbraw/zinc/02/79/22/191027922.db2.gz GHDWBUFBXNZPHT-LBPRGKRZSA-N -1 3 308.382 0.482 10 0 DCAEHM CCN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)c2ccccc21 ZINC000180127470 199120094 /nfs/dbraw/zinc/12/00/94/199120094.db2.gz LUKOIYLFXYDKRP-JTQLQIEISA-N -1 3 302.334 0.458 10 0 DCAEHM Cc1c(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cnn1-c1ccccc1 ZINC000161715963 291242837 /nfs/dbraw/zinc/24/28/37/291242837.db2.gz RXBONHSYHKUIDO-NSHDSACASA-N -1 3 313.317 0.717 10 0 DCAEHM C[C@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000282562132 217090135 /nfs/dbraw/zinc/09/01/35/217090135.db2.gz OINUZXWDIXTKMG-APPZFPTMSA-N -1 3 303.771 0.680 10 0 DCAEHM COCCS(=O)(=O)[N-]c1cccc(OCC(N)=S)c1 ZINC000042809350 183311131 /nfs/dbraw/zinc/31/11/31/183311131.db2.gz ANZWGLYHOOGXKZ-UHFFFAOYSA-N -1 3 304.393 0.740 10 0 DCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000035177069 395719308 /nfs/dbraw/zinc/71/93/08/395719308.db2.gz SAVCDSKUESOWES-DCAQKATOSA-N -1 3 308.400 0.128 10 0 DCAEHM CC[C@H](CO)[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000035610318 395721104 /nfs/dbraw/zinc/72/11/04/395721104.db2.gz NNDNLGFKRBVDTP-SECBINFHSA-N -1 3 305.352 0.732 10 0 DCAEHM C[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)N(C)c1ccccc1 ZINC000046951769 395783440 /nfs/dbraw/zinc/78/34/40/395783440.db2.gz RGYFBWKUELNSLR-JQWIXIFHSA-N -1 3 304.350 0.226 10 0 DCAEHM CC[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CCN1CCOC ZINC000108867457 395794347 /nfs/dbraw/zinc/79/43/47/395794347.db2.gz RIWXXDUGBQBNAW-AWEZNQCLSA-N -1 3 319.409 0.565 10 0 DCAEHM COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)[N-]Cc1ncc(C)o1 ZINC000234621934 395889911 /nfs/dbraw/zinc/88/99/11/395889911.db2.gz MHZNLRXKWHGIPY-VHSXEESVSA-N -1 3 302.352 0.744 10 0 DCAEHM CN(C)C[C@H](NC(=O)CC[C@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000052555285 395865060 /nfs/dbraw/zinc/86/50/60/395865060.db2.gz CIKAFPVUSHVLCT-OLZOCXBDSA-N -1 3 318.377 0.394 10 0 DCAEHM CN(C)C[C@H](NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000052555288 395865185 /nfs/dbraw/zinc/86/51/85/395865185.db2.gz CIKAFPVUSHVLCT-STQMWFEESA-N -1 3 318.377 0.394 10 0 DCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]CC(=O)N1CCc2ccccc21 ZINC000135562980 395941312 /nfs/dbraw/zinc/94/13/12/395941312.db2.gz GESUDJVIOIVXIV-SMDDNHRTSA-N -1 3 324.402 0.673 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCC1(Cc2ccccc2)CC1 ZINC000151469229 395986869 /nfs/dbraw/zinc/98/68/69/395986869.db2.gz CYOVKKQZFDITMT-UHFFFAOYSA-N -1 3 301.346 0.677 10 0 DCAEHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000248542911 395989695 /nfs/dbraw/zinc/98/96/95/395989695.db2.gz CTFRUUYRLJKDLV-FXAINCCUSA-N -1 3 302.334 0.967 10 0 DCAEHM O=C1CN(Cc2nc(-c3ccc4c(c3)CCO4)no2)C(=O)[N-]1 ZINC000154897179 396044751 /nfs/dbraw/zinc/04/47/51/396044751.db2.gz QRDJLOBKPRBAIV-UHFFFAOYSA-N -1 3 300.274 0.723 10 0 DCAEHM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000155630774 396055924 /nfs/dbraw/zinc/05/59/24/396055924.db2.gz PUGLVSITOVZDPT-WDEREUQCSA-N -1 3 319.365 0.299 10 0 DCAEHM Cc1ccc(CCNC(=O)C2CC3(C2)NC(=O)[N-]C3=O)c(C)c1 ZINC000155844116 396058612 /nfs/dbraw/zinc/05/86/12/396058612.db2.gz UVDQWSPSAKDLID-UHFFFAOYSA-N -1 3 315.373 0.950 10 0 DCAEHM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CNC)c1 ZINC000262662952 396170161 /nfs/dbraw/zinc/17/01/61/396170161.db2.gz NJHFFTVMMOGPFU-UHFFFAOYSA-N -1 3 315.395 0.581 10 0 DCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-]CCCn2ccnn2)c1 ZINC000183162564 396263606 /nfs/dbraw/zinc/26/36/06/396263606.db2.gz NDVJYIDZNGPAHX-UHFFFAOYSA-N -1 3 312.399 0.499 10 0 DCAEHM CCn1c2ccc(F)cc2nc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000184092663 396285425 /nfs/dbraw/zinc/28/54/25/396285425.db2.gz MWNZUQRAOXDVRW-UHFFFAOYSA-N -1 3 319.296 0.686 10 0 DCAEHM CNC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCO1 ZINC000184579716 396299937 /nfs/dbraw/zinc/29/99/37/396299937.db2.gz NYFRHRHYUHTOCA-AWEZNQCLSA-N -1 3 318.373 0.858 10 0 DCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CNCC[C@@H]2C)o1 ZINC000193409196 396450763 /nfs/dbraw/zinc/45/07/63/396450763.db2.gz LELOLZDVSQSZRR-UWVGGRQHSA-N -1 3 316.379 0.733 10 0 DCAEHM Cc1ccc([O-])c(CN2CCC3(CC2)NC(=O)N(C)C3=O)n1 ZINC000289437717 396460154 /nfs/dbraw/zinc/46/01/54/396460154.db2.gz LOAGBSSIMCZKFU-UHFFFAOYSA-N -1 3 304.350 0.612 10 0 DCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CO)C1CCC1 ZINC000594800928 396517568 /nfs/dbraw/zinc/51/75/68/396517568.db2.gz JYUQKBZFHJKFSG-VIFPVBQESA-N -1 3 319.404 0.974 10 0 DCAEHM CCC[C@H](NC(=O)[C@H](N)CN(C)Cc1ccccc1)C(=O)[O-] ZINC000630571680 397048209 /nfs/dbraw/zinc/04/82/09/397048209.db2.gz RISOLYCYDZDMMZ-KGLIPLIRSA-N -1 3 307.394 0.815 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000630573962 397049756 /nfs/dbraw/zinc/04/97/56/397049756.db2.gz LXPKZXPENORJAF-OAHLLOKOSA-N -1 3 319.405 0.769 10 0 DCAEHM CC(C)[C@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)C(=O)[O-] ZINC000630574926 397050708 /nfs/dbraw/zinc/05/07/08/397050708.db2.gz UXKZETKMOCDCTR-GJZGRUSLSA-N -1 3 321.421 0.919 10 0 DCAEHM CC(=O)N(C)c1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000599320453 397404353 /nfs/dbraw/zinc/40/43/53/397404353.db2.gz XRMJVUWPRGWQAR-UHFFFAOYSA-N -1 3 304.306 0.160 10 0 DCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)COCc1nc(C)no1 ZINC000610207875 397805724 /nfs/dbraw/zinc/80/57/24/397805724.db2.gz PWBYRSWJZFALAE-UHFFFAOYSA-N -1 3 323.309 0.742 10 0 DCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)COCc1nc(C)no1 ZINC000610207875 397805730 /nfs/dbraw/zinc/80/57/30/397805730.db2.gz PWBYRSWJZFALAE-UHFFFAOYSA-N -1 3 323.309 0.742 10 0 DCAEHM CSc1ccc(C(=O)N2CC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000083856314 158089148 /nfs/dbraw/zinc/08/91/48/158089148.db2.gz VRLKAFQGTGFDAO-AWEZNQCLSA-N -1 3 305.359 0.833 10 0 DCAEHM CN(C)C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CCO1 ZINC000116928822 158168673 /nfs/dbraw/zinc/16/86/73/158168673.db2.gz ZKZHPOVCSSPKRU-LLVKDONJSA-N -1 3 316.361 0.326 10 0 DCAEHM C[C@@H](O)C(C)(C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000167079296 158366955 /nfs/dbraw/zinc/36/69/55/158366955.db2.gz RJPGMVNQTDSMQD-SECBINFHSA-N -1 3 300.380 0.947 10 0 DCAEHM CCOc1ccc(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1F ZINC000172784945 158399548 /nfs/dbraw/zinc/39/95/48/158399548.db2.gz UINIZFBRGREGQX-UHFFFAOYSA-N -1 3 322.296 0.113 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000328968871 159048416 /nfs/dbraw/zinc/04/84/16/159048416.db2.gz UGLIDMLYHLQHKD-QUBYGPBYSA-N -1 3 309.244 0.545 10 0 DCAEHM CC(C)OCCS(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccnn1C ZINC000343210721 415502048 /nfs/dbraw/zinc/50/20/48/415502048.db2.gz DKIWMQBSMIWLCI-AAEUAGOBSA-N -1 3 317.411 0.595 10 0 DCAEHM O=C(CS(=O)(=O)c1nnc[n-]1)Nc1cc(F)cc(F)c1 ZINC000086169976 415508097 /nfs/dbraw/zinc/50/80/97/415508097.db2.gz JSEZVMCRLCZHAE-UHFFFAOYSA-N -1 3 302.262 0.495 10 0 DCAEHM COc1nnc(NC(=O)C[C@H](C)NC(=O)c2ccccc2)[n-]1 ZINC000182992496 416234306 /nfs/dbraw/zinc/23/43/06/416234306.db2.gz QUMMXMSLVNVIFF-VIFPVBQESA-N -1 3 303.322 0.960 10 0 DCAEHM COc1nc(NC(=O)C[C@H](C)NC(=O)c2ccccc2)n[n-]1 ZINC000182992496 416234308 /nfs/dbraw/zinc/23/43/08/416234308.db2.gz QUMMXMSLVNVIFF-VIFPVBQESA-N -1 3 303.322 0.960 10 0 DCAEHM COc1n[n-]c(NC(=O)C[C@H](C)NC(=O)c2ccccc2)n1 ZINC000182992496 416234311 /nfs/dbraw/zinc/23/43/11/416234311.db2.gz QUMMXMSLVNVIFF-VIFPVBQESA-N -1 3 303.322 0.960 10 0 DCAEHM O=C1[N-]C(=O)[C@@H](Cc2nc(CCCc3ccccc3)no2)N1 ZINC000358847782 416283345 /nfs/dbraw/zinc/28/33/45/416283345.db2.gz GKWYCJQRXCRNQE-LLVKDONJSA-N -1 3 300.318 0.995 10 0 DCAEHM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccco2)[C@@H]1c1cccnc1 ZINC000583616563 416478343 /nfs/dbraw/zinc/47/83/43/416478343.db2.gz LTVCPHZFRRTVNI-RISCZKNCSA-N -1 3 321.358 0.925 10 0 DCAEHM Cc1nc(SCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)n[nH]1 ZINC000539323580 416577588 /nfs/dbraw/zinc/57/75/88/416577588.db2.gz IXLDEFSSWKMUAZ-QMMMGPOBSA-N -1 3 308.371 0.125 10 0 DCAEHM CCOC(=O)[C@@H](CC(C)C)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366134661 416619044 /nfs/dbraw/zinc/61/90/44/416619044.db2.gz ZRQXLDNECALFFY-IAQYHMDHSA-N -1 3 311.382 0.638 10 0 DCAEHM COCC[C@@H]1COCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565195849 416939821 /nfs/dbraw/zinc/93/98/21/416939821.db2.gz NXEYSIQPLGLEBP-LLVKDONJSA-N -1 3 307.350 0.937 10 0 DCAEHM O=S(=O)([N-]CC[C@@]1(O)CCOC1)c1ccc(F)cc1F ZINC000404151347 417117021 /nfs/dbraw/zinc/11/70/21/417117021.db2.gz NOPFIVJRJKGCJJ-GFCCVEGCSA-N -1 3 307.318 0.785 10 0 DCAEHM O=C(/C=C/c1cncc([O-])c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000182005408 261114786 /nfs/dbraw/zinc/11/47/86/261114786.db2.gz OPXUUKQDPVPDPW-XYBNCVKDSA-N -1 3 314.345 0.925 10 0 DCAEHM Cc1[nH]c2ccccc2c1C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000368658554 280184224 /nfs/dbraw/zinc/18/42/24/280184224.db2.gz LYIIDROLBXVVIS-MRXNPFEDSA-N -1 3 312.329 0.900 10 0 DCAEHM CCn1c2ccccc2nc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000130299525 523288368 /nfs/dbraw/zinc/28/83/68/523288368.db2.gz AIWCVYFAHGDWAH-VIFPVBQESA-N -1 3 301.306 0.593 10 0 DCAEHM CN1CC[C@@H](CNC(=O)CN2CC(=O)[N-]C2=O)c2ccccc21 ZINC000111575841 523958405 /nfs/dbraw/zinc/95/84/05/523958405.db2.gz ALCXYMNSADRACZ-NSHDSACASA-N -1 3 316.361 0.278 10 0 DCAEHM Cc1csc(C2(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)CCCC2)n1 ZINC000155861313 526323709 /nfs/dbraw/zinc/32/37/09/526323709.db2.gz FVWMZLAKPXNRIT-VIFPVBQESA-N -1 3 322.390 0.935 10 0 DCAEHM Cc1nc(C[N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)no1 ZINC000190873687 526889989 /nfs/dbraw/zinc/88/99/89/526889989.db2.gz ORMLNUAKNWDDAA-UHFFFAOYSA-N -1 3 323.374 0.975 10 0 DCAEHM COc1ccc([O-])c(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000284604878 536818140 /nfs/dbraw/zinc/81/81/40/536818140.db2.gz SYMQKEOBZKBEDS-UKRRQHHQSA-N -1 3 306.362 0.946 10 0 DCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCc1cc(F)ccc1F ZINC000177116605 545890300 /nfs/dbraw/zinc/89/03/00/545890300.db2.gz QVRROAVMOMSDHM-NSHDSACASA-N -1 3 311.288 0.612 10 0 DCAEHM O=C(N[C@H]1CCCn2ncnc21)c1nnc2ccccc2c1[O-] ZINC000175711513 658675285 /nfs/dbraw/zinc/67/52/85/658675285.db2.gz SVMWSHDLXZHBTJ-NSHDSACASA-N -1 3 310.317 0.780 10 0 DCAEHM O=C([N-]CCCN1CCO[C@@H](Cn2cccn2)C1)C(F)(F)F ZINC000154815997 665184156 /nfs/dbraw/zinc/18/41/56/665184156.db2.gz ZUUXRWDNNAYENT-LLVKDONJSA-N -1 3 320.315 0.653 10 0 DCAEHM CC[S@](=O)CCNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000734512592 666884662 /nfs/dbraw/zinc/88/46/62/666884662.db2.gz LEYJEOPPRYISPU-NRFANRHFSA-N -1 3 309.347 0.460 10 0 DCAEHM Nc1cc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)ccn1 ZINC000886071730 667728566 /nfs/dbraw/zinc/72/85/66/667728566.db2.gz BPNPHUBMLDCDEO-HNNXBMFYSA-N -1 3 306.366 0.025 10 0 DCAEHM C[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)c1cn(C)nn1 ZINC000720549225 685314437 /nfs/dbraw/zinc/31/44/37/685314437.db2.gz XRDXWMBEKRITLT-SSDOTTSWSA-N -1 3 301.759 0.903 10 0 DCAEHM CCS(=O)(=O)NCCNC(=O)c1c([O-])cccc1OC ZINC000405411815 1190291712 /nfs/dbraw/zinc/29/17/12/1190291712.db2.gz UPHMYWNFPXXUCB-UHFFFAOYSA-N -1 3 302.352 0.070 10 0 DCAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F ZINC000429871988 240378328 /nfs/dbraw/zinc/37/83/28/240378328.db2.gz WPWXWIPHOIHYFW-ZETCQYMHSA-N -1 3 321.708 0.665 10 0 DCAEHM O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000178298572 284263936 /nfs/dbraw/zinc/26/39/36/284263936.db2.gz XNLIYFNOOBZAMO-LSDHHAIUSA-N -1 3 322.320 0.958 10 0 DCAEHM CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-] ZINC000017125728 182076036 /nfs/dbraw/zinc/07/60/36/182076036.db2.gz FRMXVEDKXFUWRZ-IHRRRGAJSA-N -1 3 324.377 0.238 10 0 DCAEHM C[C@@H]1CCC[C@@H](OCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000572690142 291583187 /nfs/dbraw/zinc/58/31/87/291583187.db2.gz OYTRWYBFMAZUIF-HSMVNMDESA-N -1 3 323.393 0.782 10 0 DCAEHM CCOCCOCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000110786992 194357821 /nfs/dbraw/zinc/35/78/21/194357821.db2.gz YTMHYSOIKKGKEV-UHFFFAOYSA-N -1 3 305.338 0.536 10 0 DCAEHM CCOCCOCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000110786992 194357823 /nfs/dbraw/zinc/35/78/23/194357823.db2.gz YTMHYSOIKKGKEV-UHFFFAOYSA-N -1 3 305.338 0.536 10 0 DCAEHM CCN(CCO)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000097477970 284966482 /nfs/dbraw/zinc/96/64/82/284966482.db2.gz SWUVURVNTQDVAP-CYBMUJFWSA-N -1 3 306.362 0.838 10 0 DCAEHM Cc1ccc(C(=O)NCCC(=O)NCC2(C)COC2)c([O-])c1 ZINC000112728359 395823203 /nfs/dbraw/zinc/82/32/03/395823203.db2.gz KRAAWTQYSFYWSF-UHFFFAOYSA-N -1 3 306.362 0.973 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000272452112 395892266 /nfs/dbraw/zinc/89/22/66/395892266.db2.gz JSAFNGWHBYLEOB-QWRGUYRKSA-N -1 3 321.308 0.754 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N(CCc1cccc(F)c1)C1CC1 ZINC000134949123 395936207 /nfs/dbraw/zinc/93/62/07/395936207.db2.gz JCSFIPFZPLGNIH-UHFFFAOYSA-N -1 3 319.336 0.911 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000155959782 396060068 /nfs/dbraw/zinc/06/00/68/396060068.db2.gz ADTVIZLOUVGDQF-BDAKNGLRSA-N -1 3 308.363 0.447 10 0 DCAEHM O=C(Nc1ccccc1[O-])C1CCN([C@H]2CCNC2=O)CC1 ZINC000178284473 396192901 /nfs/dbraw/zinc/19/29/01/396192901.db2.gz ZDHOJLGHFMNOTO-ZDUSSCGKSA-N -1 3 303.362 0.931 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)C[C@H]1N1CCOCC1 ZINC000182787991 396254162 /nfs/dbraw/zinc/25/41/62/396254162.db2.gz FWZSHVKZRUPCBM-BXUZGUMPSA-N -1 3 315.377 0.751 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)C[C@H]1N1CCOCC1 ZINC000182787991 396254163 /nfs/dbraw/zinc/25/41/63/396254163.db2.gz FWZSHVKZRUPCBM-BXUZGUMPSA-N -1 3 315.377 0.751 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)C[C@H]1N1CCOCC1 ZINC000182787991 396254165 /nfs/dbraw/zinc/25/41/65/396254165.db2.gz FWZSHVKZRUPCBM-BXUZGUMPSA-N -1 3 315.377 0.751 10 0 DCAEHM CC[C@@H](CO)N1CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000180180642 396232041 /nfs/dbraw/zinc/23/20/41/396232041.db2.gz GCCGWQBFTOINIZ-NSHDSACASA-N -1 3 303.366 0.487 10 0 DCAEHM CC[C@@H](CO)N1CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000180180642 396232045 /nfs/dbraw/zinc/23/20/45/396232045.db2.gz GCCGWQBFTOINIZ-NSHDSACASA-N -1 3 303.366 0.487 10 0 DCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(C2CC2)cc1 ZINC000191314495 396418034 /nfs/dbraw/zinc/41/80/34/396418034.db2.gz JXJIOLWCIAGGFI-UHFFFAOYSA-N -1 3 300.318 0.453 10 0 DCAEHM CC(=O)c1ccc(C(=O)NC[C@]2(OCCO)CCOC2)cc1[O-] ZINC000617706641 396779827 /nfs/dbraw/zinc/77/98/27/396779827.db2.gz VJJSUSZKXALQAL-MRXNPFEDSA-N -1 3 323.345 0.493 10 0 DCAEHM CC(C)N(CC(=O)[O-])C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000630573411 397051080 /nfs/dbraw/zinc/05/10/80/397051080.db2.gz VYCSHLVVQALLHV-AWEZNQCLSA-N -1 3 307.394 0.767 10 0 DCAEHM CCNS(=O)(=O)[N-][C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444274682 397415674 /nfs/dbraw/zinc/41/56/74/397415674.db2.gz DGBWDLLDQMZQSQ-BXKDBHETSA-N -1 3 308.400 0.177 10 0 DCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@](C)(CO)OC ZINC000594484325 397560763 /nfs/dbraw/zinc/56/07/63/397560763.db2.gz IOGXBNNKRXVMJI-NSHDSACASA-N -1 3 323.392 0.210 10 0 DCAEHM COC[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000069097794 158044631 /nfs/dbraw/zinc/04/46/31/158044631.db2.gz VJIXYEADYDSHEQ-NXEZZACHSA-N -1 3 318.370 0.644 10 0 DCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCOc2cccc(F)c2C1 ZINC000367313443 159330877 /nfs/dbraw/zinc/33/08/77/159330877.db2.gz XAIUCRDVUAWKMC-LLVKDONJSA-N -1 3 321.308 0.535 10 0 DCAEHM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2cccc([O-])c2)C1=O ZINC000367998874 159370207 /nfs/dbraw/zinc/37/02/07/159370207.db2.gz IIHNUROZGKWHPZ-MEDUHNTESA-N -1 3 317.345 0.843 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)C[C@H](C)O1 ZINC000408003325 160007839 /nfs/dbraw/zinc/00/78/39/160007839.db2.gz JLTLNEPXNUJRHW-HRDYMLBCSA-N -1 3 320.333 0.243 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-]C2CCC(C(N)=O)CC2)cn1C ZINC000408122738 160042185 /nfs/dbraw/zinc/04/21/85/160042185.db2.gz ZIEUPBRQTBUGCU-UHFFFAOYSA-N -1 3 300.384 0.051 10 0 DCAEHM CCc1cnc(C[N-]S(=O)(=O)N2C[C@H](C)OC[C@H]2C)o1 ZINC000408334702 160086927 /nfs/dbraw/zinc/08/69/27/160086927.db2.gz BXIBCTGHTORXES-ZJUUUORDSA-N -1 3 303.384 0.681 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C)C[C@@H]2C)c(C)o1 ZINC000408396092 160099647 /nfs/dbraw/zinc/09/96/47/160099647.db2.gz OJNHRCIECUAJRO-VIFPVBQESA-N -1 3 315.395 0.272 10 0 DCAEHM CC1(C)Cc2ccc(C(=O)N3C[C@H](O)C[C@H]3CO)c([O-])c2O1 ZINC000408410310 160102696 /nfs/dbraw/zinc/10/26/96/160102696.db2.gz NPMCVOHWKOMHRW-WDEREUQCSA-N -1 3 307.346 0.673 10 0 DCAEHM CCOC(=O)C(C)(C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000066530277 415360145 /nfs/dbraw/zinc/36/01/45/415360145.db2.gz GFRYLIAMXKEIID-UHFFFAOYSA-N -1 3 309.366 0.777 10 0 DCAEHM CCC(=O)N(C)[C@@H](C)C1=CCN(Cc2cc(=O)[n-]c(=O)[nH]2)CC1 ZINC000067677652 415381278 /nfs/dbraw/zinc/38/12/78/415381278.db2.gz ONEGNPXKLWYZKX-NSHDSACASA-N -1 3 320.393 0.452 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCOC2)ccc1F ZINC000084188158 415491692 /nfs/dbraw/zinc/49/16/92/415491692.db2.gz YSMKXECVRKJWDV-JTQLQIEISA-N -1 3 316.354 0.643 10 0 DCAEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000333161235 415573589 /nfs/dbraw/zinc/57/35/89/415573589.db2.gz LZHLMOKJFCGMRU-LLVKDONJSA-N -1 3 314.411 0.428 10 0 DCAEHM CN1CCN(c2ncccc2C(=O)[O-])C[C@@]12CCNC(=O)CC2 ZINC000107676457 415671804 /nfs/dbraw/zinc/67/18/04/415671804.db2.gz NOEZTXMVKVPUTE-MRXNPFEDSA-N -1 3 318.377 0.571 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N[C@H]1CCc3ncnn3C1)c2[O-] ZINC000119247957 415738979 /nfs/dbraw/zinc/73/89/79/415738979.db2.gz YHKAVCGPYNEASQ-QMMMGPOBSA-N -1 3 313.321 0.010 10 0 DCAEHM CC(=O)N[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)C(C)C ZINC000119693399 415751390 /nfs/dbraw/zinc/75/13/90/415751390.db2.gz WHMPNBISUZRPTQ-LBPRGKRZSA-N -1 3 304.354 0.909 10 0 DCAEHM CC(=O)N[C@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)C(C)C ZINC000119693399 415751392 /nfs/dbraw/zinc/75/13/92/415751392.db2.gz WHMPNBISUZRPTQ-LBPRGKRZSA-N -1 3 304.354 0.909 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@H](C)c2nnc3n2CCCC3)cn1C ZINC000121790500 415817913 /nfs/dbraw/zinc/81/79/13/415817913.db2.gz QGNNPDKDFFLOJZ-SECBINFHSA-N -1 3 324.410 0.696 10 0 DCAEHM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1 ZINC000177828233 416153011 /nfs/dbraw/zinc/15/30/11/416153011.db2.gz JVRGPDFQIGYSJN-UHFFFAOYSA-N -1 3 317.330 0.858 10 0 DCAEHM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1 ZINC000177828233 416153013 /nfs/dbraw/zinc/15/30/13/416153013.db2.gz JVRGPDFQIGYSJN-UHFFFAOYSA-N -1 3 317.330 0.858 10 0 DCAEHM COc1nnc(NC(=O)c2csc(-c3cnccn3)n2)[n-]1 ZINC000183010981 416234726 /nfs/dbraw/zinc/23/47/26/416234726.db2.gz QMBUVXWTBQTDKF-UHFFFAOYSA-N -1 3 303.307 0.979 10 0 DCAEHM COc1n[n-]c(NC(=O)c2csc(-c3cnccn3)n2)n1 ZINC000183010981 416234728 /nfs/dbraw/zinc/23/47/28/416234728.db2.gz QMBUVXWTBQTDKF-UHFFFAOYSA-N -1 3 303.307 0.979 10 0 DCAEHM COc1nc(NC(=O)c2csc(-c3cnccn3)n2)n[n-]1 ZINC000183010981 416234731 /nfs/dbraw/zinc/23/47/31/416234731.db2.gz QMBUVXWTBQTDKF-UHFFFAOYSA-N -1 3 303.307 0.979 10 0 DCAEHM CN(C)c1noc(CC[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000358574450 416256087 /nfs/dbraw/zinc/25/60/87/416256087.db2.gz HWNMFTLGVRJEGE-UHFFFAOYSA-N -1 3 314.342 0.796 10 0 DCAEHM CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000192599925 416308181 /nfs/dbraw/zinc/30/81/81/416308181.db2.gz PHNMSARRZDIWAR-CQSZACIVSA-N -1 3 317.389 0.771 10 0 DCAEHM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2cscn2)C1 ZINC000514670363 416669179 /nfs/dbraw/zinc/66/91/79/416669179.db2.gz OKVWRKQSULTHTO-SNVBAGLBSA-N -1 3 303.409 0.680 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CC(CN3CCOCC3)C2)cc1[O-] ZINC000615142097 416771687 /nfs/dbraw/zinc/77/16/87/416771687.db2.gz WSZQADDWTMJKNA-UHFFFAOYSA-N -1 3 318.373 0.999 10 0 DCAEHM O=S(=O)([N-]CC[C@@]1(O)CCOC1)c1cc(F)cc(F)c1 ZINC000404127428 417117180 /nfs/dbraw/zinc/11/71/80/417117180.db2.gz ASNJXFRQCLYYKP-GFCCVEGCSA-N -1 3 307.318 0.785 10 0 DCAEHM Cc1ccc(F)c(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c1 ZINC000404209953 417118800 /nfs/dbraw/zinc/11/88/00/417118800.db2.gz UBOMEIMJVFLVCV-ZDUSSCGKSA-N -1 3 303.355 0.954 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccco1 ZINC000643771375 417344246 /nfs/dbraw/zinc/34/42/46/417344246.db2.gz QESLMJZIJUWGTF-UTUOFQBUSA-N -1 3 300.380 0.546 10 0 DCAEHM COCCN1CCN(C(=O)/C=C/c2cncc([O-])c2)C[C@H]1C ZINC000182026747 261115102 /nfs/dbraw/zinc/11/51/02/261115102.db2.gz WHCHAGHULATBNG-ITDFMYJTSA-N -1 3 305.378 0.980 10 0 DCAEHM CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000013646355 280272909 /nfs/dbraw/zinc/27/29/09/280272909.db2.gz DOFAQXCYFQKSHT-TUAOUCFPSA-N -1 3 311.382 0.036 10 0 DCAEHM Cc1cc(CN[C@]2(C(=O)[O-])CCOC2)ccc1-n1cncn1 ZINC000551057976 288222602 /nfs/dbraw/zinc/22/26/02/288222602.db2.gz QIYXGAIFSLUENT-OAHLLOKOSA-N -1 3 302.334 0.909 10 0 DCAEHM COCCN1CCN(C(=O)c2cccc3[n-]nnc32)C[C@H]1C ZINC000188047322 333019133 /nfs/dbraw/zinc/01/91/33/333019133.db2.gz WKQMSXFJAWRTTJ-LLVKDONJSA-N -1 3 303.366 0.751 10 0 DCAEHM COCCN1CCN(C(=O)c2cccc3nn[n-]c32)C[C@H]1C ZINC000188047322 333019134 /nfs/dbraw/zinc/01/91/34/333019134.db2.gz WKQMSXFJAWRTTJ-LLVKDONJSA-N -1 3 303.366 0.751 10 0 DCAEHM COCCN1CCN(C(=O)c2cccc3n[n-]nc32)C[C@H]1C ZINC000188047322 333019135 /nfs/dbraw/zinc/01/91/35/333019135.db2.gz WKQMSXFJAWRTTJ-LLVKDONJSA-N -1 3 303.366 0.751 10 0 DCAEHM Cc1ccncc1-c1cccc(S(N)(=O)=O)c1-c1nnn[n-]1 ZINC000584597030 337374349 /nfs/dbraw/zinc/37/43/49/337374349.db2.gz TYPPDRKNERPHMN-UHFFFAOYSA-N -1 3 316.346 0.885 10 0 DCAEHM CC(C)(CNC(=O)CN1CC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000118522844 519241517 /nfs/dbraw/zinc/24/15/17/519241517.db2.gz BSVJRVWZIXELPH-UHFFFAOYSA-N -1 3 307.325 0.771 10 0 DCAEHM CCc1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c([O-])c1 ZINC000191683526 523886323 /nfs/dbraw/zinc/88/63/23/523886323.db2.gz MQZNWMJDPMCDNM-LLVKDONJSA-N -1 3 312.391 0.718 10 0 DCAEHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1CN(C)CCO1 ZINC000157175828 524882110 /nfs/dbraw/zinc/88/21/10/524882110.db2.gz PQCVJNYXAGEBGO-VIFPVBQESA-N -1 3 306.409 0.366 10 0 DCAEHM Cc1ccccc1C(C)(C)CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000155321546 525069283 /nfs/dbraw/zinc/06/92/83/525069283.db2.gz VPPFWDIZVPQBCQ-LBPRGKRZSA-N -1 3 303.362 0.987 10 0 DCAEHM COc1nnc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)[n-]1 ZINC000158913229 545858024 /nfs/dbraw/zinc/85/80/24/545858024.db2.gz MKTACOSDFNCJON-UHFFFAOYSA-N -1 3 303.200 0.773 10 0 DCAEHM COc1nc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)n[n-]1 ZINC000158913229 545858026 /nfs/dbraw/zinc/85/80/26/545858026.db2.gz MKTACOSDFNCJON-UHFFFAOYSA-N -1 3 303.200 0.773 10 0 DCAEHM COc1n[n-]c(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)n1 ZINC000158913229 545858028 /nfs/dbraw/zinc/85/80/28/545858028.db2.gz MKTACOSDFNCJON-UHFFFAOYSA-N -1 3 303.200 0.773 10 0 DCAEHM O=C1CC[C@@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)CCN1 ZINC000396710612 546223172 /nfs/dbraw/zinc/22/31/72/546223172.db2.gz NRVYNQLEFLQWFD-SNVBAGLBSA-N -1 3 304.318 0.912 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)NC1CC(C(=O)[O-])C1 ZINC000702431086 666956388 /nfs/dbraw/zinc/95/63/88/666956388.db2.gz RKTBPYDJCJZNOY-JXQTWKCFSA-N -1 3 305.378 0.425 10 0 DCAEHM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000123578198 668144626 /nfs/dbraw/zinc/14/46/26/668144626.db2.gz ZXCOYKDKLSIQSG-WCBMZHEXSA-N -1 3 316.379 0.857 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCC[S@](C)=O ZINC000116901779 671137852 /nfs/dbraw/zinc/13/78/52/671137852.db2.gz YINOGQYGXLKKBX-QGZVFWFLSA-N -1 3 313.832 0.429 10 0 DCAEHM O=C(C[N-]S(=O)(=O)c1cccnc1F)N1CCCCC1 ZINC000401863371 774069478 /nfs/dbraw/zinc/06/94/78/774069478.db2.gz SQEDSIBIFQEMJV-UHFFFAOYSA-N -1 3 301.343 0.512 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](O)C1 ZINC000174590729 198356741 /nfs/dbraw/zinc/35/67/41/198356741.db2.gz DBXPRMWHQVXQTD-VHSXEESVSA-N -1 3 316.354 0.086 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(C)=O)ccc1Cl ZINC000005878132 181292639 /nfs/dbraw/zinc/29/26/39/181292639.db2.gz ZIKBZOTYONPPFT-UHFFFAOYSA-N -1 3 305.739 0.994 10 0 DCAEHM COc1cc(N)ccc1[N-]S(=O)(=O)CCS(C)(=O)=O ZINC000063141958 184273354 /nfs/dbraw/zinc/27/33/54/184273354.db2.gz DDXPZIPGVFITNQ-UHFFFAOYSA-N -1 3 308.381 0.064 10 0 DCAEHM CCN(CCO)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000097477969 284965876 /nfs/dbraw/zinc/96/58/76/284965876.db2.gz SWUVURVNTQDVAP-ZDUSSCGKSA-N -1 3 306.362 0.838 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)nc1C ZINC000347969454 254206876 /nfs/dbraw/zinc/20/68/76/254206876.db2.gz UDWQTTJLZASGPA-QMMMGPOBSA-N -1 3 315.317 0.803 10 0 DCAEHM CC[C@@H](CO)[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000035610317 395721335 /nfs/dbraw/zinc/72/13/35/395721335.db2.gz NNDNLGFKRBVDTP-VIFPVBQESA-N -1 3 305.352 0.732 10 0 DCAEHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000115721019 395840513 /nfs/dbraw/zinc/84/05/13/395840513.db2.gz XPNKZHOBJHREIL-YPMHNXCESA-N -1 3 301.346 0.943 10 0 DCAEHM CN(C)[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(F)cc1 ZINC000137056863 395950230 /nfs/dbraw/zinc/95/02/30/395950230.db2.gz JSPGLNQWYGUZGL-RYUDHWBXSA-N -1 3 322.340 0.143 10 0 DCAEHM O=S(=O)([N-]N1CCOCC1)c1ccccc1Br ZINC000149925587 395970446 /nfs/dbraw/zinc/97/04/46/395970446.db2.gz QMBAHFBEOZGBST-UHFFFAOYSA-N -1 3 321.196 0.975 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153867180 396026507 /nfs/dbraw/zinc/02/65/07/396026507.db2.gz HWRCTBBYIOXJBS-NEPJUHHUSA-N -1 3 305.309 0.917 10 0 DCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)s1 ZINC000176933252 396163237 /nfs/dbraw/zinc/16/32/37/396163237.db2.gz SOSPMUHRVLEZSQ-SECBINFHSA-N -1 3 303.409 0.659 10 0 DCAEHM CC(C)[C@H](C)CC(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000262950321 396193902 /nfs/dbraw/zinc/19/39/02/396193902.db2.gz OPQRVLJKUOHGDH-OLZOCXBDSA-N -1 3 300.399 0.912 10 0 DCAEHM C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000282416414 396288770 /nfs/dbraw/zinc/28/87/70/396288770.db2.gz FGMFPLYYCSUIBO-XVKPBYJWSA-N -1 3 304.318 0.910 10 0 DCAEHM COc1ccc([O-])c(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c1 ZINC000285907666 396361124 /nfs/dbraw/zinc/36/11/24/396361124.db2.gz TWLUHKCIMHISJQ-ZFWWWQNUSA-N -1 3 306.362 0.946 10 0 DCAEHM CCCNc1ccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000193010043 396442399 /nfs/dbraw/zinc/44/23/99/396442399.db2.gz YLOKIOLSKNRBEK-LBPRGKRZSA-N -1 3 304.350 0.723 10 0 DCAEHM CCO[C@H]1C[C@@H]1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291471043 396492381 /nfs/dbraw/zinc/49/23/81/396492381.db2.gz FEBJBIIPCWUDKP-SDBXPKJASA-N -1 3 305.334 0.946 10 0 DCAEHM C[C@@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)Cc2ccccc2O1 ZINC000294427338 396674056 /nfs/dbraw/zinc/67/40/56/396674056.db2.gz YKDSUGZVGXUPEB-SNVBAGLBSA-N -1 3 303.318 0.348 10 0 DCAEHM CC(=O)c1ccc(C(=O)NC[C@@H](C)S(N)(=O)=O)cc1[O-] ZINC000613184569 397212780 /nfs/dbraw/zinc/21/27/80/397212780.db2.gz YILIHNIOEZNNNQ-SSDOTTSWSA-N -1 3 300.336 0.002 10 0 DCAEHM O=C(COCc1ccccc1)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000380880602 397270901 /nfs/dbraw/zinc/27/09/01/397270901.db2.gz CIFUPZDPFMYJGJ-HNNXBMFYSA-N -1 3 303.318 0.014 10 0 DCAEHM Cc1ccccc1-n1nccc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000091055228 158106617 /nfs/dbraw/zinc/10/66/17/158106617.db2.gz FPTNLCDIHNULDL-JTQLQIEISA-N -1 3 313.317 0.717 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2O)c1 ZINC000092910346 158116780 /nfs/dbraw/zinc/11/67/80/158116780.db2.gz BFOGZXCHHTVIGW-TZMCWYRMSA-N -1 3 307.375 0.840 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C1(CO)CCC1 ZINC000123061661 158226206 /nfs/dbraw/zinc/22/62/06/158226206.db2.gz OXMRWCGOMKDRNV-UHFFFAOYSA-N -1 3 317.363 0.876 10 0 DCAEHM CC(C)[C@H]1N(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C[C@@]12CCCO2 ZINC000329335343 159082844 /nfs/dbraw/zinc/08/28/44/159082844.db2.gz OLWHZDKWJFIADS-YGRLFVJLSA-N -1 3 308.338 0.500 10 0 DCAEHM C[C@@H]1CCN(S(=O)(=O)[N-]c2cnn(-c3ncccn3)c2)C1 ZINC000408142779 160047097 /nfs/dbraw/zinc/04/70/97/160047097.db2.gz YIMDGSYXAWDOPO-SNVBAGLBSA-N -1 3 308.367 0.661 10 0 DCAEHM CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)N2CCC[C@@H](C)C2)C1=O ZINC000408341486 160088055 /nfs/dbraw/zinc/08/80/55/160088055.db2.gz RKLXUBXFGNFPON-MNOVXSKESA-N -1 3 317.411 0.089 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1[O-] ZINC000408410131 160102984 /nfs/dbraw/zinc/10/29/84/160102984.db2.gz JWETYSVUKSWOBG-VIFPVBQESA-N -1 3 311.359 0.854 10 0 DCAEHM CCC[C@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)N(C)C ZINC000136377920 287026488 /nfs/dbraw/zinc/02/64/88/287026488.db2.gz UNGKBNWKTUHVGA-CQSZACIVSA-N -1 3 307.394 0.969 10 0 DCAEHM C[C@@H]1C[C@H](S(=O)(=O)[N-][C@H]2CN(c3ccccc3)C2=O)CCO1 ZINC000333276917 415597346 /nfs/dbraw/zinc/59/73/46/415597346.db2.gz DMFCRKFBNFSMNL-BNOWGMLFSA-N -1 3 324.402 0.889 10 0 DCAEHM Cc1ccc(Cn2nccc2NC(=O)C[C@@H]2NC(=O)[N-]C2=O)o1 ZINC000134221839 415956638 /nfs/dbraw/zinc/95/66/38/415956638.db2.gz OOQZHGOJARIBPJ-JTQLQIEISA-N -1 3 317.305 0.369 10 0 DCAEHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000153325773 415978864 /nfs/dbraw/zinc/97/88/64/415978864.db2.gz XPEZDAWDOIJTTE-KWQFWETISA-N -1 3 321.381 0.722 10 0 DCAEHM CC[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000163718355 416015157 /nfs/dbraw/zinc/01/51/57/416015157.db2.gz OPTCQPKSJQHIQW-DGCLKSJQSA-N -1 3 306.362 0.884 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCCc1cccc(Cl)c1 ZINC000179717119 416192002 /nfs/dbraw/zinc/19/20/02/416192002.db2.gz LTPYVZGZDQTPGS-NSHDSACASA-N -1 3 309.753 0.987 10 0 DCAEHM COc1nnc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)[n-]1 ZINC000182988454 416234958 /nfs/dbraw/zinc/23/49/58/416234958.db2.gz PNTJYXFXHYTOPM-UHFFFAOYSA-N -1 3 320.700 0.695 10 0 DCAEHM COc1nc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)n[n-]1 ZINC000182988454 416234962 /nfs/dbraw/zinc/23/49/62/416234962.db2.gz PNTJYXFXHYTOPM-UHFFFAOYSA-N -1 3 320.700 0.695 10 0 DCAEHM COc1n[n-]c(NC(=O)c2cc(Cl)ccc2-n2cnnn2)n1 ZINC000182988454 416234965 /nfs/dbraw/zinc/23/49/65/416234965.db2.gz PNTJYXFXHYTOPM-UHFFFAOYSA-N -1 3 320.700 0.695 10 0 DCAEHM CC1(C)CN(C(=O)CN2CC(=O)[N-]C2=O)CC[C@H]1C(F)(F)F ZINC000190649399 416281789 /nfs/dbraw/zinc/28/17/89/416281789.db2.gz BJJNWTSMCHXPBM-MRVPVSSYSA-N -1 3 321.299 0.975 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](c3nncn3CC)C2)n1 ZINC000583622065 416480515 /nfs/dbraw/zinc/48/05/15/416480515.db2.gz JGBRSOGSGCFYAG-GFCCVEGCSA-N -1 3 318.381 0.930 10 0 DCAEHM CCNC(=O)N1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000450123175 417200621 /nfs/dbraw/zinc/20/06/21/417200621.db2.gz VSJLANMSJOWLTF-NSHDSACASA-N -1 3 309.341 0.994 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-][C@H]2CCC(=O)N[C@@H]2C)nc1C ZINC000392903210 262160838 /nfs/dbraw/zinc/16/08/38/262160838.db2.gz PPSNUFYRVZDSPV-SCZZXKLOSA-N -1 3 300.384 0.157 10 0 DCAEHM CC(=O)[C@@H]1C[C@H](C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)C1(C)C ZINC000366082182 278228059 /nfs/dbraw/zinc/22/80/59/278228059.db2.gz APDWPKJOZSNBOW-LYOVBCGYSA-N -1 3 321.377 0.438 10 0 DCAEHM CN1CCO[C@@H](CN(CC2CC2)C(=O)c2cncc([O-])c2)C1 ZINC000275752632 290076280 /nfs/dbraw/zinc/07/62/80/290076280.db2.gz QXZHDQQKDUDXEJ-OAHLLOKOSA-N -1 3 305.378 0.970 10 0 DCAEHM NS(=O)(=O)c1cccc(-c2cccnc2)c1-c1nnn[n-]1 ZINC000584597093 337374314 /nfs/dbraw/zinc/37/43/14/337374314.db2.gz ZFKNEOQKUNISTF-UHFFFAOYSA-N -1 3 302.319 0.576 10 0 DCAEHM Cc1c(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)oc2ccccc12 ZINC000155973813 525982672 /nfs/dbraw/zinc/98/26/72/525982672.db2.gz HLESZKPBDPTYLG-JTQLQIEISA-N -1 3 301.302 0.956 10 0 DCAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CCC(=O)NC1 ZINC000532673463 546289546 /nfs/dbraw/zinc/28/95/46/546289546.db2.gz NRPWPDMSNKQEEM-SNVBAGLBSA-N -1 3 300.322 0.255 10 0 DCAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CCC(=O)NC1 ZINC000532673463 546289551 /nfs/dbraw/zinc/28/95/51/546289551.db2.gz NRPWPDMSNKQEEM-SNVBAGLBSA-N -1 3 300.322 0.255 10 0 DCAEHM Cc1cccc(S(=O)(=O)[N-]C[C@H]2CC(=O)N(C)C2)c1F ZINC000681820961 548299373 /nfs/dbraw/zinc/29/93/73/548299373.db2.gz LWISYGKKYVMRIG-SNVBAGLBSA-N -1 3 300.355 0.891 10 0 DCAEHM CC(=O)N1CCN(C(=O)c2cc3c(cc2[O-])OCO3)[C@H](C)C1 ZINC000436593315 663510948 /nfs/dbraw/zinc/51/09/48/663510948.db2.gz DFIQUTTWYVYRTH-SECBINFHSA-N -1 3 306.318 0.814 10 0 DCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1=O ZINC000709121136 667444119 /nfs/dbraw/zinc/44/41/19/667444119.db2.gz UJYQLYGZATUAIW-SECBINFHSA-N -1 3 321.761 0.773 10 0 DCAEHM CNC(=O)NCC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000397382848 1158098468 /nfs/dbraw/zinc/09/84/68/1158098468.db2.gz XKDGBTDTEDIMFB-UHFFFAOYSA-N -1 3 310.738 0.081 10 0 DCAEHM O=C(CCOCC(F)F)NCCNC(=O)c1ccccc1[O-] ZINC000189547262 1187914092 /nfs/dbraw/zinc/91/40/92/1187914092.db2.gz BRSCCQMPOXEILN-UHFFFAOYSA-N -1 3 316.304 0.910 10 0 DCAEHM O=C([O-])CC[C@@H]1CCCN(CCN2CCCS2(=O)=O)C1 ZINC000695041400 968954787 /nfs/dbraw/zinc/95/47/87/968954787.db2.gz WOWWHCTWABUVTQ-LBPRGKRZSA-N -1 3 304.412 0.599 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cscn2)c(C)o1 ZINC000175910207 530025724 /nfs/dbraw/zinc/02/57/24/530025724.db2.gz LSFPUWXHSNGNGL-UHFFFAOYSA-N -1 3 315.376 0.883 10 0 DCAEHM COc1nnc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)[n-]1 ZINC000179366795 199021943 /nfs/dbraw/zinc/02/19/43/199021943.db2.gz KLGPLYHDAMEWON-GFCCVEGCSA-N -1 3 317.349 0.653 10 0 DCAEHM COc1nc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n[n-]1 ZINC000179366795 199021945 /nfs/dbraw/zinc/02/19/45/199021945.db2.gz KLGPLYHDAMEWON-GFCCVEGCSA-N -1 3 317.349 0.653 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000179366795 199021947 /nfs/dbraw/zinc/02/19/47/199021947.db2.gz KLGPLYHDAMEWON-GFCCVEGCSA-N -1 3 317.349 0.653 10 0 DCAEHM C[C@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@H]1N1CCOCC1 ZINC000179524247 199050471 /nfs/dbraw/zinc/05/04/71/199050471.db2.gz ZCRZKFUXOLEWLN-SMDDNHRTSA-N -1 3 306.362 0.891 10 0 DCAEHM Cn1c2ccc(Cl)cc2nc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000109959881 194301305 /nfs/dbraw/zinc/30/13/05/194301305.db2.gz HAWUIWCKLRFXJB-UHFFFAOYSA-N -1 3 321.724 0.717 10 0 DCAEHM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)[N-]Cc1ncc(C)o1 ZINC000234582421 395889651 /nfs/dbraw/zinc/88/96/51/395889651.db2.gz MHZNLRXKWHGIPY-ZJUUUORDSA-N -1 3 302.352 0.744 10 0 DCAEHM Cc1cc([N-]C(=O)[C@H](C)N2CCS(=O)(=O)[C@H](C)C2)on1 ZINC000155482243 396052564 /nfs/dbraw/zinc/05/25/64/396052564.db2.gz NCRQRHGHCWMKAI-ZJUUUORDSA-N -1 3 301.368 0.429 10 0 DCAEHM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000155630664 396055306 /nfs/dbraw/zinc/05/53/06/396055306.db2.gz PUGLVSITOVZDPT-QWRGUYRKSA-N -1 3 319.365 0.299 10 0 DCAEHM Cc1cc(N2CCN(CC(=O)[O-])CC2)nc(-c2cnccn2)n1 ZINC000070456644 396102322 /nfs/dbraw/zinc/10/23/22/396102322.db2.gz CHUIBMXKOJKXML-UHFFFAOYSA-N -1 3 314.349 0.449 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC(C)(C)O ZINC000174845817 396139783 /nfs/dbraw/zinc/13/97/83/396139783.db2.gz VBLJWMXVVFHBBF-VIFPVBQESA-N -1 3 318.370 0.380 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN3CCC[C@H]3C2)co1 ZINC000178886770 396213072 /nfs/dbraw/zinc/21/30/72/396213072.db2.gz UIUQMNIKNGEBEB-NSHDSACASA-N -1 3 313.379 0.108 10 0 DCAEHM O=C1[N-]C(=O)[C@]2(CCCN(Cc3nc(C4CCCC4)no3)C2)N1 ZINC000192642187 396434255 /nfs/dbraw/zinc/43/42/55/396434255.db2.gz VTLMRCFWKGQTIB-OAHLLOKOSA-N -1 3 319.365 0.901 10 0 DCAEHM O=S(=O)([N-]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1c[nH]cn1 ZINC000374734364 396683433 /nfs/dbraw/zinc/68/34/33/396683433.db2.gz IOCUVQSEDQOUAX-JQWIXIFHSA-N -1 3 315.395 0.256 10 0 DCAEHM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cccc([O-])c1 ZINC000364697777 397235206 /nfs/dbraw/zinc/23/52/06/397235206.db2.gz FSLSAIXHQXEHGV-CQSZACIVSA-N -1 3 304.346 0.902 10 0 DCAEHM C[C@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127233786 158271483 /nfs/dbraw/zinc/27/14/83/158271483.db2.gz REXUJALSQINQQQ-YPMHNXCESA-N -1 3 306.362 0.884 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)[C@H](C)CO ZINC000167329936 158368243 /nfs/dbraw/zinc/36/82/43/158368243.db2.gz ACTCPTWYOIJICV-HTQZYQBOSA-N -1 3 319.379 0.978 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000328916300 159041271 /nfs/dbraw/zinc/04/12/71/159041271.db2.gz AIKTZQPNULTXJJ-QWRGUYRKSA-N -1 3 304.306 0.704 10 0 DCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC[C@H]1Cn1ccnn1 ZINC000329153194 159067117 /nfs/dbraw/zinc/06/71/17/159067117.db2.gz AZMJTGPZMMDKHS-JTQLQIEISA-N -1 3 315.312 0.993 10 0 DCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC[C@H]1Cn1ccnn1 ZINC000329153194 159067120 /nfs/dbraw/zinc/06/71/20/159067120.db2.gz AZMJTGPZMMDKHS-JTQLQIEISA-N -1 3 315.312 0.993 10 0 DCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC[C@H]1Cn1ccnn1 ZINC000329153194 159067122 /nfs/dbraw/zinc/06/71/22/159067122.db2.gz AZMJTGPZMMDKHS-JTQLQIEISA-N -1 3 315.312 0.993 10 0 DCAEHM O=C(C[C@H]1CCCCNC1=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329273212 159078230 /nfs/dbraw/zinc/07/82/30/159078230.db2.gz IWXJAFGWIANOMA-ZJUUUORDSA-N -1 3 308.338 0.736 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](O)C[C@@H]2C)c(C)o1 ZINC000408079843 160031060 /nfs/dbraw/zinc/03/10/60/160031060.db2.gz KSYJVEZBOUKERN-WPRPVWTQSA-N -1 3 316.379 0.482 10 0 DCAEHM Cc1cccc(C)c1CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000408128753 160043485 /nfs/dbraw/zinc/04/34/85/160043485.db2.gz LFUNAIRKIBJOTG-ZDUSSCGKSA-N -1 3 301.346 0.609 10 0 DCAEHM O=C(c1cccn1C1CCCC1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000408146348 160047566 /nfs/dbraw/zinc/04/75/66/160047566.db2.gz ZBDLVGJWZCVBIZ-CYBMUJFWSA-N -1 3 316.361 0.979 10 0 DCAEHM CSc1ccc(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1 ZINC000073050520 286912561 /nfs/dbraw/zinc/91/25/61/286912561.db2.gz YDAAODYKNYBALU-UHFFFAOYSA-N -1 3 306.347 0.297 10 0 DCAEHM C[C@H](O)CN1CCN(C(=O)/C=C/c2cncc([O-])c2)C[C@@H]1C ZINC000245683268 287071990 /nfs/dbraw/zinc/07/19/90/287071990.db2.gz JFXDTEGDEFDFKJ-GFSGRHGLSA-N -1 3 305.378 0.714 10 0 DCAEHM CCN1C[C@H](C(=O)[O-])C(=O)c2cc(F)c(N3CCNCC3)cc21 ZINC000028643018 415176592 /nfs/dbraw/zinc/17/65/92/415176592.db2.gz NFGPPHBSSDCMOL-NSHDSACASA-N -1 3 321.352 0.959 10 0 DCAEHM CC(C)[C@H](C)CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000088685207 415519166 /nfs/dbraw/zinc/51/91/66/415519166.db2.gz UWCZFVBBXJXMIC-SNVBAGLBSA-N -1 3 302.400 0.107 10 0 DCAEHM CCOc1[n-]c(N)nc2nnc(I)c1-2 ZINC000089222889 415519689 /nfs/dbraw/zinc/51/96/89/415519689.db2.gz MDAHQHJFWXEEFU-UHFFFAOYSA-N -1 3 305.079 0.938 10 0 DCAEHM CCOc1nc(N)[n-]c2nnc(I)c1-2 ZINC000089222889 415519694 /nfs/dbraw/zinc/51/96/94/415519694.db2.gz MDAHQHJFWXEEFU-UHFFFAOYSA-N -1 3 305.079 0.938 10 0 DCAEHM CCOc1nc(N)nc2[n-]nc(I)c21 ZINC000089222889 415519701 /nfs/dbraw/zinc/51/97/01/415519701.db2.gz MDAHQHJFWXEEFU-UHFFFAOYSA-N -1 3 305.079 0.938 10 0 DCAEHM CCOc1nc(N)nc2n[n-]c(I)c21 ZINC000089222889 415519709 /nfs/dbraw/zinc/51/97/09/415519709.db2.gz MDAHQHJFWXEEFU-UHFFFAOYSA-N -1 3 305.079 0.938 10 0 DCAEHM C/C=C/C[C@@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)OCC ZINC000357145482 416036551 /nfs/dbraw/zinc/03/65/51/416036551.db2.gz BWZVDUAWJDSFAD-OKPNEXGHSA-N -1 3 315.395 0.905 10 0 DCAEHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)c[nH]1 ZINC000328610479 416122961 /nfs/dbraw/zinc/12/29/61/416122961.db2.gz HYTBKBGYKMCFPQ-VIFPVBQESA-N -1 3 310.383 0.938 10 0 DCAEHM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000182212678 416216402 /nfs/dbraw/zinc/21/64/02/416216402.db2.gz FPDTYSQGYDGMPE-ZYHUDNBSSA-N -1 3 302.334 0.543 10 0 DCAEHM CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000188282903 416261801 /nfs/dbraw/zinc/26/18/01/416261801.db2.gz OPTCQPKSJQHIQW-WCQYABFASA-N -1 3 306.362 0.884 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000436713978 416566813 /nfs/dbraw/zinc/56/68/13/416566813.db2.gz GWROXMQUAUWKGA-GHMZBOCLSA-N -1 3 322.361 0.887 10 0 DCAEHM CCO[C@H](CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)C(C)C ZINC000447756084 417025007 /nfs/dbraw/zinc/02/50/07/417025007.db2.gz VJLZCOCKGKPWAR-IAQYHMDHSA-N -1 3 311.382 0.638 10 0 DCAEHM O=C(CCc1ccc(O)cc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000568590378 417154155 /nfs/dbraw/zinc/15/41/55/417154155.db2.gz ZBYOKDWWXZWTCC-MRXNPFEDSA-N -1 3 317.345 0.525 10 0 DCAEHM COC[C@@]1(C(=O)[O-])CCCN1CCn1c(C)csc1=O ZINC000643879721 417408586 /nfs/dbraw/zinc/40/85/86/417408586.db2.gz YZDAUZCKYQQIHT-CYBMUJFWSA-N -1 3 300.380 0.784 10 0 DCAEHM CC(C)c1[nH]nc(C(N)=O)c1[N-]S(=O)(=O)N1CCC[C@@H]1C ZINC000451117703 287456436 /nfs/dbraw/zinc/45/64/36/287456436.db2.gz UXQJWQZFDYOGMQ-QMMMGPOBSA-N -1 3 315.399 0.773 10 0 DCAEHM COCCN1CCN(C(=O)/C=C/c2cncc([O-])c2)C[C@@H]1C ZINC000182026769 261115501 /nfs/dbraw/zinc/11/55/01/261115501.db2.gz WHCHAGHULATBNG-OOPCZODUSA-N -1 3 305.378 0.980 10 0 DCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCC(N)=O ZINC000362610322 262051972 /nfs/dbraw/zinc/05/19/72/262051972.db2.gz DAUTXXJBPLEXTF-UHFFFAOYSA-N -1 3 303.322 0.157 10 0 DCAEHM Cc1ccc2c(c1)[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@H](C)C2 ZINC000183173705 278889988 /nfs/dbraw/zinc/88/99/88/278889988.db2.gz MFTBITKITUIINR-PRHODGIISA-N -1 3 314.345 0.617 10 0 DCAEHM CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000722638134 657804217 /nfs/dbraw/zinc/80/42/17/657804217.db2.gz ONKMOKDINVCXNT-NSHDSACASA-N -1 3 324.381 0.768 10 0 DCAEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000040691959 663043036 /nfs/dbraw/zinc/04/30/36/663043036.db2.gz NRUHERDFPPPUDI-VIFPVBQESA-N -1 3 306.819 0.836 10 0 DCAEHM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000713250273 670155112 /nfs/dbraw/zinc/15/51/12/670155112.db2.gz HAVUJVIONCCNRX-YUTCNCBUSA-N -1 3 306.362 0.865 10 0 DCAEHM COCCCOC1CN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000176500670 685145717 /nfs/dbraw/zinc/14/57/17/685145717.db2.gz VJSYPNIYMUINBL-UHFFFAOYSA-N -1 3 317.345 0.801 10 0 DCAEHM O=C1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)N1 ZINC000123684932 1177057156 /nfs/dbraw/zinc/05/71/56/1177057156.db2.gz ACEGCGMFEXCANQ-QMMMGPOBSA-N -1 3 320.729 0.563 10 0 DCAEHM COC[C@]1(C(=O)[O-])CCN(CC(=O)NCc2ccccc2)C1 ZINC000381055626 1190699131 /nfs/dbraw/zinc/69/91/31/1190699131.db2.gz IKZZAIDMBQTOHL-INIZCTEOSA-N -1 3 306.362 0.726 10 0 DCAEHM O=S(=O)([N-]CC[C@@]1(O)CCOC1)c1cnc(Cl)c(F)c1 ZINC000404219851 747442606 /nfs/dbraw/zinc/44/26/06/747442606.db2.gz KDRCECCTGGTZNA-LLVKDONJSA-N -1 3 324.761 0.694 10 0 DCAEHM C[C@@]1([N-]S(=O)(=O)c2cccnc2F)CCS(=O)(=O)C1 ZINC000401830128 768656826 /nfs/dbraw/zinc/65/68/26/768656826.db2.gz MUDCSYLZLYTIGB-SNVBAGLBSA-N -1 3 308.356 0.076 10 0 DCAEHM COc1nnc(NC(=O)CCn2cnc3sccc3c2=O)[n-]1 ZINC000179367931 199023597 /nfs/dbraw/zinc/02/35/97/199023597.db2.gz SBKUHFHIAQAKDS-UHFFFAOYSA-N -1 3 320.334 0.614 10 0 DCAEHM COc1nc(NC(=O)CCn2cnc3sccc3c2=O)n[n-]1 ZINC000179367931 199023598 /nfs/dbraw/zinc/02/35/98/199023598.db2.gz SBKUHFHIAQAKDS-UHFFFAOYSA-N -1 3 320.334 0.614 10 0 DCAEHM COc1n[n-]c(NC(=O)CCn2cnc3sccc3c2=O)n1 ZINC000179367931 199023599 /nfs/dbraw/zinc/02/35/99/199023599.db2.gz SBKUHFHIAQAKDS-UHFFFAOYSA-N -1 3 320.334 0.614 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)C[C@@H](C)O1 ZINC000340596655 253282406 /nfs/dbraw/zinc/28/24/06/253282406.db2.gz OWBXTBZTHJLHOX-HLTSFMKQSA-N -1 3 320.333 0.243 10 0 DCAEHM COc1nnc(NC(=O)CNC(=O)c2cccc(Cl)c2)[n-]1 ZINC000158282589 533183744 /nfs/dbraw/zinc/18/37/44/533183744.db2.gz AKMASLMBUGNGCP-UHFFFAOYSA-N -1 3 309.713 0.835 10 0 DCAEHM COc1nc(NC(=O)CNC(=O)c2cccc(Cl)c2)n[n-]1 ZINC000158282589 533183753 /nfs/dbraw/zinc/18/37/53/533183753.db2.gz AKMASLMBUGNGCP-UHFFFAOYSA-N -1 3 309.713 0.835 10 0 DCAEHM COc1n[n-]c(NC(=O)CNC(=O)c2cccc(Cl)c2)n1 ZINC000158282589 533183756 /nfs/dbraw/zinc/18/37/56/533183756.db2.gz AKMASLMBUGNGCP-UHFFFAOYSA-N -1 3 309.713 0.835 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000120542657 195187889 /nfs/dbraw/zinc/18/78/89/195187889.db2.gz CKAWDEWIVSGPEN-ZDUSSCGKSA-N -1 3 304.346 0.856 10 0 DCAEHM CN1C[C@@H]2CN(C(=O)c3cccs3)CCN2C[C@@H](C(=O)[O-])C1 ZINC000248115509 257108233 /nfs/dbraw/zinc/10/82/33/257108233.db2.gz IMIZGBVOCAEMHQ-NWDGAFQWSA-N -1 3 323.418 0.521 10 0 DCAEHM O=C(NCCCCO)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000195010945 395813156 /nfs/dbraw/zinc/81/31/56/395813156.db2.gz HMKIJMPGHWQTAQ-CYBMUJFWSA-N -1 3 306.362 0.886 10 0 DCAEHM CC(C)(CNC(=O)CN1CC(=O)[N-]C1=O)Cc1ccccc1 ZINC000117425475 395853117 /nfs/dbraw/zinc/85/31/17/395853117.db2.gz DNGQCDSNATZOPL-UHFFFAOYSA-N -1 3 303.362 0.923 10 0 DCAEHM C[C@H](CCO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000125867043 395907904 /nfs/dbraw/zinc/90/79/04/395907904.db2.gz LQMBZSJGGMGEPH-ZJUUUORDSA-N -1 3 318.370 0.380 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000153987862 396028210 /nfs/dbraw/zinc/02/82/10/396028210.db2.gz DFYJINUSTNBWSZ-FXQIFTODSA-N -1 3 307.272 0.822 10 0 DCAEHM Cc1cccc2nc(CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)n(C)c21 ZINC000155418844 396051927 /nfs/dbraw/zinc/05/19/27/396051927.db2.gz RAPRJBNPMGOTIM-JTQLQIEISA-N -1 3 315.333 0.096 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCSC)c(C)o1 ZINC000152678363 396013968 /nfs/dbraw/zinc/01/39/68/396013968.db2.gz QDBRIVPNTSAHOC-UHFFFAOYSA-N -1 3 306.409 0.931 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](O)C1CC1 ZINC000071304602 396112490 /nfs/dbraw/zinc/11/24/90/396112490.db2.gz GHMAIPLUUAFMTO-JTQLQIEISA-N -1 3 317.363 0.732 10 0 DCAEHM C[C@H]1CN(C(=O)c2cccc3[n-]nnc32)C[C@H]1N1CCOCC1 ZINC000182788011 396254248 /nfs/dbraw/zinc/25/42/48/396254248.db2.gz FWZSHVKZRUPCBM-SMDDNHRTSA-N -1 3 315.377 0.751 10 0 DCAEHM C[C@H]1CN(C(=O)c2cccc3nn[n-]c32)C[C@H]1N1CCOCC1 ZINC000182788011 396254251 /nfs/dbraw/zinc/25/42/51/396254251.db2.gz FWZSHVKZRUPCBM-SMDDNHRTSA-N -1 3 315.377 0.751 10 0 DCAEHM C[C@H]1CN(C(=O)c2cccc3n[n-]nc32)C[C@H]1N1CCOCC1 ZINC000182788011 396254253 /nfs/dbraw/zinc/25/42/53/396254253.db2.gz FWZSHVKZRUPCBM-SMDDNHRTSA-N -1 3 315.377 0.751 10 0 DCAEHM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000185269753 396323878 /nfs/dbraw/zinc/32/38/78/396323878.db2.gz NBQKQOSOKLRZJZ-MOVJSRMASA-N -1 3 307.803 0.987 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CN(C)CCO2)c(Cl)n1 ZINC000185476338 396328911 /nfs/dbraw/zinc/32/89/11/396328911.db2.gz HABDRJGKKYCHLG-SNVBAGLBSA-N -1 3 319.814 0.652 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-]Cc2nnc(C3CC3)o2)C[C@H](C)O1 ZINC000189067316 396390346 /nfs/dbraw/zinc/39/03/46/396390346.db2.gz RQWBSHCSELQTEM-DTORHVGOSA-N -1 3 316.383 0.391 10 0 DCAEHM Cc1ccn(CC(=O)Nc2cc(-c3nccn3C)[n-]n2)c(=O)c1 ZINC000192490964 396431301 /nfs/dbraw/zinc/43/13/01/396431301.db2.gz WXYLGOCRRDYDPP-UHFFFAOYSA-N -1 3 312.333 0.919 10 0 DCAEHM Cc1ccn(CC(=O)Nc2cc(-c3nccn3C)n[n-]2)c(=O)c1 ZINC000192490964 396431302 /nfs/dbraw/zinc/43/13/02/396431302.db2.gz WXYLGOCRRDYDPP-UHFFFAOYSA-N -1 3 312.333 0.919 10 0 DCAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000192594473 396433028 /nfs/dbraw/zinc/43/30/28/396433028.db2.gz XLLIXMNOSXNHQO-ZJUUUORDSA-N -1 3 300.384 0.175 10 0 DCAEHM Cc1nc([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)cs1 ZINC000188107262 396378831 /nfs/dbraw/zinc/37/88/31/396378831.db2.gz AFDLAYGKTHAEIF-WCBMZHEXSA-N -1 3 308.363 0.713 10 0 DCAEHM CC[C@@H]1CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000291860249 396516463 /nfs/dbraw/zinc/51/64/63/396516463.db2.gz FDMPNGDZIVNCAN-MRVPVSSYSA-N -1 3 324.362 0.207 10 0 DCAEHM COC(=O)c1cn([C@H]2CCN(C(=O)c3cccc([O-])c3)C2)nn1 ZINC000371854696 396478867 /nfs/dbraw/zinc/47/88/67/396478867.db2.gz YULLCJNKTGFMDB-NSHDSACASA-N -1 3 316.317 0.858 10 0 DCAEHM CC(C)c1nnc2n1CCN(CCCOC([O-])=NC(N)=O)[C@H]2C ZINC000375526644 396765392 /nfs/dbraw/zinc/76/53/92/396765392.db2.gz SAOPUUZJDOEUIH-JTQLQIEISA-N -1 3 324.385 0.973 10 0 DCAEHM CC(C)c1nnc2n1CCN(CCCOC(=O)N=C(N)[O-])[C@H]2C ZINC000375526644 396765400 /nfs/dbraw/zinc/76/54/00/396765400.db2.gz SAOPUUZJDOEUIH-JTQLQIEISA-N -1 3 324.385 0.973 10 0 DCAEHM CC(C)c1nnc2n1CCN(CCCOC(=O)[N-]C(N)=O)[C@H]2C ZINC000375526644 396765407 /nfs/dbraw/zinc/76/54/07/396765407.db2.gz SAOPUUZJDOEUIH-JTQLQIEISA-N -1 3 324.385 0.973 10 0 DCAEHM COCCN(CC(=O)[O-])C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000630571410 397048572 /nfs/dbraw/zinc/04/85/72/397048572.db2.gz WGRIOHVAFTXMIF-AWEZNQCLSA-N -1 3 323.393 0.005 10 0 DCAEHM CCCCCS(=O)(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000365518630 397290092 /nfs/dbraw/zinc/29/00/92/397290092.db2.gz BMWREFRLJGKLOR-GFCCVEGCSA-N -1 3 303.384 0.180 10 0 DCAEHM Cn1cc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)nn1 ZINC000389984265 397298566 /nfs/dbraw/zinc/29/85/66/397298566.db2.gz LDHLVWUWIZVLNP-UHFFFAOYSA-N -1 3 311.754 0.819 10 0 DCAEHM O=C1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)CCN1 ZINC000396725226 397311986 /nfs/dbraw/zinc/31/19/86/397311986.db2.gz YCURNBITXUANPD-QMMMGPOBSA-N -1 3 304.318 0.912 10 0 DCAEHM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444285826 286310413 /nfs/dbraw/zinc/31/04/13/286310413.db2.gz MHSIYAPSPFHOCH-BXKDBHETSA-N -1 3 308.400 0.129 10 0 DCAEHM Cc1cnn(CCNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000117951720 158174691 /nfs/dbraw/zinc/17/46/91/158174691.db2.gz TZMOICBKOCPHAD-UHFFFAOYSA-N -1 3 313.317 0.897 10 0 DCAEHM O=S(=O)([N-]C[C@H]1CN(C2CC2)CCO1)c1cccs1 ZINC000123603578 158231443 /nfs/dbraw/zinc/23/14/43/158231443.db2.gz BDHAZJWXQCOEQM-NSHDSACASA-N -1 3 302.421 0.890 10 0 DCAEHM C[C@@H](CO)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000247007965 158675902 /nfs/dbraw/zinc/67/59/02/158675902.db2.gz ZBIPQYYRZJLCIU-GUBZILKMSA-N -1 3 320.436 0.548 10 0 DCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@H](N2CCOCC2)C1 ZINC000328658206 159017715 /nfs/dbraw/zinc/01/77/15/159017715.db2.gz QPXLSHIFJGDXLV-NSHDSACASA-N -1 3 319.340 0.644 10 0 DCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@H](N2CCOCC2)C1 ZINC000328658206 159017717 /nfs/dbraw/zinc/01/77/17/159017717.db2.gz QPXLSHIFJGDXLV-NSHDSACASA-N -1 3 319.340 0.644 10 0 DCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@H](N2CCOCC2)C1 ZINC000328658206 159017718 /nfs/dbraw/zinc/01/77/18/159017718.db2.gz QPXLSHIFJGDXLV-NSHDSACASA-N -1 3 319.340 0.644 10 0 DCAEHM Cn1cc(C(=O)N2CCC[C@H](c3nccs3)C2)c(=O)[n-]c1=O ZINC000329213480 159074315 /nfs/dbraw/zinc/07/43/15/159074315.db2.gz JNIMIWCVYVKHMH-VIFPVBQESA-N -1 3 320.374 0.962 10 0 DCAEHM CN1CC[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329785065 159119457 /nfs/dbraw/zinc/11/94/57/159119457.db2.gz PTIRJJKQVYKTPB-OCCSQVGLSA-N -1 3 323.347 0.922 10 0 DCAEHM CNS(=O)(=O)NCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000408456896 160112442 /nfs/dbraw/zinc/11/24/42/160112442.db2.gz MBCQFSDUZDAGJI-VIFPVBQESA-N -1 3 313.379 0.286 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(N)=O)C2)cn1C ZINC000172610967 416047337 /nfs/dbraw/zinc/04/73/37/416047337.db2.gz TXLFMOSMSYCMAH-NXEZZACHSA-N -1 3 300.384 0.051 10 0 DCAEHM CCCS(=O)(=O)[N-][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174043237 416072848 /nfs/dbraw/zinc/07/28/48/416072848.db2.gz XWVPHAQRPOTCHR-LLVKDONJSA-N -1 3 314.411 0.553 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC=C(c2cccs2)CC1 ZINC000161570087 416012791 /nfs/dbraw/zinc/01/27/91/416012791.db2.gz YBVYBLNZHGCTGR-JTQLQIEISA-N -1 3 305.359 0.962 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1[O-] ZINC000436719042 416568591 /nfs/dbraw/zinc/56/85/91/416568591.db2.gz YPHAXKIJIORQRG-VHSXEESVSA-N -1 3 308.334 0.578 10 0 DCAEHM CCO[C@H]1C[C@]([N-]S(=O)(=O)N(C)CC)(C(=O)OC)C1(C)C ZINC000444289975 416830278 /nfs/dbraw/zinc/83/02/78/416830278.db2.gz TYMIXCIWIZMHOL-GWCFXTLKSA-N -1 3 322.427 0.519 10 0 DCAEHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCNC2=O)cc1F ZINC000295640697 225073597 /nfs/dbraw/zinc/07/35/97/225073597.db2.gz DHXAFIUBGCZHFO-JTQLQIEISA-N -1 3 304.318 0.830 10 0 DCAEHM CCOC(=O)[C@@H]1CN(C(=O)c2c([O-])cccc2O)CC12COC2 ZINC000452265510 417464116 /nfs/dbraw/zinc/46/41/16/417464116.db2.gz QQGJRIKQIOJZDT-JTQLQIEISA-N -1 3 321.329 0.750 10 0 DCAEHM O=C(NCCNS(=O)(=O)c1cccnc1)c1cccc([O-])c1 ZINC000357419117 261538554 /nfs/dbraw/zinc/53/85/54/261538554.db2.gz AMCMSIINCRFVBD-UHFFFAOYSA-N -1 3 321.358 0.496 10 0 DCAEHM CN(C)c1noc(-c2cnc3c(c2)c(=O)[n-]c(=O)n3C2CC2)n1 ZINC000547300475 288036749 /nfs/dbraw/zinc/03/67/49/288036749.db2.gz JBIPXHTWJPDENR-UHFFFAOYSA-N -1 3 314.305 0.948 10 0 DCAEHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccnn2C)c(C)o1 ZINC000166931562 521911727 /nfs/dbraw/zinc/91/17/27/521911727.db2.gz XDXGTBSOVZPCQA-UHFFFAOYSA-N -1 3 313.335 0.587 10 0 DCAEHM CCc1nc(C2(NC(=O)CN3CC(=O)[N-]C3=O)CCCC2)no1 ZINC000267351998 522242109 /nfs/dbraw/zinc/24/21/09/522242109.db2.gz CVRIIFMQBDECBR-UHFFFAOYSA-N -1 3 321.337 0.069 10 0 DCAEHM Cc1cccc([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000157783827 524889065 /nfs/dbraw/zinc/88/90/65/524889065.db2.gz JIBZACQBMAMEPE-NWDGAFQWSA-N -1 3 302.334 0.652 10 0 DCAEHM Cc1cccc2c(CCNC(=O)CN3CC(=O)[N-]C3=O)c[nH]c21 ZINC000128712297 524935054 /nfs/dbraw/zinc/93/50/54/524935054.db2.gz UNXREYJSMFMOEO-UHFFFAOYSA-N -1 3 314.345 0.687 10 0 DCAEHM Cn1cc(N2CC[C@@H](NC(=O)/C=C/c3cncc([O-])c3)C2)cn1 ZINC000365025405 527253038 /nfs/dbraw/zinc/25/30/38/527253038.db2.gz YTDXQFHBFXBKQM-YWVDXFKGSA-N -1 3 313.361 0.929 10 0 DCAEHM COc1ccc(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c([O-])c1 ZINC000285299055 536729648 /nfs/dbraw/zinc/72/96/48/536729648.db2.gz PLISFBSYZXFWIX-DZGCQCFKSA-N -1 3 306.362 0.946 10 0 DCAEHM C[N-]S(=O)(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000725272200 548750059 /nfs/dbraw/zinc/75/00/59/548750059.db2.gz ACARLMXLBFQECW-UHFFFAOYSA-N -1 3 316.383 0.542 10 0 DCAEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000040691961 663043054 /nfs/dbraw/zinc/04/30/54/663043054.db2.gz NRUHERDFPPPUDI-SECBINFHSA-N -1 3 306.819 0.836 10 0 DCAEHM Cc1c(C(=O)NC[C@H]2CCCO2)cnn1-c1cc(=O)[n-]cn1 ZINC000222923612 664393449 /nfs/dbraw/zinc/39/34/49/664393449.db2.gz LZXMVNAJWQZLRG-SNVBAGLBSA-N -1 3 303.322 0.585 10 0 DCAEHM Cn1cncc1CCC(=O)NCCNC(=O)c1ccccc1[O-] ZINC000189886054 1187954135 /nfs/dbraw/zinc/95/41/35/1187954135.db2.gz VUWKNRIWGKWRRN-UHFFFAOYSA-N -1 3 316.361 0.605 10 0 DCAEHM CSCC[C@H](N)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000697123123 976832835 /nfs/dbraw/zinc/83/28/35/976832835.db2.gz NBFPSKDUQUXQOM-VIFPVBQESA-N -1 3 300.384 0.722 10 0 DCAEHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1[nH]nc2c1CNCC2 ZINC000188533558 200262606 /nfs/dbraw/zinc/26/26/06/200262606.db2.gz RAPRONMXQUZPSI-UHFFFAOYSA-N -1 3 324.348 0.166 10 0 DCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282460196 217011386 /nfs/dbraw/zinc/01/13/86/217011386.db2.gz TVXHLQZRGKXTNR-VIFPVBQESA-N -1 3 305.334 0.653 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](C)CCO ZINC000097444740 193721459 /nfs/dbraw/zinc/72/14/59/193721459.db2.gz IXNFVZLTYBZWRI-MRVPVSSYSA-N -1 3 319.379 0.980 10 0 DCAEHM CC[C@H](C)[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000042278551 183248953 /nfs/dbraw/zinc/24/89/53/183248953.db2.gz MZIJMRWDTWKVGS-ZETCQYMHSA-N -1 3 310.372 0.550 10 0 DCAEHM C[C@H]1CN(C)c2ccccc2N(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000091061331 395721226 /nfs/dbraw/zinc/72/12/26/395721226.db2.gz KEJSLLRJLSTNCH-QWRGUYRKSA-N -1 3 316.361 0.704 10 0 DCAEHM CC[C@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)c1nccs1 ZINC000193938961 395782602 /nfs/dbraw/zinc/78/26/02/395782602.db2.gz BSYWSFIBVGBGDD-BDAKNGLRSA-N -1 3 305.425 0.990 10 0 DCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC[C@@H](C)O ZINC000226476374 395865868 /nfs/dbraw/zinc/86/58/68/395865868.db2.gz FQRVIRBFSFUUEB-MRVPVSSYSA-N -1 3 307.393 0.892 10 0 DCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC1CC(O)C1 ZINC000226477159 395866014 /nfs/dbraw/zinc/86/60/14/395866014.db2.gz BGMVNIOVKAVOLL-UHFFFAOYSA-N -1 3 319.404 0.892 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@H]2C)cn1C ZINC000246981723 395962996 /nfs/dbraw/zinc/96/29/96/395962996.db2.gz MOFGLRAOQIGIMY-PWSUYJOCSA-N -1 3 300.428 0.736 10 0 DCAEHM COc1nnc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)[n-]1 ZINC000182986926 396258219 /nfs/dbraw/zinc/25/82/19/396258219.db2.gz ALTVVCZHCXMKAE-CRCLSJGQSA-N -1 3 307.232 0.209 10 0 DCAEHM COc1nc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)n[n-]1 ZINC000182986926 396258220 /nfs/dbraw/zinc/25/82/20/396258220.db2.gz ALTVVCZHCXMKAE-CRCLSJGQSA-N -1 3 307.232 0.209 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)n1 ZINC000182986926 396258221 /nfs/dbraw/zinc/25/82/21/396258221.db2.gz ALTVVCZHCXMKAE-CRCLSJGQSA-N -1 3 307.232 0.209 10 0 DCAEHM CC[C@@H](O)CN1CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000183580043 396271435 /nfs/dbraw/zinc/27/14/35/396271435.db2.gz ZPMXRBHCLCPAIE-LLVKDONJSA-N -1 3 303.366 0.487 10 0 DCAEHM CC[C@@H](O)CN1CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000183580043 396271436 /nfs/dbraw/zinc/27/14/36/396271436.db2.gz ZPMXRBHCLCPAIE-LLVKDONJSA-N -1 3 303.366 0.487 10 0 DCAEHM CC[C@@H](O)CN1CCN(C(=O)c2cccc3n[n-]nc32)CC1 ZINC000183580043 396271437 /nfs/dbraw/zinc/27/14/37/396271437.db2.gz ZPMXRBHCLCPAIE-LLVKDONJSA-N -1 3 303.366 0.487 10 0 DCAEHM C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000282657604 396291323 /nfs/dbraw/zinc/29/13/23/396291323.db2.gz VDHSEVFOTHEYCJ-CPCISQLKSA-N -1 3 304.318 0.910 10 0 DCAEHM Cc1ccc(-n2cccn2)cc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000191435144 396419674 /nfs/dbraw/zinc/41/96/74/396419674.db2.gz FRXZBUYJLQWFPF-LBPRGKRZSA-N -1 3 313.317 0.717 10 0 DCAEHM Cc1cccc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000192652519 396433818 /nfs/dbraw/zinc/43/38/18/396433818.db2.gz XUBLPZKWGVSFTN-MRXNPFEDSA-N -1 3 316.361 0.608 10 0 DCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(Cc3nc(C4CCCC4)no3)C2)N1 ZINC000192642199 396433837 /nfs/dbraw/zinc/43/38/37/396433837.db2.gz VTLMRCFWKGQTIB-HNNXBMFYSA-N -1 3 319.365 0.901 10 0 DCAEHM CN1C[C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)CCC1=O ZINC000269929742 396455288 /nfs/dbraw/zinc/45/52/88/396455288.db2.gz CQPAZEZCKXLIJA-SECBINFHSA-N -1 3 303.771 0.634 10 0 DCAEHM O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1cccc([O-])c1 ZINC000371666926 396473769 /nfs/dbraw/zinc/47/37/69/396473769.db2.gz XUCSQVRVHMOOFE-OAHLLOKOSA-N -1 3 319.405 0.529 10 0 DCAEHM COC(=O)c1cn([C@@H]2CCN(C(=O)c3cccc([O-])c3)C2)nn1 ZINC000371854695 396478717 /nfs/dbraw/zinc/47/87/17/396478717.db2.gz YULLCJNKTGFMDB-LLVKDONJSA-N -1 3 316.317 0.858 10 0 DCAEHM O=C([O-])COCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000309714193 396758081 /nfs/dbraw/zinc/75/80/81/396758081.db2.gz KFXOZCTULWSGPV-AWEZNQCLSA-N -1 3 321.377 0.661 10 0 DCAEHM C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCOCC(=O)[O-] ZINC000309761841 396760483 /nfs/dbraw/zinc/76/04/83/396760483.db2.gz YHMWYUMVOKMRTF-ZDUSSCGKSA-N -1 3 323.393 0.907 10 0 DCAEHM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCN2CCC[C@H]2C1 ZINC000329488380 396845932 /nfs/dbraw/zinc/84/59/32/396845932.db2.gz ULBGJFVSRBMODL-ZDUSSCGKSA-N -1 3 314.345 0.950 10 0 DCAEHM O=C(C=Cc1cncc([O-])c1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000375938604 396847309 /nfs/dbraw/zinc/84/73/09/396847309.db2.gz TTZJJHNBQSEVMR-ISUDXETCSA-N -1 3 301.306 0.519 10 0 DCAEHM COC(=O)c1ccccc1CS(=O)(=O)[N-]Cc1cn(C)nn1 ZINC000611934707 396951475 /nfs/dbraw/zinc/95/14/75/396951475.db2.gz CNJKSTNKMHUVKY-UHFFFAOYSA-N -1 3 324.362 0.221 10 0 DCAEHM CC(=O)c1ccc(C(=O)NC[C@H]2CN3CCN2CCC3)cc1[O-] ZINC000614504839 397454055 /nfs/dbraw/zinc/45/40/55/397454055.db2.gz GVYALYOJIMKELP-AWEZNQCLSA-N -1 3 317.389 0.715 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCCN(c2ncccn2)C1)c1c[nH]cn1 ZINC000070417616 158048183 /nfs/dbraw/zinc/04/81/83/158048183.db2.gz WYMCMWZPCKJXKS-SNVBAGLBSA-N -1 3 308.367 0.147 10 0 DCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCC(F)F ZINC000073161610 158054040 /nfs/dbraw/zinc/05/40/40/158054040.db2.gz QJQOJIHOGGKXPY-UHFFFAOYSA-N -1 3 309.272 0.639 10 0 DCAEHM C[C@@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)OC(C)(C)C ZINC000125868636 158260385 /nfs/dbraw/zinc/26/03/85/158260385.db2.gz YLQLFQKXBRGZAF-GMTAPVOTSA-N -1 3 322.427 0.660 10 0 DCAEHM CN(Cc1nc2ccccc2n1C)C(=O)CN1CC(=O)[N-]C1=O ZINC000134909742 158332208 /nfs/dbraw/zinc/33/22/08/158332208.db2.gz FDTRKMRQUGGAOE-UHFFFAOYSA-N -1 3 315.333 0.084 10 0 DCAEHM CC(C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000135841188 158339818 /nfs/dbraw/zinc/33/98/18/158339818.db2.gz KLVWWNAUWGIIJX-CABZTGNLSA-N -1 3 311.359 0.630 10 0 DCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000328658205 159017320 /nfs/dbraw/zinc/01/73/20/159017320.db2.gz QPXLSHIFJGDXLV-LLVKDONJSA-N -1 3 319.340 0.644 10 0 DCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@@H](N2CCOCC2)C1 ZINC000328658205 159017321 /nfs/dbraw/zinc/01/73/21/159017321.db2.gz QPXLSHIFJGDXLV-LLVKDONJSA-N -1 3 319.340 0.644 10 0 DCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000328658205 159017323 /nfs/dbraw/zinc/01/73/23/159017323.db2.gz QPXLSHIFJGDXLV-LLVKDONJSA-N -1 3 319.340 0.644 10 0 DCAEHM Cc1noc([C@H](C)[N-]S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000408160700 160049786 /nfs/dbraw/zinc/04/97/86/160049786.db2.gz JTWOELPRVBQRHJ-CIUDSAMLSA-N -1 3 304.372 0.383 10 0 DCAEHM CN(C)c1nc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc(=O)[n-]1 ZINC000408242432 160067699 /nfs/dbraw/zinc/06/76/99/160067699.db2.gz UMEPXBATJOKGPX-MWLCHTKSSA-N -1 3 319.365 0.131 10 0 DCAEHM Cc1ccc(C(=O)NCCC(=O)NCc2ccnn2C)c([O-])c1 ZINC000170826833 416034206 /nfs/dbraw/zinc/03/42/06/416034206.db2.gz SZQAKAVTWTUXGV-UHFFFAOYSA-N -1 3 316.361 0.870 10 0 DCAEHM COc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)[n-]1 ZINC000179702874 416192927 /nfs/dbraw/zinc/19/29/27/416192927.db2.gz AIKBTCQLGGFWFN-UHFFFAOYSA-N -1 3 300.278 0.162 10 0 DCAEHM COc1nc(NC(=O)Cn2cnc3ccccc3c2=O)n[n-]1 ZINC000179702874 416192929 /nfs/dbraw/zinc/19/29/29/416192929.db2.gz AIKBTCQLGGFWFN-UHFFFAOYSA-N -1 3 300.278 0.162 10 0 DCAEHM COc1n[n-]c(NC(=O)Cn2cnc3ccccc3c2=O)n1 ZINC000179702874 416192931 /nfs/dbraw/zinc/19/29/31/416192931.db2.gz AIKBTCQLGGFWFN-UHFFFAOYSA-N -1 3 300.278 0.162 10 0 DCAEHM O=C(CN1CC[C@@H](N2CCOCC2)C1)[N-]OCc1ccccc1 ZINC000180514589 416198063 /nfs/dbraw/zinc/19/80/63/416198063.db2.gz VRZDWKUJYZGURD-MRXNPFEDSA-N -1 3 319.405 0.641 10 0 DCAEHM Cn1ncc2c1[n-]cc(C(=O)N1CCN3CCC[C@H]3C1)c2=O ZINC000181956273 416214216 /nfs/dbraw/zinc/21/42/16/416214216.db2.gz IIRVQGQUZMWNEW-JTQLQIEISA-N -1 3 301.350 0.594 10 0 DCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H]1CC[S@](=O)C1)c2=O ZINC000359445377 416346087 /nfs/dbraw/zinc/34/60/87/416346087.db2.gz XAFXNKZUAILGPP-AUADJRAKSA-N -1 3 320.370 0.788 10 0 DCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H](CO)C2CC2)cc1 ZINC000359818867 416360582 /nfs/dbraw/zinc/36/05/82/416360582.db2.gz HCAYAEIZJGBDDU-LBPRGKRZSA-N -1 3 312.391 0.806 10 0 DCAEHM Cn1ccc(C[N-]S(=O)(=O)c2cccc3c2OCCO3)n1 ZINC000535736442 416527423 /nfs/dbraw/zinc/52/74/23/416527423.db2.gz KHUQIZKBHGVMBB-UHFFFAOYSA-N -1 3 309.347 0.670 10 0 DCAEHM C/C=C/C[C@@H]([N-]S(=O)(=O)N(C)CCOC)C(=O)OCC ZINC000361957498 416534742 /nfs/dbraw/zinc/53/47/42/416534742.db2.gz KXOBPBBGTKAUMW-OKPNEXGHSA-N -1 3 308.400 0.297 10 0 DCAEHM Cc1nnc(CN2CCN(C(=O)c3ccc(O)cc3[O-])CC2)[nH]1 ZINC000436619505 416565858 /nfs/dbraw/zinc/56/58/58/416565858.db2.gz PLGPYOMTRWUSMR-UHFFFAOYSA-N -1 3 317.349 0.482 10 0 DCAEHM O=C(COC1CCCCC1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000369292315 416745348 /nfs/dbraw/zinc/74/53/48/416745348.db2.gz DRPHUCKZNDUBSH-HNNXBMFYSA-N -1 3 309.366 0.536 10 0 DCAEHM CCO[C@H]1C[C@@]([N-]S(=O)(=O)N(C)CC)(C(=O)OC)C1(C)C ZINC000444289976 416828999 /nfs/dbraw/zinc/82/89/99/416828999.db2.gz TYMIXCIWIZMHOL-GXFFZTMASA-N -1 3 322.427 0.519 10 0 DCAEHM CNC(=O)[C@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)C(C)C ZINC000179265806 261112063 /nfs/dbraw/zinc/11/20/63/261112063.db2.gz CXWGOYZTMXLQSE-LLVKDONJSA-N -1 3 302.400 0.513 10 0 DCAEHM CC[C@H](O)CN1CCN(C(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000179484885 261112809 /nfs/dbraw/zinc/11/28/09/261112809.db2.gz REFBVZBSPVFMHA-XGACYXMMSA-N -1 3 305.378 0.716 10 0 DCAEHM NC(=O)c1coc(C[N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000188242541 261126087 /nfs/dbraw/zinc/12/60/87/261126087.db2.gz KQBZXJGTOZDPPV-UHFFFAOYSA-N -1 3 322.342 0.792 10 0 DCAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-][C@@H](CO)CC(F)F ZINC000429906327 262610044 /nfs/dbraw/zinc/61/00/44/262610044.db2.gz XCBVQQGPPSCOFN-RXMQYKEDSA-N -1 3 303.718 0.368 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N1CCOC[C@@H]1C1CC1)c2[O-] ZINC000119449038 303060088 /nfs/dbraw/zinc/06/00/88/303060088.db2.gz UHNZBEGXJQICOH-GFCCVEGCSA-N -1 3 302.334 0.925 10 0 DCAEHM Cc1csc([C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)C2CC2)n1 ZINC000156400631 526414794 /nfs/dbraw/zinc/41/47/94/526414794.db2.gz ILTJNDGILBICJV-WPRPVWTQSA-N -1 3 308.363 0.617 10 0 DCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c1 ZINC000153331485 528616827 /nfs/dbraw/zinc/61/68/27/528616827.db2.gz MUADUVYBYWFOME-JTQLQIEISA-N -1 3 300.384 0.363 10 0 DCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NC1(CO)CC1 ZINC000162150690 545869373 /nfs/dbraw/zinc/86/93/73/545869373.db2.gz VEUMAWJTPSRWAD-UHFFFAOYSA-N -1 3 304.393 0.058 10 0 DCAEHM CC(C)OCCS(=O)(=O)[N-][C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000189200041 545920633 /nfs/dbraw/zinc/92/06/33/545920633.db2.gz QHHPJUQVRWACHN-QWHCGFSZSA-N -1 3 317.411 0.595 10 0 DCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCCNC3=O)cn21 ZINC000333171599 546073579 /nfs/dbraw/zinc/07/35/79/546073579.db2.gz NVRCRHDPFZECGO-NXEZZACHSA-N -1 3 312.395 0.337 10 0 DCAEHM CNC(=O)C1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CC1 ZINC000533185894 546289611 /nfs/dbraw/zinc/28/96/11/546289611.db2.gz LIRBCBFNPLRBPX-UHFFFAOYSA-N -1 3 300.322 0.255 10 0 DCAEHM CNC(=O)C1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CC1 ZINC000533185894 546289614 /nfs/dbraw/zinc/28/96/14/546289614.db2.gz LIRBCBFNPLRBPX-UHFFFAOYSA-N -1 3 300.322 0.255 10 0 DCAEHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909185716 663784502 /nfs/dbraw/zinc/78/45/02/663784502.db2.gz BXXFLJDABFVBPF-OSAQELSMSA-N -1 3 305.309 0.761 10 0 DCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC[S@@](C)=O ZINC000735052873 666944205 /nfs/dbraw/zinc/94/42/05/666944205.db2.gz PBWFLYHCZNSXJS-JOCHJYFZSA-N -1 3 322.390 0.660 10 0 DCAEHM Cc1nnsc1C(=O)NCCNC(=O)c1ccccc1[O-] ZINC000190483628 1187956877 /nfs/dbraw/zinc/95/68/77/1187956877.db2.gz FGXUMFCEBWSJBT-UHFFFAOYSA-N -1 3 306.347 0.712 10 0 DCAEHM O=S(=O)([N-]CC[C@@]1(O)CCOC1)c1cccnc1Cl ZINC000404229702 774126991 /nfs/dbraw/zinc/12/69/91/774126991.db2.gz NRMSZOZEBXGDFO-LLVKDONJSA-N -1 3 306.771 0.555 10 0 DCAEHM CN(CCN(C)c1ccccc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000153630175 291207832 /nfs/dbraw/zinc/20/78/32/291207832.db2.gz KTHDMMGZXWSRRQ-LBPRGKRZSA-N -1 3 304.350 0.179 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cccc(-c2ncco2)c1 ZINC000154996411 291217454 /nfs/dbraw/zinc/21/74/54/291217454.db2.gz CWFVXPAZHYBCIR-UHFFFAOYSA-N -1 3 300.274 0.832 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000155284848 291219271 /nfs/dbraw/zinc/21/92/71/291219271.db2.gz SBBZCMWJVPWQFZ-LBPRGKRZSA-N -1 3 319.336 0.962 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCCn1ccc2ccccc21 ZINC000042848200 183314106 /nfs/dbraw/zinc/31/41/06/183314106.db2.gz RDJLLMHPULDOFT-LBPRGKRZSA-N -1 3 314.345 0.746 10 0 DCAEHM NC(=S)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000061886684 184192011 /nfs/dbraw/zinc/19/20/11/184192011.db2.gz YBYFXUCAXHUPLC-NXEZZACHSA-N -1 3 303.384 0.954 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000272002502 209375545 /nfs/dbraw/zinc/37/55/45/209375545.db2.gz WECCAYIWFPRGLF-QWRGUYRKSA-N -1 3 321.308 0.754 10 0 DCAEHM Cn1ccnc1[C@H]1CN(C(=O)c2cncc([O-])c2)CCN1C ZINC000275529275 130330225 /nfs/dbraw/zinc/33/02/25/130330225.db2.gz DNDFZRQNPNNFLA-CYBMUJFWSA-N -1 3 301.350 0.650 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(Br)c1 ZINC000042849037 395749465 /nfs/dbraw/zinc/74/94/65/395749465.db2.gz DUIDXYLBCSWOEC-QMMMGPOBSA-N -1 3 312.123 0.986 10 0 DCAEHM O=S(=O)([N-][C@H]1CCc2ncnn2C1)c1cc(F)cc(F)c1 ZINC000113298337 395829326 /nfs/dbraw/zinc/82/93/26/395829326.db2.gz DVZWMYQUUUODIL-JTQLQIEISA-N -1 3 314.317 0.850 10 0 DCAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CCS(=O)(=O)[C@H](C)C2)on1 ZINC000155482148 396052161 /nfs/dbraw/zinc/05/21/61/396052161.db2.gz NCRQRHGHCWMKAI-NXEZZACHSA-N -1 3 301.368 0.429 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccc2c(c1)OCCCO2 ZINC000066775289 396014545 /nfs/dbraw/zinc/01/45/45/396014545.db2.gz VEOVSQAIKLMLOU-JTQLQIEISA-N -1 3 319.317 0.062 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[C@@H]2C)s1 ZINC000075980211 396190977 /nfs/dbraw/zinc/19/09/77/396190977.db2.gz LVACZLQUEBFFBL-IONNQARKSA-N -1 3 303.409 0.864 10 0 DCAEHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)on1 ZINC000285962630 396365757 /nfs/dbraw/zinc/36/57/57/396365757.db2.gz NNHZGDSAOUOTPN-AXFHLTTASA-N -1 3 307.354 0.408 10 0 DCAEHM COCCN1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1=O ZINC000192809132 396437995 /nfs/dbraw/zinc/43/79/95/396437995.db2.gz VBMWUDIPIJDJLY-GFCCVEGCSA-N -1 3 308.382 0.732 10 0 DCAEHM CC(=O)N1CC[C@H](CNC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000563272861 396719308 /nfs/dbraw/zinc/71/93/08/396719308.db2.gz HLNXCOFBAAJVLN-SECBINFHSA-N -1 3 305.313 0.695 10 0 DCAEHM CC(=O)N1CC[C@H](CNC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000563272861 396719312 /nfs/dbraw/zinc/71/93/12/396719312.db2.gz HLNXCOFBAAJVLN-SECBINFHSA-N -1 3 305.313 0.695 10 0 DCAEHM CC(=O)N1CC[C@H](CNC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000563272861 396719314 /nfs/dbraw/zinc/71/93/14/396719314.db2.gz HLNXCOFBAAJVLN-SECBINFHSA-N -1 3 305.313 0.695 10 0 DCAEHM O=C(C=Cc1cncc([O-])c1)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000375938605 396847676 /nfs/dbraw/zinc/84/76/76/396847676.db2.gz TTZJJHNBQSEVMR-YYRQZUAOSA-N -1 3 301.306 0.519 10 0 DCAEHM O=S(=O)(Cc1ccccc1Cl)[N-][C@H]1CCOC[C@@H]1O ZINC000625594733 396941003 /nfs/dbraw/zinc/94/10/03/396941003.db2.gz VSJFFOCQNDBFLW-RYUDHWBXSA-N -1 3 305.783 0.909 10 0 DCAEHM CC(=O)[C@@H](C)CCCCC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000330547477 159190892 /nfs/dbraw/zinc/19/08/92/159190892.db2.gz ZVCLUBCYPQIVAS-JQWIXIFHSA-N -1 3 309.366 0.535 10 0 DCAEHM O=C(c1cccn1C1CCCC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000408146349 160047519 /nfs/dbraw/zinc/04/75/19/160047519.db2.gz ZBDLVGJWZCVBIZ-ZDUSSCGKSA-N -1 3 316.361 0.979 10 0 DCAEHM C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000408222924 160062934 /nfs/dbraw/zinc/06/29/34/160062934.db2.gz RZYVAIACCXHYFA-MEBBXXQBSA-N -1 3 311.382 0.232 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCO1 ZINC000408394884 160099920 /nfs/dbraw/zinc/09/99/20/160099920.db2.gz RKGLQRPNMYRERX-RNJOBUHISA-N -1 3 322.427 0.124 10 0 DCAEHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000276334276 415470403 /nfs/dbraw/zinc/47/04/03/415470403.db2.gz LLTGGXNRNOFSQQ-NKWVEPMBSA-N -1 3 307.272 0.774 10 0 DCAEHM C[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(F)cc1F ZINC000123356143 415843006 /nfs/dbraw/zinc/84/30/06/415843006.db2.gz HHQCWACUNSCDAV-HQJQHLMTSA-N -1 3 311.288 0.783 10 0 DCAEHM Cc1cccc2nc(CNC(=O)CN3CC(=O)[N-]C3=O)n(C)c21 ZINC000120827167 415785173 /nfs/dbraw/zinc/78/51/73/415785173.db2.gz XTPWFLVEUOIEAK-UHFFFAOYSA-N -1 3 315.333 0.050 10 0 DCAEHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000153381359 415981419 /nfs/dbraw/zinc/98/14/19/415981419.db2.gz DWRWBFLLFHXZDB-VIFPVBQESA-N -1 3 321.381 0.676 10 0 DCAEHM CC(=O)N(C)c1ccccc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000345194334 416060089 /nfs/dbraw/zinc/06/00/89/416060089.db2.gz XUHCEMFHBJFRMA-UHFFFAOYSA-N -1 3 304.306 0.160 10 0 DCAEHM CN(CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C[C@H]1O ZINC000328606237 416123053 /nfs/dbraw/zinc/12/30/53/416123053.db2.gz QUHAEIZQJZJCMJ-LXTVHRRPSA-N -1 3 318.373 0.378 10 0 DCAEHM CCc1nc(C2([N-]S(=O)(=O)CCOC)CCCC2)no1 ZINC000177606828 416147965 /nfs/dbraw/zinc/14/79/65/416147965.db2.gz YAWFCPXLHOMJNT-UHFFFAOYSA-N -1 3 303.384 0.967 10 0 DCAEHM CCC(CC)[C@H](C(=O)Nc1nnc(OC)[n-]1)N1CCOCC1 ZINC000183002803 416235559 /nfs/dbraw/zinc/23/55/59/416235559.db2.gz JWKRUVSOUJDFRR-LLVKDONJSA-N -1 3 311.386 0.889 10 0 DCAEHM CCC(CC)[C@H](C(=O)Nc1n[n-]c(OC)n1)N1CCOCC1 ZINC000183002803 416235563 /nfs/dbraw/zinc/23/55/63/416235563.db2.gz JWKRUVSOUJDFRR-LLVKDONJSA-N -1 3 311.386 0.889 10 0 DCAEHM CCC(CC)[C@H](C(=O)Nc1nc(OC)n[n-]1)N1CCOCC1 ZINC000183002803 416235566 /nfs/dbraw/zinc/23/55/66/416235566.db2.gz JWKRUVSOUJDFRR-LLVKDONJSA-N -1 3 311.386 0.889 10 0 DCAEHM O=C1[N-]C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)C[C@H]12 ZINC000538712057 416573883 /nfs/dbraw/zinc/57/38/83/416573883.db2.gz HLMVINWOAHCPTH-LLVKDONJSA-N -1 3 303.318 0.194 10 0 DCAEHM COCC(COC)S(=O)(=O)[N-][C@H](CO)c1ccccc1 ZINC000641338498 416793196 /nfs/dbraw/zinc/79/31/96/416793196.db2.gz LNZZTLOBQSFYFM-CYBMUJFWSA-N -1 3 303.380 0.301 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CCN(CCO)C[C@@H]2C)cc1[O-] ZINC000616154893 416975884 /nfs/dbraw/zinc/97/58/84/416975884.db2.gz HTYCGQZGWPRLEC-NSHDSACASA-N -1 3 306.362 0.733 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CCN(CCO)C[C@H]2C)cc1[O-] ZINC000616154892 416978038 /nfs/dbraw/zinc/97/80/38/416978038.db2.gz HTYCGQZGWPRLEC-LLVKDONJSA-N -1 3 306.362 0.733 10 0 DCAEHM COC(=O)C1([N-]S(=O)(=O)[C@H]2CCO[C@H](C)C2)CCCC1 ZINC000408193611 417147515 /nfs/dbraw/zinc/14/75/15/417147515.db2.gz SYYLLQXLPKXNAT-MNOVXSKESA-N -1 3 305.396 0.959 10 0 DCAEHM CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2c[n-]nn2)C1 ZINC000620724368 417270412 /nfs/dbraw/zinc/27/04/12/417270412.db2.gz LABGBGOTRBDUEE-CQSZACIVSA-N -1 3 314.393 0.351 10 0 DCAEHM CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cnn[n-]2)C1 ZINC000620724368 417270419 /nfs/dbraw/zinc/27/04/19/417270419.db2.gz LABGBGOTRBDUEE-CQSZACIVSA-N -1 3 314.393 0.351 10 0 DCAEHM CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cn[n-]n2)C1 ZINC000620724368 417270423 /nfs/dbraw/zinc/27/04/23/417270423.db2.gz LABGBGOTRBDUEE-CQSZACIVSA-N -1 3 314.393 0.351 10 0 DCAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCCOC)[C@H]1CCCOC1 ZINC000358499653 271053274 /nfs/dbraw/zinc/05/32/74/271053274.db2.gz LPUAFTIAIXQKJS-NWDGAFQWSA-N -1 3 323.411 0.301 10 0 DCAEHM COc1cccc(C(=O)NCC(C)(C)S(C)(=O)=O)c1[O-] ZINC000093534774 545728133 /nfs/dbraw/zinc/72/81/33/545728133.db2.gz ZGGRCIMTXCPENR-UHFFFAOYSA-N -1 3 301.364 0.954 10 0 DCAEHM O=C1CC[C@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)CCN1 ZINC000396710610 546223215 /nfs/dbraw/zinc/22/32/15/546223215.db2.gz NRVYNQLEFLQWFD-JTQLQIEISA-N -1 3 304.318 0.912 10 0 DCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)[C@H](C)O ZINC000344957663 663081578 /nfs/dbraw/zinc/08/15/78/663081578.db2.gz UCFZUVGSHWWCNF-YUMQZZPRSA-N -1 3 305.327 0.660 10 0 DCAEHM CO[C@H](C(=O)[O-])C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000713274817 670155133 /nfs/dbraw/zinc/15/51/33/670155133.db2.gz HWNSGTXUQMPVSD-XBFCOCLRSA-N -1 3 306.362 0.723 10 0 DCAEHM NC(=O)c1coc(CNC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000190761882 670488586 /nfs/dbraw/zinc/48/85/86/670488586.db2.gz ANKGBCWBAWHAKG-UHFFFAOYSA-N -1 3 312.285 0.545 10 0 DCAEHM CN(CC(=O)NC(C)(C)C)C(=O)c1nnc2ccccc2c1[O-] ZINC000111541860 671263359 /nfs/dbraw/zinc/26/33/59/671263359.db2.gz DCBYNEZTKSEWLG-UHFFFAOYSA-N -1 3 316.361 0.910 10 0 DCAEHM CCOc1nnc(NC(=O)CNC(=O)c2ccc(C)s2)[n-]1 ZINC000228786677 1158064840 /nfs/dbraw/zinc/06/48/40/1158064840.db2.gz DUWBRLQCFBBXGA-UHFFFAOYSA-N -1 3 309.351 0.942 10 0 DCAEHM CCOc1nc(NC(=O)CNC(=O)c2ccc(C)s2)n[n-]1 ZINC000228786677 1158064846 /nfs/dbraw/zinc/06/48/46/1158064846.db2.gz DUWBRLQCFBBXGA-UHFFFAOYSA-N -1 3 309.351 0.942 10 0 DCAEHM CCOc1n[n-]c(NC(=O)CNC(=O)c2ccc(C)s2)n1 ZINC000228786677 1158064853 /nfs/dbraw/zinc/06/48/53/1158064853.db2.gz DUWBRLQCFBBXGA-UHFFFAOYSA-N -1 3 309.351 0.942 10 0 DCAEHM Cc1cc(C)cc(C[C@@H](C)NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000172853591 198158271 /nfs/dbraw/zinc/15/82/71/198158271.db2.gz GDJURXYQXRKJQC-GFCCVEGCSA-N -1 3 303.362 0.902 10 0 DCAEHM O=C([O-])CN1CCN(c2nc3ccccc3n3cnnc23)CC1 ZINC000073737108 191349896 /nfs/dbraw/zinc/34/98/96/191349896.db2.gz FQRQMBCXRQDHPK-UHFFFAOYSA-N -1 3 312.333 0.484 10 0 DCAEHM CN(CCCNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000042811556 183311222 /nfs/dbraw/zinc/31/12/22/183311222.db2.gz FEACJGBKKJQZCE-LBPRGKRZSA-N -1 3 304.350 0.227 10 0 DCAEHM C[C@H](CNC=C1C(=O)[N-]C(=O)c2ccccc21)N1CCOCC1 ZINC000032080277 395708955 /nfs/dbraw/zinc/70/89/55/395708955.db2.gz IJKATUPCMWWFFM-PKVLTRFUSA-N -1 3 315.373 0.608 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c(C)o1 ZINC000089419314 395711244 /nfs/dbraw/zinc/71/12/44/395711244.db2.gz LMPOKMHKRUFFEQ-LDYMZIIASA-N -1 3 316.379 0.339 10 0 DCAEHM CCc1nccn1[C@H]1CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000111613299 395810584 /nfs/dbraw/zinc/81/05/84/395810584.db2.gz RTVDQDWZRRQFSG-NSHDSACASA-N -1 3 319.365 0.161 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCc1nc2c(s1)CCCC2 ZINC000078600005 396248221 /nfs/dbraw/zinc/24/82/21/396248221.db2.gz NBDMJGODCBIYDS-UHFFFAOYSA-N -1 3 322.390 0.232 10 0 DCAEHM COc1nnc(NC(=O)CN(CCc2ccccc2)C(C)=O)[n-]1 ZINC000183002713 396258280 /nfs/dbraw/zinc/25/82/80/396258280.db2.gz MSOONERUWJUVQI-UHFFFAOYSA-N -1 3 317.349 0.843 10 0 DCAEHM COc1nc(NC(=O)CN(CCc2ccccc2)C(C)=O)n[n-]1 ZINC000183002713 396258282 /nfs/dbraw/zinc/25/82/82/396258282.db2.gz MSOONERUWJUVQI-UHFFFAOYSA-N -1 3 317.349 0.843 10 0 DCAEHM COc1n[n-]c(NC(=O)CN(CCc2ccccc2)C(C)=O)n1 ZINC000183002713 396258283 /nfs/dbraw/zinc/25/82/83/396258283.db2.gz MSOONERUWJUVQI-UHFFFAOYSA-N -1 3 317.349 0.843 10 0 DCAEHM CC[C@H](CO)N1CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000180180661 396232180 /nfs/dbraw/zinc/23/21/80/396232180.db2.gz GCCGWQBFTOINIZ-LLVKDONJSA-N -1 3 303.366 0.487 10 0 DCAEHM CC[C@H](CO)N1CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000180180661 396232183 /nfs/dbraw/zinc/23/21/83/396232183.db2.gz GCCGWQBFTOINIZ-LLVKDONJSA-N -1 3 303.366 0.487 10 0 DCAEHM CN(CC1(c2ccccc2)CC1)C(=O)CN1CC(=O)[N-]C1=O ZINC000186760685 396357287 /nfs/dbraw/zinc/35/72/87/396357287.db2.gz JXMREZRPHLFTEN-UHFFFAOYSA-N -1 3 301.346 0.728 10 0 DCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C)s1 ZINC000287689530 396416240 /nfs/dbraw/zinc/41/62/40/396416240.db2.gz FDNQHDGISYEZQX-POYBYMJQSA-N -1 3 305.381 0.557 10 0 DCAEHM CN1C[C@@H]([N-]S(=O)(=O)c2cncc(Cl)c2)CCC1=O ZINC000269929744 396455372 /nfs/dbraw/zinc/45/53/72/396455372.db2.gz CQPAZEZCKXLIJA-VIFPVBQESA-N -1 3 303.771 0.634 10 0 DCAEHM O=C(/C=C/c1cncc([O-])c1)N1CCN([C@H]2CCOC2)CC1 ZINC000371559161 396470873 /nfs/dbraw/zinc/47/08/73/396470873.db2.gz FRYUEWLCUXUWDD-YUKKFKLSSA-N -1 3 303.362 0.734 10 0 DCAEHM CCO[C@@H]1C[C@H]1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291471032 396492566 /nfs/dbraw/zinc/49/25/66/396492566.db2.gz FEBJBIIPCWUDKP-AMIZOPFISA-N -1 3 305.334 0.946 10 0 DCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1CC(CO)C1 ZINC000595400159 396602653 /nfs/dbraw/zinc/60/26/53/396602653.db2.gz ATKKNIRFVDXFBQ-UHFFFAOYSA-N -1 3 319.404 0.892 10 0 DCAEHM O=C([O-])COCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309714194 396758026 /nfs/dbraw/zinc/75/80/26/396758026.db2.gz KFXOZCTULWSGPV-CQSZACIVSA-N -1 3 321.377 0.661 10 0 DCAEHM CS(=O)(=O)CC1(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])CC1 ZINC000572250422 397038433 /nfs/dbraw/zinc/03/84/33/397038433.db2.gz SUQHNGCPCUWMJX-SRVKXCTJSA-N -1 3 301.408 0.996 10 0 DCAEHM Cc1cccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1[O-] ZINC000618681660 397012955 /nfs/dbraw/zinc/01/29/55/397012955.db2.gz QIHBJEPGUBSPRJ-LLVKDONJSA-N -1 3 312.391 0.807 10 0 DCAEHM C[C@@H](C(=O)[O-])N(C(=O)[C@H](N)CN(C)Cc1ccccc1)C1CC1 ZINC000630574440 397050160 /nfs/dbraw/zinc/05/01/60/397050160.db2.gz PPCHGWIQZNFFIP-SWLSCSKDSA-N -1 3 319.405 0.910 10 0 DCAEHM N#Cc1ccc(S(=O)(=O)[N-]C2COCCOC2)c(Cl)c1 ZINC000383625022 397278266 /nfs/dbraw/zinc/27/82/66/397278266.db2.gz SRNDTGTVQCDARS-UHFFFAOYSA-N -1 3 316.766 0.905 10 0 DCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1COCC1(C)C ZINC000384772157 397281385 /nfs/dbraw/zinc/28/13/85/397281385.db2.gz HIIFAQBXLYAWMP-UHFFFAOYSA-N -1 3 303.340 0.343 10 0 DCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1COCC1(C)C ZINC000384772157 397281389 /nfs/dbraw/zinc/28/13/89/397281389.db2.gz HIIFAQBXLYAWMP-UHFFFAOYSA-N -1 3 303.340 0.343 10 0 DCAEHM CN(CCCCO)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000385015828 397282591 /nfs/dbraw/zinc/28/25/91/397282591.db2.gz JNYZGHQILJMGTK-UHFFFAOYSA-N -1 3 320.436 0.647 10 0 DCAEHM CCOC1(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CCCC1 ZINC000376098514 285992276 /nfs/dbraw/zinc/99/22/76/285992276.db2.gz BEFOUBYIWRRCNL-CQSZACIVSA-N -1 3 309.366 0.536 10 0 DCAEHM O=C(CSc1ccccc1)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000083856505 158088518 /nfs/dbraw/zinc/08/85/18/158088518.db2.gz WQHHACNWKONXAH-CQSZACIVSA-N -1 3 305.359 0.589 10 0 DCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125056890 158250750 /nfs/dbraw/zinc/25/07/50/158250750.db2.gz IQETYRADRHVHGH-NSHDSACASA-N -1 3 305.338 0.104 10 0 DCAEHM CN1CC[C@H](NCc2nn(C)c(=O)[n-]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329785064 159119694 /nfs/dbraw/zinc/11/96/94/159119694.db2.gz PTIRJJKQVYKTPB-JSGCOSHPSA-N -1 3 323.347 0.922 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000329988692 159133846 /nfs/dbraw/zinc/13/38/46/159133846.db2.gz HLDCCELFHKQULF-LBPRGKRZSA-N -1 3 314.411 0.045 10 0 DCAEHM O=S1CCC([N-]S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000408206660 160060121 /nfs/dbraw/zinc/06/01/21/160060121.db2.gz CUBKXXXWUOPLHW-UHFFFAOYSA-N -1 3 308.812 0.924 10 0 DCAEHM CC1(C)Cc2ccc(C(=O)N3C[C@H](O)C[C@@H]3CO)c([O-])c2O1 ZINC000408410307 160102915 /nfs/dbraw/zinc/10/29/15/160102915.db2.gz NPMCVOHWKOMHRW-GHMZBOCLSA-N -1 3 307.346 0.673 10 0 DCAEHM C[C@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccc(F)cc1F ZINC000074178820 415430498 /nfs/dbraw/zinc/43/04/98/415430498.db2.gz BLUMKTKYAQNTSI-ZCFIWIBFSA-N -1 3 324.287 0.457 10 0 DCAEHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1nccn1CC ZINC000081532798 415485030 /nfs/dbraw/zinc/48/50/30/415485030.db2.gz ZFQVWNLQTYQKAU-UHFFFAOYSA-N -1 3 313.383 0.974 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cnn(-c2ccccc2F)c1 ZINC000153705195 415985354 /nfs/dbraw/zinc/98/53/54/415985354.db2.gz SCQSWIMWTVPJRU-JTQLQIEISA-N -1 3 317.280 0.548 10 0 DCAEHM O=C(Nc1ccn(CCN2CCOCC2)n1)c1cccc([O-])c1 ZINC000357354798 416066578 /nfs/dbraw/zinc/06/65/78/416066578.db2.gz MMQHABQWWMCNSU-UHFFFAOYSA-N -1 3 316.361 1.173 10 0 DCAEHM O=C(/C=C/c1cncc([O-])c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000182055146 416214342 /nfs/dbraw/zinc/21/43/42/416214342.db2.gz QYOXQUPXKBPJAB-VSZDKKFSSA-N -1 3 303.362 0.734 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](CO)C2CC2)c(C)o1 ZINC000358296540 416221417 /nfs/dbraw/zinc/22/14/17/416221417.db2.gz DJZYWGDZAKSMDW-JTQLQIEISA-N -1 3 316.379 0.244 10 0 DCAEHM CC(=O)C1([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CC1 ZINC000632446437 417091671 /nfs/dbraw/zinc/09/16/71/417091671.db2.gz HOPATBQLPSCBJP-UHFFFAOYSA-N -1 3 314.363 0.690 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C[C@@H](C)S1=O ZINC000407990527 417134114 /nfs/dbraw/zinc/13/41/14/417134114.db2.gz LQTBFTGUYYUQAG-RKDXNWHRSA-N -1 3 312.395 0.230 10 0 DCAEHM CCOC(=O)[C@@H](CNC(=O)c1c[n-]nn1)Cc1ccccc1 ZINC000195063502 261150402 /nfs/dbraw/zinc/15/04/02/261150402.db2.gz BLTSAWVUIFFGGR-GFCCVEGCSA-N -1 3 302.334 0.957 10 0 DCAEHM CCOC(=O)[C@@H](CNC(=O)c1cnn[n-]1)Cc1ccccc1 ZINC000195063502 261150404 /nfs/dbraw/zinc/15/04/04/261150404.db2.gz BLTSAWVUIFFGGR-GFCCVEGCSA-N -1 3 302.334 0.957 10 0 DCAEHM CCOC(=O)[C@@H](CNC(=O)c1cn[n-]n1)Cc1ccccc1 ZINC000195063502 261150406 /nfs/dbraw/zinc/15/04/06/261150406.db2.gz BLTSAWVUIFFGGR-GFCCVEGCSA-N -1 3 302.334 0.957 10 0 DCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000316855135 261175563 /nfs/dbraw/zinc/17/55/63/261175563.db2.gz IDSIFYFXFLRQLM-FPMFFAJLSA-N -1 3 324.402 0.901 10 0 DCAEHM C[C@@H]1[C@@H](CO)CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000362474187 262038893 /nfs/dbraw/zinc/03/88/93/262038893.db2.gz RDQUMNITPGQPCT-RKDXNWHRSA-N -1 3 303.318 0.805 10 0 DCAEHM CCCn1c(=O)[n-]nc1SCCn1nc2ccccn2c1=O ZINC000358873688 271075390 /nfs/dbraw/zinc/07/53/90/271075390.db2.gz ODYBRQJIKIQVHR-UHFFFAOYSA-N -1 3 320.378 0.995 10 0 DCAEHM CNC(=O)c1sc2[n-]c(-c3cnc(N)cn3)nc(=O)c2c1C ZINC000554521893 288325884 /nfs/dbraw/zinc/32/58/84/288325884.db2.gz XOMCAPPOHZKFFM-UHFFFAOYSA-N -1 3 316.346 0.692 10 0 DCAEHM Cc1cc(C)c2c(c1)CN(C(=O)CN1CC(=O)[N-]C1=O)CC2 ZINC000188653258 524343815 /nfs/dbraw/zinc/34/38/15/524343815.db2.gz NWTILAVRDIEWOU-UHFFFAOYSA-N -1 3 301.346 0.740 10 0 DCAEHM O=C(Nc1n[nH]c2cccc(F)c21)C1CC2(C1)NC(=O)[N-]C2=O ZINC000156446349 527497223 /nfs/dbraw/zinc/49/72/23/527497223.db2.gz KPGLIMYSVJASCW-UHFFFAOYSA-N -1 3 317.280 0.629 10 0 DCAEHM COC(=O)Nc1nc2ccc(S(=O)(=O)C[C@@H](C)O)cc2[n-]1 ZINC000005115938 560200760 /nfs/dbraw/zinc/20/07/60/560200760.db2.gz HXRHOFREEVMBGY-SSDOTTSWSA-N -1 3 313.335 0.318 10 0 in-vitro DCAEHM COC(=O)Nc1nc2cc(S(=O)(=O)C[C@@H](C)O)ccc2[n-]1 ZINC000005115938 560200762 /nfs/dbraw/zinc/20/07/62/560200762.db2.gz HXRHOFREEVMBGY-SSDOTTSWSA-N -1 3 313.335 0.318 10 0 in-vitro DCAEHM NC(=O)Cn1cc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)cn1 ZINC000176688082 658505367 /nfs/dbraw/zinc/50/53/67/658505367.db2.gz FFRJSXWWIBKWMT-AATRIKPKSA-N -1 3 324.337 0.920 10 0 DCAEHM Cc1nc(CC(=O)NCc2ccc3c(c2)OCO3)c(C)c(=O)[n-]1 ZINC000222936519 664395513 /nfs/dbraw/zinc/39/55/13/664395513.db2.gz RABOQFSTEKRMIO-UHFFFAOYSA-N -1 3 315.329 0.974 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000702365911 666945695 /nfs/dbraw/zinc/94/56/95/666945695.db2.gz QEZKPLNDJDJZFZ-SOUVJXGZSA-N -1 3 319.405 0.815 10 0 DCAEHM CN1C[C@H](NC(=O)c2nnc3ccccc3c2[O-])CCC1=O ZINC000130938104 669647650 /nfs/dbraw/zinc/64/76/50/669647650.db2.gz OYJLOOFCVFMLPJ-SECBINFHSA-N -1 3 300.318 0.274 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCCC23OCCO3)nn1 ZINC000716015558 670231065 /nfs/dbraw/zinc/23/10/65/670231065.db2.gz MIUZIUBNTKGFHG-NSHDSACASA-N -1 3 313.379 0.749 10 0 DCAEHM CCc1cc(C(=O)NCCNC(=O)c2ccccc2[O-])[nH]n1 ZINC000097667450 1175931331 /nfs/dbraw/zinc/93/13/31/1175931331.db2.gz JLDAOQDLUKQHSB-UHFFFAOYSA-N -1 3 302.334 0.838 10 0 DCAEHM NC(=O)c1coc(CNC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000588523054 747402546 /nfs/dbraw/zinc/40/25/46/747402546.db2.gz VLHBVPMXHXSCEY-QPEQYQDCSA-N -1 3 311.297 0.779 10 0 DCAEHM COC[C@@]1(C(=O)[O-])CCN(CC2(CS(C)(=O)=O)CC2)C1 ZINC000696833179 954818826 /nfs/dbraw/zinc/81/88/26/954818826.db2.gz QPIIDSGYFCGFLU-CYBMUJFWSA-N -1 3 305.396 0.234 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@H]2C)c(C)o1 ZINC000081782802 192322350 /nfs/dbraw/zinc/32/23/50/192322350.db2.gz MNUNRMBZPJCISG-RKDXNWHRSA-N -1 3 316.379 0.746 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(-c2ncco2)cc1 ZINC000153853684 291208737 /nfs/dbraw/zinc/20/87/37/291208737.db2.gz PIKPHMBAKKFZPB-JTQLQIEISA-N -1 3 300.274 0.878 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cnn(Cc2ccccc2)c1 ZINC000154698189 291215193 /nfs/dbraw/zinc/21/51/93/291215193.db2.gz AGEHTADIRCXPKF-LBPRGKRZSA-N -1 3 313.317 0.468 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1cc2ccccc2o1 ZINC000156250790 291224043 /nfs/dbraw/zinc/22/40/43/291224043.db2.gz ZAVLGDBSAXPEPY-NSHDSACASA-N -1 3 301.302 0.690 10 0 DCAEHM N[C@@H](CS[C@H]1CC(=O)N(c2ccc(O)cc2)C1=O)C(=O)[O-] ZINC000016900360 182063135 /nfs/dbraw/zinc/06/31/35/182063135.db2.gz OKTSLBHSWJQDNJ-UWVGGRQHSA-N -1 3 310.331 0.169 10 0 DCAEHM CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)[O-] ZINC000039796958 183022606 /nfs/dbraw/zinc/02/26/06/183022606.db2.gz YOKVEHGYYQEQOP-GHMZBOCLSA-N -1 3 301.387 0.092 10 0 DCAEHM CCN(CCCNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000042816165 183312138 /nfs/dbraw/zinc/31/21/38/183312138.db2.gz GUFFCOAXUWVNTP-ZDUSSCGKSA-N -1 3 318.377 0.617 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)c1 ZINC000340598206 253282288 /nfs/dbraw/zinc/28/22/88/253282288.db2.gz XALDHDBUCLGPGG-MRVPVSSYSA-N -1 3 301.290 0.495 10 0 DCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC(C2CCOCC2)CC1 ZINC000366706786 132008956 /nfs/dbraw/zinc/00/89/56/132008956.db2.gz DRUHCQNATXCFKT-CYBMUJFWSA-N -1 3 323.393 0.640 10 0 DCAEHM CCN(CC)CCOC(=S)[N-][C@@]1(C)CCS(=O)(=O)C1 ZINC000040166451 395732719 /nfs/dbraw/zinc/73/27/19/395732719.db2.gz CPWDMPNGWZIOCD-LBPRGKRZSA-N -1 3 308.469 0.797 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCc2ncnn2C1)c1ccc(Cl)nc1 ZINC000113298506 395829305 /nfs/dbraw/zinc/82/93/05/395829305.db2.gz ORVFHUVXUHWJHG-MRVPVSSYSA-N -1 3 313.770 0.620 10 0 DCAEHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116982209 395850602 /nfs/dbraw/zinc/85/06/02/395850602.db2.gz LHOAUAOLGMSRKA-LLVKDONJSA-N -1 3 312.391 0.718 10 0 DCAEHM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)[N-]C(C)(C)C(=O)OC ZINC000234608745 395889467 /nfs/dbraw/zinc/88/94/67/395889467.db2.gz XHFOHEMTURXLFN-RKDXNWHRSA-N -1 3 307.368 0.199 10 0 DCAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCN(C2CC2)CC1 ZINC000127168945 395915188 /nfs/dbraw/zinc/91/51/88/395915188.db2.gz NUHMXMJOXWWPTD-UHFFFAOYSA-N -1 3 314.345 0.882 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)cn1C ZINC000118957891 395865294 /nfs/dbraw/zinc/86/52/94/395865294.db2.gz YCPBMQLGKHLUIR-UHFFFAOYSA-N -1 3 316.770 0.881 10 0 DCAEHM CC(C)c1nnnn1CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119856962 395877321 /nfs/dbraw/zinc/87/73/21/395877321.db2.gz AJGGCERVBFLCAR-UHFFFAOYSA-N -1 3 315.341 0.559 10 0 DCAEHM CC(C)c1nnnn1CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119856962 395877323 /nfs/dbraw/zinc/87/73/23/395877323.db2.gz AJGGCERVBFLCAR-UHFFFAOYSA-N -1 3 315.341 0.559 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2[C@H](C)COC[C@@H]2C)cn1 ZINC000274639210 395963857 /nfs/dbraw/zinc/96/38/57/395963857.db2.gz KAFOJVBFFUORQJ-AOOOYVTPSA-N -1 3 313.379 0.239 10 0 DCAEHM C[C@@H](CO)[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000151936184 395996804 /nfs/dbraw/zinc/99/68/04/395996804.db2.gz ROHOTUJYUYKOJS-DTWKUNHWSA-N -1 3 306.409 0.160 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[C@H]2C)s1 ZINC000075980209 396191070 /nfs/dbraw/zinc/19/10/70/396191070.db2.gz LVACZLQUEBFFBL-VXNVDRBHSA-N -1 3 303.409 0.864 10 0 DCAEHM O=C(NCCCCN1CCOCC1)c1cccc2nn[n-]c21 ZINC000182721826 396253358 /nfs/dbraw/zinc/25/33/58/396253358.db2.gz JUNZJZNKFWPVSA-UHFFFAOYSA-N -1 3 303.366 0.800 10 0 DCAEHM O=C(NCCCCN1CCOCC1)c1cccc2[n-]nnc21 ZINC000182721826 396253360 /nfs/dbraw/zinc/25/33/60/396253360.db2.gz JUNZJZNKFWPVSA-UHFFFAOYSA-N -1 3 303.366 0.800 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(C)n2)cn1 ZINC000184719234 396302754 /nfs/dbraw/zinc/30/27/54/396302754.db2.gz QIVPFMZUNVISBG-UHFFFAOYSA-N -1 3 320.374 0.623 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CN(C)CCO2)c(Cl)n1 ZINC000185476358 396328490 /nfs/dbraw/zinc/32/84/90/396328490.db2.gz HABDRJGKKYCHLG-JTQLQIEISA-N -1 3 319.814 0.652 10 0 DCAEHM O=C(NCCc1nnc2n1CCCC2)c1ccc2n[n-]nc2c1 ZINC000186033409 396339827 /nfs/dbraw/zinc/33/98/27/396339827.db2.gz NXMAZBRWWIWFLC-UHFFFAOYSA-N -1 3 311.349 0.858 10 0 DCAEHM COc1ccc(C(=O)[N-]C(=O)CN(C)CC2(CO)CC2)cc1 ZINC000186776111 396357509 /nfs/dbraw/zinc/35/75/09/396357509.db2.gz HLQIIMJIQKMAGC-UHFFFAOYSA-N -1 3 306.362 0.656 10 0 DCAEHM COCCN1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1=O ZINC000192809142 396438139 /nfs/dbraw/zinc/43/81/39/396438139.db2.gz VBMWUDIPIJDJLY-LBPRGKRZSA-N -1 3 308.382 0.732 10 0 DCAEHM CC(=O)c1ncc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)s1 ZINC000581948647 396596125 /nfs/dbraw/zinc/59/61/25/396596125.db2.gz VFWQBKFWQHGILV-MRVPVSSYSA-N -1 3 320.378 0.864 10 0 DCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC2(CCOCC2)CC1 ZINC000375284973 396724111 /nfs/dbraw/zinc/72/41/11/396724111.db2.gz XQLQMYMQVIIILC-LLVKDONJSA-N -1 3 309.366 0.394 10 0 DCAEHM O=S(=O)([N-][C@H]1CCOC[C@@H]1O)c1ccc(Cl)cc1F ZINC000625596665 396942319 /nfs/dbraw/zinc/94/23/19/396942319.db2.gz LMFQUGPTVUXLPY-UWVGGRQHSA-N -1 3 309.746 0.907 10 0 DCAEHM C[C@H](C(=O)[O-])N(C(=O)[C@@H](N)CN(C)Cc1ccccc1)C1CC1 ZINC000630574435 397050897 /nfs/dbraw/zinc/05/08/97/397050897.db2.gz PPCHGWIQZNFFIP-DOMZBBRYSA-N -1 3 319.405 0.910 10 0 DCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NC1CC(CO)C1 ZINC000620889363 397315925 /nfs/dbraw/zinc/31/59/25/397315925.db2.gz RRTUCVNXQDZBQO-UHFFFAOYSA-N -1 3 318.420 0.304 10 0 DCAEHM CCO[C@H]1C[C@]([N-]S(=O)(=O)C2CC2)(C(=O)OC)C1(C)C ZINC000444282591 286549691 /nfs/dbraw/zinc/54/96/91/286549691.db2.gz XTKKUXZLTZGVFQ-GWCFXTLKSA-N -1 3 305.396 0.815 10 0 DCAEHM O=C(Cc1ccc(Cl)cc1)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000083856848 158089177 /nfs/dbraw/zinc/08/91/77/158089177.db2.gz MHZJXQKESDHYER-AWEZNQCLSA-N -1 3 307.737 0.693 10 0 DCAEHM CN(C)[C@H](Cc1ccccc1)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176260920 158435739 /nfs/dbraw/zinc/43/57/39/158435739.db2.gz PVKMYODSLOSHRB-CYBMUJFWSA-N -1 3 317.393 0.320 10 0 DCAEHM C[C@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)CCN1CCO ZINC000328641078 159016572 /nfs/dbraw/zinc/01/65/72/159016572.db2.gz CZVJSKJOVHPNRQ-VIFPVBQESA-N -1 3 307.329 0.236 10 0 DCAEHM C[C@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)CCN1CCO ZINC000328641078 159016573 /nfs/dbraw/zinc/01/65/73/159016573.db2.gz CZVJSKJOVHPNRQ-VIFPVBQESA-N -1 3 307.329 0.236 10 0 DCAEHM O=S(=O)([N-][C@H]1CCCC[C@H]1O)c1cnn2c1OCCC2 ZINC000329740988 159115885 /nfs/dbraw/zinc/11/58/85/159115885.db2.gz VRYFIGWJZJSAMP-VHSXEESVSA-N -1 3 301.368 0.247 10 0 DCAEHM CC(=O)[C@@H](C)CCCCC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000330547476 159190516 /nfs/dbraw/zinc/19/05/16/159190516.db2.gz ZVCLUBCYPQIVAS-CMPLNLGQSA-N -1 3 309.366 0.535 10 0 DCAEHM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2cccc([O-])c2)C1=O ZINC000367998873 159369915 /nfs/dbraw/zinc/36/99/15/159369915.db2.gz IIHNUROZGKWHPZ-BZNIZROVSA-N -1 3 317.345 0.843 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-]C2CCN(C(C)=O)CC2)c1 ZINC000408302493 160080084 /nfs/dbraw/zinc/08/00/84/160080084.db2.gz ZRQDJSPUUGTHAE-UHFFFAOYSA-N -1 3 300.384 0.192 10 0 DCAEHM NS(=O)(=O)c1ccc(CNC(=O)c2cccc([O-])c2)cc1 ZINC000021517189 415155030 /nfs/dbraw/zinc/15/50/30/415155030.db2.gz KPCPPBSNGYEUQX-UHFFFAOYSA-N -1 3 306.343 0.970 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@H](C)COC)s1 ZINC000103429312 415616943 /nfs/dbraw/zinc/61/69/43/415616943.db2.gz NPVUEGBPXLQSIH-MRVPVSSYSA-N -1 3 306.409 0.555 10 0 DCAEHM COCCN(CCN(C)C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000104771960 415625760 /nfs/dbraw/zinc/62/57/60/415625760.db2.gz XRKSWHKRANPZIU-UHFFFAOYSA-N -1 3 318.377 0.573 10 0 DCAEHM C[C@@H]1C[C@@H](S(=O)(=O)[N-][C@@H]2CN(c3ccccc3)C2=O)CCO1 ZINC000333276918 415598950 /nfs/dbraw/zinc/59/89/50/415598950.db2.gz DMFCRKFBNFSMNL-KWCYVHTRSA-N -1 3 324.402 0.889 10 0 DCAEHM Cc1noc(CC[N-]S(=O)(=O)c2cn(CC(C)C)cn2)n1 ZINC000174992733 416091944 /nfs/dbraw/zinc/09/19/44/416091944.db2.gz PPTNAEUKWDGHDC-UHFFFAOYSA-N -1 3 313.383 0.752 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N1CCN3CCCC[C@H]3C1)c2[O-] ZINC000179459296 416189067 /nfs/dbraw/zinc/18/90/67/416189067.db2.gz KKXQPQPEHVVUNZ-NSHDSACASA-N -1 3 315.377 0.984 10 0 DCAEHM O=C(NC1CN(C(=O)NCc2ccc([O-])c(F)c2)C1)C1CC1 ZINC000187212314 416259966 /nfs/dbraw/zinc/25/99/66/416259966.db2.gz DDIHZGNQBGGNDC-UHFFFAOYSA-N -1 3 307.325 0.951 10 0 DCAEHM CC1(C)CN(c2nc3nncc-3c(O)[n-]2)C[C@@]2(CCOC2)O1 ZINC000360248784 416381976 /nfs/dbraw/zinc/38/19/76/416381976.db2.gz JQFYMYIPJGFGEC-CQSZACIVSA-N -1 3 305.338 0.833 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000436713987 416566783 /nfs/dbraw/zinc/56/67/83/416566783.db2.gz GWROXMQUAUWKGA-WDEREUQCSA-N -1 3 322.361 0.887 10 0 DCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)Cc1nc[nH]n1)c2=O ZINC000439511553 416616210 /nfs/dbraw/zinc/61/62/10/416616210.db2.gz JGUAKYAGPFEFCQ-UHFFFAOYSA-N -1 3 313.317 0.927 10 0 DCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)Cc1nnc[nH]1)c2=O ZINC000439511553 416616213 /nfs/dbraw/zinc/61/62/13/416616213.db2.gz JGUAKYAGPFEFCQ-UHFFFAOYSA-N -1 3 313.317 0.927 10 0 DCAEHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@H](CO)C1 ZINC000528861958 417399908 /nfs/dbraw/zinc/39/99/08/417399908.db2.gz LJFCAGPFCPNKBD-NSHDSACASA-N -1 3 316.151 0.988 10 0 DCAEHM CC(=O)N1CCN(C(=O)CNC(=O)c2ccc([O-])cc2)[C@@H](C)C1 ZINC000532184203 417666779 /nfs/dbraw/zinc/66/67/79/417666779.db2.gz SMQSTWKJSADNQV-NSHDSACASA-N -1 3 319.361 0.201 10 0 DCAEHM NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000021010672 261104363 /nfs/dbraw/zinc/10/43/63/261104363.db2.gz BPKTYDXDVCKDKP-UHFFFAOYSA-N -1 3 306.343 0.970 10 0 DCAEHM C[C@]1(C2CCN(C(=O)c3cccc([O-])c3)CC2)NC(=O)NC1=O ZINC000360466582 261835177 /nfs/dbraw/zinc/83/51/77/261835177.db2.gz MTCLVTHHVYMFPC-MRXNPFEDSA-N -1 3 317.345 0.843 10 0 DCAEHM COc1nnc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)[n-]1 ZINC000158186892 524983740 /nfs/dbraw/zinc/98/37/40/524983740.db2.gz OZSITUKXVJYQDH-UHFFFAOYSA-N -1 3 310.335 0.610 10 0 DCAEHM COc1nc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)n[n-]1 ZINC000158186892 524983745 /nfs/dbraw/zinc/98/37/45/524983745.db2.gz OZSITUKXVJYQDH-UHFFFAOYSA-N -1 3 310.335 0.610 10 0 DCAEHM COc1n[n-]c(NC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 ZINC000158186892 524983749 /nfs/dbraw/zinc/98/37/49/524983749.db2.gz OZSITUKXVJYQDH-UHFFFAOYSA-N -1 3 310.335 0.610 10 0 DCAEHM CC(=O)N[C@@H](CC(C)C)C(=O)N[N-]C(=O)c1ncccc1C ZINC000180750536 658335025 /nfs/dbraw/zinc/33/50/25/658335025.db2.gz AOFOCWUKXCDQOK-LBPRGKRZSA-N -1 3 306.366 0.702 10 0 DCAEHM CN1C[C@@H](CC[N-]S(=O)(=O)c2cccnc2F)CC1=O ZINC000723352600 658639938 /nfs/dbraw/zinc/63/99/38/658639938.db2.gz NVNBCJLMIJRVFY-VIFPVBQESA-N -1 3 301.343 0.367 10 0 DCAEHM CN1C[C@@H](CC[N-]S(=O)(=O)c2cccnc2Cl)CC1=O ZINC000723354618 658642918 /nfs/dbraw/zinc/64/29/18/658642918.db2.gz XOZXWAZRSBPGKA-VIFPVBQESA-N -1 3 317.798 0.882 10 0 DCAEHM CNC(=O)[C@@H](NC(=O)c1nnc2ccccc2c1[O-])C(C)C ZINC000178688979 658741923 /nfs/dbraw/zinc/74/19/23/658741923.db2.gz KYGPCLVSRVLTPH-NSHDSACASA-N -1 3 302.334 0.424 10 0 DCAEHM CO[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000713191250 670153920 /nfs/dbraw/zinc/15/39/20/670153920.db2.gz QZHFILOKLOGQPM-KBPBESRZSA-N -1 3 306.362 0.867 10 0 DCAEHM O=C(NCCNC(=O)c1ccccc1[O-])c1ccc(=O)[nH]n1 ZINC000055379546 1171878528 /nfs/dbraw/zinc/87/85/28/1171878528.db2.gz NXSNOUCGNSQKGW-UHFFFAOYSA-N -1 3 302.290 0.048 10 0 DCAEHM COCCOCCCC[N-]S(=O)(=O)c1cccnc1F ZINC000401805507 774066552 /nfs/dbraw/zinc/06/65/52/774066552.db2.gz BLNWOUDLJNJDJU-UHFFFAOYSA-N -1 3 306.359 0.942 10 0 DCAEHM C[C@@H](CNCCOc1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC000697554306 976848413 /nfs/dbraw/zinc/84/84/13/976848413.db2.gz OLYGLTONYURDLC-JTQLQIEISA-N -1 3 301.364 0.786 10 0 DCAEHM C[C@@H]1CC[C@@H](C)N(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000088694421 185262342 /nfs/dbraw/zinc/26/23/42/185262342.db2.gz IHFUZIOBQJGBPH-GHMZBOCLSA-N -1 3 314.411 0.345 10 0 DCAEHM COCCS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000109136214 185553617 /nfs/dbraw/zinc/55/36/17/185553617.db2.gz PCERSHFPKXCVJR-CYBMUJFWSA-N -1 3 314.407 0.252 10 0 DCAEHM Cc1cc(S(=O)(=O)[N-]CCOCC(N)=O)c(Cl)cc1F ZINC000156042544 291223175 /nfs/dbraw/zinc/22/31/75/291223175.db2.gz KNDDRFKOQVMNQB-UHFFFAOYSA-N -1 3 324.761 0.568 10 0 DCAEHM Cc1cc(NC(=O)CN2CC(=O)[N-]C2=O)ccc1C(=O)N(C)C ZINC000265861472 204931031 /nfs/dbraw/zinc/93/10/31/204931031.db2.gz GOIPSIJKNZTVEF-UHFFFAOYSA-N -1 3 318.333 0.187 10 0 DCAEHM CCN1C[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000110787377 194358359 /nfs/dbraw/zinc/35/83/59/194358359.db2.gz FIANRYFVSOQGTF-GFCCVEGCSA-N -1 3 314.349 0.351 10 0 DCAEHM CCN1C[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000110787377 194358360 /nfs/dbraw/zinc/35/83/60/194358360.db2.gz FIANRYFVSOQGTF-GFCCVEGCSA-N -1 3 314.349 0.351 10 0 DCAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F ZINC000349978799 254306786 /nfs/dbraw/zinc/30/67/86/254306786.db2.gz UTCSFLCTEVWREI-ZCFIWIBFSA-N -1 3 321.708 0.665 10 0 DCAEHM CN(C)CCc1nc2ccccc2c(N[C@H](CO)C(=O)[O-])n1 ZINC000001316822 395680755 /nfs/dbraw/zinc/68/07/55/395680755.db2.gz KVSTZXYHPWUNBB-GFCCVEGCSA-N -1 3 304.350 0.591 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c(C)o1 ZINC000089419318 395711471 /nfs/dbraw/zinc/71/14/71/395711471.db2.gz LMPOKMHKRUFFEQ-KCJUWKMLSA-N -1 3 316.379 0.339 10 0 DCAEHM O=C1CCCN1CCCNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000029184714 395697223 /nfs/dbraw/zinc/69/72/23/395697223.db2.gz WMMQCFHZQKJSTQ-SDNWHVSQSA-N -1 3 313.357 0.900 10 0 DCAEHM NC(=O)[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCO1 ZINC000051467388 395850391 /nfs/dbraw/zinc/85/03/91/395850391.db2.gz KNNOPMBTMZBCAV-AWEZNQCLSA-N -1 3 304.346 0.597 10 0 DCAEHM Cc1ccc(C[C@H](C)N(C)C(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000129924372 395921373 /nfs/dbraw/zinc/92/13/73/395921373.db2.gz ZJDVKEXHDKDCNL-LBPRGKRZSA-N -1 3 303.362 0.936 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000119515895 395872439 /nfs/dbraw/zinc/87/24/39/395872439.db2.gz HTFXFUJGUJEDQG-GFCCVEGCSA-N -1 3 319.336 0.769 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C(N)=O)nc2)n[n-]1 ZINC000119872894 395878117 /nfs/dbraw/zinc/87/81/17/395878117.db2.gz MCWPXADUHHFBIQ-UHFFFAOYSA-N -1 3 311.305 0.556 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C(N)=O)nc2)[n-]n1 ZINC000119872894 395878119 /nfs/dbraw/zinc/87/81/19/395878119.db2.gz MCWPXADUHHFBIQ-UHFFFAOYSA-N -1 3 311.305 0.556 10 0 DCAEHM CN1CCO[C@H](CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000171287883 396112936 /nfs/dbraw/zinc/11/29/36/396112936.db2.gz OFXAMJZWKUDFHM-LLVKDONJSA-N -1 3 301.346 0.589 10 0 DCAEHM CC(C)Cc1nsc(N2CCC[C@]3(C2)NC(=O)[N-]C3=O)n1 ZINC000278995964 396146123 /nfs/dbraw/zinc/14/61/23/396146123.db2.gz FFOFEGSPOOGFMM-CYBMUJFWSA-N -1 3 309.395 0.915 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@H]2C)s1 ZINC000075980206 396191091 /nfs/dbraw/zinc/19/10/91/396191091.db2.gz LVACZLQUEBFFBL-APPZFPTMSA-N -1 3 303.409 0.864 10 0 DCAEHM Cc1csc(C2(NC(=O)CN3CC(=O)[N-]C3=O)CCC2)n1 ZINC000265668890 396335743 /nfs/dbraw/zinc/33/57/43/396335743.db2.gz QUSVCRWJVUDABI-UHFFFAOYSA-N -1 3 308.363 0.499 10 0 DCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CNCCO3)cc2)n1 ZINC000187527840 396370354 /nfs/dbraw/zinc/37/03/54/396370354.db2.gz WEYQACXJFFXKOR-CYBMUJFWSA-N -1 3 314.345 0.672 10 0 DCAEHM Cn1c2cc([O-])c(NC(=O)[C@]3(O)CCSC3)cc2n(C)c1=O ZINC000291982859 396523138 /nfs/dbraw/zinc/52/31/38/396523138.db2.gz JYVOBTCDMYOXHP-AWEZNQCLSA-N -1 3 323.374 0.389 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000092910345 158117490 /nfs/dbraw/zinc/11/74/90/158117490.db2.gz BFOGZXCHHTVIGW-JSGCOSHPSA-N -1 3 307.375 0.840 10 0 DCAEHM COCCS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O ZINC000114500523 158154566 /nfs/dbraw/zinc/15/45/66/158154566.db2.gz JCLPMHAXUTVROR-CYBMUJFWSA-N -1 3 312.391 0.748 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCN(C)C(=O)C2)n[n-]1 ZINC000119750128 158190235 /nfs/dbraw/zinc/19/02/35/158190235.db2.gz HBAVPNVHOYJXHK-VIFPVBQESA-N -1 3 302.338 0.617 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCN(C)C(=O)C2)[n-]n1 ZINC000119750128 158190238 /nfs/dbraw/zinc/19/02/38/158190238.db2.gz HBAVPNVHOYJXHK-VIFPVBQESA-N -1 3 302.338 0.617 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@@H](O)C1 ZINC000132678344 158312425 /nfs/dbraw/zinc/31/24/25/158312425.db2.gz GHNWNVQXABOAGY-DGCLKSJQSA-N -1 3 304.346 0.590 10 0 DCAEHM Cn1ccnc1-c1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000136813205 158343654 /nfs/dbraw/zinc/34/36/54/158343654.db2.gz XXPLGNBAOAITOS-NSHDSACASA-N -1 3 313.317 0.624 10 0 DCAEHM C[C@H](CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)N1CCCCC1=O ZINC000328774171 159028098 /nfs/dbraw/zinc/02/80/98/159028098.db2.gz RZBMKDLPAYZUGN-MNOVXSKESA-N -1 3 322.365 0.380 10 0 DCAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)[C@H]1C ZINC000330303193 159158407 /nfs/dbraw/zinc/15/84/07/159158407.db2.gz OZGZNFOLKBWJEO-ONGXEEELSA-N -1 3 321.395 0.988 10 0 DCAEHM Cc1cc(CS(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)no1 ZINC000330467628 159178150 /nfs/dbraw/zinc/17/81/50/159178150.db2.gz SRYWGLOOMSSPJS-MRVPVSSYSA-N -1 3 302.274 0.716 10 0 DCAEHM O=C(C=Cc1cncc([O-])c1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000373119519 159662085 /nfs/dbraw/zinc/66/20/85/159662085.db2.gz BLAWNYRRHYJXOM-OOPCZODUSA-N -1 3 316.361 0.817 10 0 DCAEHM CC[C@@H]1CN(C(=O)c2cncc([O-])c2)C[C@H]1N1CCOCC1 ZINC000408004148 160008847 /nfs/dbraw/zinc/00/88/47/160008847.db2.gz KOSNLSLUIBWYMW-IUODEOHRSA-N -1 3 305.378 0.970 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-]CC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000408175598 160052960 /nfs/dbraw/zinc/05/29/60/160052960.db2.gz VRAOKHGTGVLGEJ-AOOOYVTPSA-N -1 3 308.400 0.272 10 0 DCAEHM C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cn(C)c(=O)[n-]c2=O)C1 ZINC000408221720 160063116 /nfs/dbraw/zinc/06/31/16/160063116.db2.gz KPNIGIUGXGRNRK-HWPZZCPQSA-N -1 3 323.393 0.793 10 0 DCAEHM CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)N2CCC[C@H](C)C2)C1=O ZINC000408341487 160088112 /nfs/dbraw/zinc/08/81/12/160088112.db2.gz RKLXUBXFGNFPON-QWRGUYRKSA-N -1 3 317.411 0.089 10 0 DCAEHM C[C@H]1CCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C[C@H]1O ZINC000408348149 160089798 /nfs/dbraw/zinc/08/97/98/160089798.db2.gz FADIMUCRUCDXJV-NKWVEPMBSA-N -1 3 307.276 0.736 10 0 DCAEHM C[C@H]1CCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C[C@H]1O ZINC000408348149 160089799 /nfs/dbraw/zinc/08/97/99/160089799.db2.gz FADIMUCRUCDXJV-NKWVEPMBSA-N -1 3 307.276 0.736 10 0 DCAEHM C[C@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@H]1O ZINC000408348149 160089800 /nfs/dbraw/zinc/08/98/00/160089800.db2.gz FADIMUCRUCDXJV-NKWVEPMBSA-N -1 3 307.276 0.736 10 0 DCAEHM C[C@@]1(O)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000177365917 287054500 /nfs/dbraw/zinc/05/45/00/287054500.db2.gz NZZLISCDEUSART-CXAGYDPISA-N -1 3 318.373 0.980 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)o1 ZINC000081552032 415483251 /nfs/dbraw/zinc/48/32/51/415483251.db2.gz RPZNTCNPFDLIBO-IUCAKERBSA-N -1 3 316.379 0.746 10 0 DCAEHM C[C@@H]([N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000125868400 415872036 /nfs/dbraw/zinc/87/20/36/415872036.db2.gz YLQLFQKXBRGZAF-GARJFASQSA-N -1 3 322.427 0.660 10 0 DCAEHM Cc1ccc([C@H](C)NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1F ZINC000130855670 415923065 /nfs/dbraw/zinc/92/30/65/415923065.db2.gz XCAXXRVWQGLKMS-ZETCQYMHSA-N -1 3 306.297 0.584 10 0 DCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172938509 416049661 /nfs/dbraw/zinc/04/96/61/416049661.db2.gz WQRAYYPKCQOLFR-BVUQATHDSA-N -1 3 314.341 0.803 10 0 DCAEHM COC(=O)c1cn(C2CN(C(=O)c3cccc([O-])c3)C2)nn1 ZINC000357502537 416088988 /nfs/dbraw/zinc/08/89/88/416088988.db2.gz RSJOYMMSBGJBJN-UHFFFAOYSA-N -1 3 302.290 0.467 10 0 DCAEHM O=C(N[C@H]1CCOC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000178952848 416177894 /nfs/dbraw/zinc/17/78/94/416177894.db2.gz HVTZKURCNLVTOQ-WCQYABFASA-N -1 3 304.346 0.902 10 0 DCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H]1CC[S@@](=O)C1)c2=O ZINC000359445381 416345976 /nfs/dbraw/zinc/34/59/76/416345976.db2.gz XAFXNKZUAILGPP-GTUYJWLHSA-N -1 3 320.370 0.788 10 0 DCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H](CO)C2CC2)cc1 ZINC000359818866 416360629 /nfs/dbraw/zinc/36/06/29/416360629.db2.gz HCAYAEIZJGBDDU-GFCCVEGCSA-N -1 3 312.391 0.806 10 0 DCAEHM CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2cscn2)C1 ZINC000514670356 416670372 /nfs/dbraw/zinc/67/03/72/416670372.db2.gz OKVWRKQSULTHTO-JTQLQIEISA-N -1 3 303.409 0.680 10 0 DCAEHM CCc1cnc(C[N-]S(=O)(=O)C[C@@H]2CNCCO2)s1 ZINC000388257773 417095142 /nfs/dbraw/zinc/09/51/42/417095142.db2.gz KBYUEPCVHIHYTR-VIFPVBQESA-N -1 3 305.425 0.113 10 0 DCAEHM CC[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000408453434 417164145 /nfs/dbraw/zinc/16/41/45/417164145.db2.gz RRMUCLDWNTZXMK-JRPNMDOOSA-N -1 3 309.366 0.392 10 0 DCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@@H](O)C(F)F)c2=O ZINC000438508648 287372044 /nfs/dbraw/zinc/37/20/44/287372044.db2.gz MTMGSOOYAXUIEJ-LLVKDONJSA-N -1 3 312.272 0.893 10 0 DCAEHM COC[C@]1(C(=O)[O-])CCCN1CC1(CS(C)(=O)=O)CC1 ZINC000643878499 417409081 /nfs/dbraw/zinc/40/90/81/417409081.db2.gz VWHICMZAGLVURG-ZDUSSCGKSA-N -1 3 305.396 0.377 10 0 DCAEHM C[C@](O)(CO)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000529227927 417428768 /nfs/dbraw/zinc/42/87/68/417428768.db2.gz JTIYDHWWRCCJNE-LLVKDONJSA-N -1 3 304.140 0.628 10 0 DCAEHM CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000364400181 280088693 /nfs/dbraw/zinc/08/86/93/280088693.db2.gz NRPDVKCWYNCOJU-PGUXBMHVSA-N -1 3 309.366 0.248 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCN(c2ccccc2)CC1 ZINC000111574487 295496067 /nfs/dbraw/zinc/49/60/67/295496067.db2.gz ULTGMMZRBLQLSJ-UHFFFAOYSA-N -1 3 316.361 0.277 10 0 DCAEHM Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)n1 ZINC000408449083 301243518 /nfs/dbraw/zinc/24/35/18/301243518.db2.gz DSCROSRZYMOOAB-NHYWBVRUSA-N -1 3 319.365 0.262 10 0 DCAEHM NC(=O)[C@H]1COCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183691938 303334000 /nfs/dbraw/zinc/33/40/00/303334000.db2.gz ULFMMZJRQLJCEQ-CYBMUJFWSA-N -1 3 304.346 0.597 10 0 DCAEHM O=S(=O)([N-]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccnc1F ZINC000724551379 658452987 /nfs/dbraw/zinc/45/29/87/658452987.db2.gz CIHILRFHZREURW-BBBLOLIVSA-N -1 3 302.327 0.303 10 0 DCAEHM Cc1nc(C)c(CC(=O)O[C@@H](C(=O)N(C)C)C(C)C)c(=O)[n-]1 ZINC000729704041 662907746 /nfs/dbraw/zinc/90/77/46/662907746.db2.gz MZEMHDSPOYSWEQ-CYBMUJFWSA-N -1 3 309.366 0.998 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000702362566 666945872 /nfs/dbraw/zinc/94/58/72/666945872.db2.gz DWOFUSFZWOFOOU-YOEHRIQHSA-N -1 3 319.405 0.769 10 0 DCAEHM Cn1ncnc1N1CC[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000828909924 668140358 /nfs/dbraw/zinc/14/03/58/668140358.db2.gz OTZZSOXSDHAWPF-LLVKDONJSA-N -1 3 315.381 0.905 10 0 DCAEHM NC(=O)[C@@H]1CCC[C@@H](NC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000130246316 669599557 /nfs/dbraw/zinc/59/95/57/669599557.db2.gz CQFDORWCTXBPNC-YMKFKMRUSA-N -1 3 313.357 0.931 10 0 DCAEHM CO[C@H](C(=O)[O-])C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000713250269 670155173 /nfs/dbraw/zinc/15/51/73/670155173.db2.gz HAVUJVIONCCNRX-XBFCOCLRSA-N -1 3 306.362 0.865 10 0 DCAEHM C[C@@H](CNC(=O)c1nnc2ccccc2c1[O-])N1CCOCC1 ZINC000109946091 670981423 /nfs/dbraw/zinc/98/14/23/670981423.db2.gz OPGKGZLOAQZDNF-NSHDSACASA-N -1 3 316.361 0.374 10 0 DCAEHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@H](n2cncn2)C1 ZINC000111613379 671270016 /nfs/dbraw/zinc/27/00/16/671270016.db2.gz VOLPDGOBPHLWQG-NSHDSACASA-N -1 3 324.344 0.992 10 0 DCAEHM O=C1CC[C@@H]([N-]S(=O)(=O)c2cccnc2Cl)CCN1 ZINC000396741100 685270864 /nfs/dbraw/zinc/27/08/64/685270864.db2.gz QCMOSZHOUKBKGS-MRVPVSSYSA-N -1 3 303.771 0.682 10 0 DCAEHM O=C1CC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1 ZINC000396742155 685271055 /nfs/dbraw/zinc/27/10/55/685271055.db2.gz SDRXWWQQSMXZDI-ZETCQYMHSA-N -1 3 321.761 0.821 10 0 DCAEHM CC(C)N(C)C[C@@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689199897 954643600 /nfs/dbraw/zinc/64/36/00/954643600.db2.gz LSDHBPSEKLTPJK-MNOVXSKESA-N -1 3 307.416 0.099 10 0 DCAEHM CC(C)C[C@@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)[O-] ZINC000039796956 183022303 /nfs/dbraw/zinc/02/23/03/183022303.db2.gz YOKVEHGYYQEQOP-WDEREUQCSA-N -1 3 301.387 0.092 10 0 DCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000104898327 194051560 /nfs/dbraw/zinc/05/15/60/194051560.db2.gz RUJYGRLBMIUZLH-GFCCVEGCSA-N -1 3 317.393 0.344 10 0 DCAEHM CN(C)c1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1Cl ZINC000056101203 184004815 /nfs/dbraw/zinc/00/48/15/184004815.db2.gz GKYJHDFGFZLVLC-VIFPVBQESA-N -1 3 310.741 0.943 10 0 DCAEHM C[C@@H]1CCCN(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)C1 ZINC000340596308 253281837 /nfs/dbraw/zinc/28/18/37/253281837.db2.gz OCKNUJMXZFUAKA-BDAKNGLRSA-N -1 3 304.334 0.866 10 0 DCAEHM COc1cccc(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c1[O-] ZINC000285608830 131185965 /nfs/dbraw/zinc/18/59/65/131185965.db2.gz CVNGLCYILPOUEP-OLZOCXBDSA-N -1 3 306.362 0.946 10 0 DCAEHM COC(=O)Cn1cc([N-]S(=O)(=O)N2CCCCCC2)cn1 ZINC000038030636 395731113 /nfs/dbraw/zinc/73/11/13/395731113.db2.gz ORBXXVPDOLIFJH-UHFFFAOYSA-N -1 3 316.383 0.589 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1nc2ccccc2s1 ZINC000042811303 395749105 /nfs/dbraw/zinc/74/91/05/395749105.db2.gz GJZIYNKWAOBGGZ-QMMMGPOBSA-N -1 3 304.331 0.511 10 0 DCAEHM CN(C)C[C@@H](NC(=O)CC[C@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000052555286 395865139 /nfs/dbraw/zinc/86/51/39/395865139.db2.gz CIKAFPVUSHVLCT-CHWSQXEVSA-N -1 3 318.377 0.394 10 0 DCAEHM CN(C)[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(F)cc1 ZINC000137056908 395949981 /nfs/dbraw/zinc/94/99/81/395949981.db2.gz JSPGLNQWYGUZGL-NWDGAFQWSA-N -1 3 322.340 0.143 10 0 DCAEHM Cc1ccc(C[C@H](N)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000169319113 396090404 /nfs/dbraw/zinc/09/04/04/396090404.db2.gz KECAWAXFNFZHBY-KKUMJFAQSA-N -1 3 322.405 0.841 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000176136886 396150487 /nfs/dbraw/zinc/15/04/87/396150487.db2.gz CWIKTFIPYVGSEY-JTQLQIEISA-N -1 3 307.272 0.776 10 0 DCAEHM COc1ccsc1S(=O)(=O)[N-]CCCn1ccnn1 ZINC000183158552 396262861 /nfs/dbraw/zinc/26/28/61/396262861.db2.gz HFBQASIAFMDJGR-UHFFFAOYSA-N -1 3 302.381 0.717 10 0 DCAEHM C[C@](O)(CNC(=O)c1cc(F)ccc1[O-])CN1CCOCC1 ZINC000080035502 396274507 /nfs/dbraw/zinc/27/45/07/396274507.db2.gz JYXOXQVQUABFHM-HNNXBMFYSA-N -1 3 312.341 0.344 10 0 DCAEHM O=C(/C=C/c1cncc([O-])c1)N1CC(NC(=O)C2CCC2)C1 ZINC000189225765 396392270 /nfs/dbraw/zinc/39/22/70/396392270.db2.gz APWZFBXNBHVNFM-SNAWJCMRSA-N -1 3 301.346 0.928 10 0 DCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CO)C1CCC1 ZINC000594800927 396517821 /nfs/dbraw/zinc/51/78/21/396517821.db2.gz JYUQKBZFHJKFSG-SECBINFHSA-N -1 3 319.404 0.974 10 0 DCAEHM CC(C)[C@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)C(=O)[O-] ZINC000630574930 397050243 /nfs/dbraw/zinc/05/02/43/397050243.db2.gz UXKZETKMOCDCTR-LSDHHAIUSA-N -1 3 321.421 0.919 10 0 DCAEHM CN(C)c1ncc([N-]S(=O)(=O)C[C@H]2CCCCO2)cn1 ZINC000133910410 158323552 /nfs/dbraw/zinc/32/35/52/158323552.db2.gz FBBUXNXHEFARKM-LLVKDONJSA-N -1 3 300.384 0.853 10 0 DCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]C[C@@]1(O)CCc2ccccc21 ZINC000248930137 158700841 /nfs/dbraw/zinc/70/08/41/158700841.db2.gz MFXSTUTXJXNSEA-GLQYFDAESA-N -1 3 311.403 0.917 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329479629 159096073 /nfs/dbraw/zinc/09/60/73/159096073.db2.gz QNBHMSAFEPQVTP-NSHDSACASA-N -1 3 322.365 0.240 10 0 DCAEHM CCC[C@@H]([N-]S(=O)(=O)C1COC1)c1nnc2ccccn21 ZINC000330227512 159152625 /nfs/dbraw/zinc/15/26/25/159152625.db2.gz UZSVLUPIQGZOQB-LLVKDONJSA-N -1 3 310.379 0.889 10 0 DCAEHM CC(=O)N1Cc2ccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2C1 ZINC000367030938 159306963 /nfs/dbraw/zinc/30/69/63/159306963.db2.gz SVJKJWFHRSLFOF-LBPRGKRZSA-N -1 3 316.317 0.085 10 0 DCAEHM Cc1ccc(N2C[C@@H](C(=O)[N-]OCC(N)=O)CCC2=O)cc1C ZINC000367399991 159336818 /nfs/dbraw/zinc/33/68/18/159336818.db2.gz BWCRDTHQGKZIAR-LBPRGKRZSA-N -1 3 319.361 0.580 10 0 DCAEHM CN(C)c1nc(C(=O)N2CCN3CCCC[C@@H]3C2)cc(=O)[n-]1 ZINC000407986076 160003573 /nfs/dbraw/zinc/00/35/73/160003573.db2.gz KMRWYFXWOASMQX-LLVKDONJSA-N -1 3 305.382 0.559 10 0 DCAEHM CN(C)c1nc(C(=O)N2CCC(O)(C(F)F)CC2)cc(=O)[n-]1 ZINC000407991850 160005410 /nfs/dbraw/zinc/00/54/10/160005410.db2.gz PYNPVHKZGYUQTQ-UHFFFAOYSA-N -1 3 316.308 0.480 10 0 DCAEHM Cc1noc([C@H](C)[N-]S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)n1 ZINC000408233911 160065319 /nfs/dbraw/zinc/06/53/19/160065319.db2.gz BXTIZMIBFJHICB-YIZRAAEISA-N -1 3 304.372 0.383 10 0 DCAEHM CC(C)(CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)C(F)(F)F ZINC000408328441 160086371 /nfs/dbraw/zinc/08/63/71/160086371.db2.gz GIENRYRUSWKQCV-ZETCQYMHSA-N -1 3 307.272 0.728 10 0 DCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000408410559 160102716 /nfs/dbraw/zinc/10/27/16/160102716.db2.gz URLZTPGEUCCNGH-SECBINFHSA-N -1 3 305.334 0.701 10 0 DCAEHM O=C(c1ccccc1[O-])N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408410455 160102779 /nfs/dbraw/zinc/10/27/79/160102779.db2.gz REMNZGKOIBANTM-YPMHNXCESA-N -1 3 322.336 0.804 10 0 DCAEHM CNS(=O)(=O)NCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000408456895 160112526 /nfs/dbraw/zinc/11/25/26/160112526.db2.gz MBCQFSDUZDAGJI-SECBINFHSA-N -1 3 313.379 0.286 10 0 DCAEHM CCc1ccc([O-])c(C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000135574331 287023569 /nfs/dbraw/zinc/02/35/69/287023569.db2.gz DSCHTXYLLBEPQA-ZDUSSCGKSA-N -1 3 308.378 0.378 10 0 DCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCN(C)C)c(Cl)c1 ZINC000136437482 287026520 /nfs/dbraw/zinc/02/65/20/287026520.db2.gz UNGPHFIEGWFNJL-UHFFFAOYSA-N -1 3 320.798 0.967 10 0 DCAEHM COc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC000105569933 415632861 /nfs/dbraw/zinc/63/28/61/415632861.db2.gz LJDQDQQUIXLMCA-GFCCVEGCSA-N -1 3 306.362 0.948 10 0 DCAEHM COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000329168027 416154224 /nfs/dbraw/zinc/15/42/24/416154224.db2.gz INERUYSLSNZKDH-VHSXEESVSA-N -1 3 308.313 0.973 10 0 DCAEHM COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000329168027 416154227 /nfs/dbraw/zinc/15/42/27/416154227.db2.gz 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/nfs/dbraw/zinc/89/88/71/416898871.db2.gz GUUPYFYSEILQEV-NSHDSACASA-N -1 3 314.363 0.338 10 0 DCAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCN2CCOC[C@H]2C1 ZINC000363965190 262137851 /nfs/dbraw/zinc/13/78/51/262137851.db2.gz DZDHKACIJSKTPV-GFCCVEGCSA-N -1 3 309.341 0.757 10 0 DCAEHM COC[C@](C)([N-]S(=O)(=O)c1ccnn1C)C(F)(F)F ZINC000358798840 271073952 /nfs/dbraw/zinc/07/39/52/271073952.db2.gz LFHLMGCUVFZPGN-QMMMGPOBSA-N -1 3 301.290 0.666 10 0 DCAEHM CCc1noc(C)c1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000388755041 334265956 /nfs/dbraw/zinc/26/59/56/334265956.db2.gz DMTQPUWMOJGAOT-CQSZACIVSA-N -1 3 306.322 0.360 10 0 DCAEHM CN1CC[C@H](CNC(=O)CN2CC(=O)[N-]C2=O)c2ccccc21 ZINC000111575839 523979157 /nfs/dbraw/zinc/97/91/57/523979157.db2.gz ALCXYMNSADRACZ-LLVKDONJSA-N -1 3 316.361 0.278 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCCO1 ZINC000158858746 525511113 /nfs/dbraw/zinc/51/11/13/525511113.db2.gz DLRTVNUJKSKKJC-VIFPVBQESA-N -1 3 302.327 0.656 10 0 DCAEHM O=C(NCCc1ccc(Cl)cc1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000154559255 526402484 /nfs/dbraw/zinc/40/24/84/526402484.db2.gz XFTYWNBSTAENQW-UHFFFAOYSA-N -1 3 321.764 0.987 10 0 DCAEHM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000154118207 526667696 /nfs/dbraw/zinc/66/76/96/526667696.db2.gz ZBPTTWBVUKLHBK-NSHDSACASA-N -1 3 300.384 0.363 10 0 DCAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000228062367 527571875 /nfs/dbraw/zinc/57/18/75/527571875.db2.gz KZLAYOWAEIDGNL-YFKPBYRVSA-N -1 3 307.681 0.275 10 0 DCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccccc1N ZINC000262518650 528854445 /nfs/dbraw/zinc/85/44/45/528854445.db2.gz WBNQIXNFNFBGKH-UHFFFAOYSA-N -1 3 301.368 0.163 10 0 DCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C2(CO)CC2)c(F)c1 ZINC000143169654 545809815 /nfs/dbraw/zinc/80/98/15/545809815.db2.gz GNDPUMBSSYFDCU-UHFFFAOYSA-N -1 3 302.327 0.587 10 0 DCAEHM O=C1[N-]C(=O)[C@]2(CCCN(Cc3nc(-c4ccoc4)no3)C2)N1 ZINC000192658763 545927929 /nfs/dbraw/zinc/92/79/29/545927929.db2.gz KKHYFOFOXWRWQX-CQSZACIVSA-N -1 3 317.305 0.504 10 0 DCAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc2nnnn2c1 ZINC000532672082 546289415 /nfs/dbraw/zinc/28/94/15/546289415.db2.gz DBGDHOLIERQXIN-UHFFFAOYSA-N -1 3 321.304 0.481 10 0 DCAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2nnnn2c1 ZINC000532672082 546289418 /nfs/dbraw/zinc/28/94/18/546289418.db2.gz DBGDHOLIERQXIN-UHFFFAOYSA-N -1 3 321.304 0.481 10 0 DCAEHM CCN1CCC[C@@H](NC(=O)N2CCSC[C@@H]2C(=O)[O-])C1 ZINC000215094895 661777224 /nfs/dbraw/zinc/77/72/24/661777224.db2.gz WIOLUGYFXLBSIQ-GHMZBOCLSA-N -1 3 301.412 0.682 10 0 DCAEHM COc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)s1 ZINC000311670064 664673650 /nfs/dbraw/zinc/67/36/50/664673650.db2.gz HEQLRVNARHSDSM-IUCAKERBSA-N -1 3 306.409 0.981 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000702431087 666956690 /nfs/dbraw/zinc/95/66/90/666956690.db2.gz RKTBPYDJCJZNOY-MGPQQGTHSA-N -1 3 305.378 0.425 10 0 DCAEHM O=S(=O)([N-]CC[C@H]1CCCS1(=O)=O)c1cccnc1F ZINC000714370564 670185395 /nfs/dbraw/zinc/18/53/95/670185395.db2.gz BQSLBYBMBAJMJZ-SECBINFHSA-N -1 3 322.383 0.466 10 0 DCAEHM COC[C@@]1(C(=O)[O-])CCN(CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000696832618 954819312 /nfs/dbraw/zinc/81/93/12/954819312.db2.gz CQFYGLCVSRZROW-WCQYABFASA-N -1 3 305.396 0.234 10 0 DCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000076669683 185030774 /nfs/dbraw/zinc/03/07/74/185030774.db2.gz MQWICHCJFHWZFJ-GFCCVEGCSA-N -1 3 316.427 0.118 10 0 DCAEHM CC(C)Cc1nsc(N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)n1 ZINC000278995969 214558963 /nfs/dbraw/zinc/55/89/63/214558963.db2.gz FFOFEGSPOOGFMM-ZDUSSCGKSA-N -1 3 309.395 0.915 10 0 DCAEHM C[C@H]1CN(C)c2ccccc2N(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000174058792 198286931 /nfs/dbraw/zinc/28/69/31/198286931.db2.gz UNOSKPVZGXIGRB-NSHDSACASA-N -1 3 316.361 0.657 10 0 DCAEHM CN(Cc1cc2ccccc2o1)C(=O)CN1CC(=O)[N-]C1=O ZINC000174694329 198371610 /nfs/dbraw/zinc/37/16/10/198371610.db2.gz SILWHCNUSICFKA-UHFFFAOYSA-N -1 3 301.302 0.943 10 0 DCAEHM CCC(=O)Nc1ccc(C(=O)Nc2cc(=O)[n-]c(=O)[nH]2)cc1 ZINC000005416948 181240968 /nfs/dbraw/zinc/24/09/68/181240968.db2.gz NRABOQVEHGBTFG-UHFFFAOYSA-N -1 3 302.290 0.664 10 0 DCAEHM N[C@H](CS[C@H]1CC(=O)N(c2ccc(O)cc2)C1=O)C(=O)[O-] ZINC000016900361 182062898 /nfs/dbraw/zinc/06/28/98/182062898.db2.gz OKTSLBHSWJQDNJ-ZJUUUORDSA-N -1 3 310.331 0.169 10 0 DCAEHM CC[C@@H](C)[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000042278548 183249278 /nfs/dbraw/zinc/24/92/78/183249278.db2.gz MZIJMRWDTWKVGS-SSDOTTSWSA-N -1 3 310.372 0.550 10 0 DCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](N(C)C)C1 ZINC000104898324 194051256 /nfs/dbraw/zinc/05/12/56/194051256.db2.gz RUJYGRLBMIUZLH-LBPRGKRZSA-N -1 3 317.393 0.344 10 0 DCAEHM COc1nnc(NC(=O)c2nn(C)cc2Br)[n-]1 ZINC000294659519 224148926 /nfs/dbraw/zinc/14/89/26/224148926.db2.gz SSRBPFXOZOLVCJ-UHFFFAOYSA-N -1 3 301.104 0.562 10 0 DCAEHM COc1nc(NC(=O)c2nn(C)cc2Br)n[n-]1 ZINC000294659519 224148928 /nfs/dbraw/zinc/14/89/28/224148928.db2.gz SSRBPFXOZOLVCJ-UHFFFAOYSA-N -1 3 301.104 0.562 10 0 DCAEHM COc1n[n-]c(NC(=O)c2nn(C)cc2Br)n1 ZINC000294659519 224148929 /nfs/dbraw/zinc/14/89/29/224148929.db2.gz SSRBPFXOZOLVCJ-UHFFFAOYSA-N -1 3 301.104 0.562 10 0 DCAEHM O=C([O-])CN1CC[C@H]2CN(C(=O)c3ccsc3)CCO[C@H]2C1 ZINC000247438651 257119675 /nfs/dbraw/zinc/11/96/75/257119675.db2.gz WQPGTFBEAMUEFA-AAEUAGOBSA-N -1 3 324.402 0.996 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000115715215 395840390 /nfs/dbraw/zinc/84/03/90/395840390.db2.gz CYCXLXICLCNLFU-GFCCVEGCSA-N -1 3 316.361 0.323 10 0 DCAEHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000115721027 395840938 /nfs/dbraw/zinc/84/09/38/395840938.db2.gz XPNKZHOBJHREIL-WCQYABFASA-N -1 3 301.346 0.943 10 0 DCAEHM C[C@@H](CO)[C@H](C)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000151936363 395996952 /nfs/dbraw/zinc/99/69/52/395996952.db2.gz ROHOTUJYUYKOJS-IUCAKERBSA-N -1 3 306.409 0.160 10 0 DCAEHM Cc1ccc([C@H](CNC(=O)c2c[n-]nn2)N2CCOCC2)s1 ZINC000176574382 396157392 /nfs/dbraw/zinc/15/73/92/396157392.db2.gz XOEUFLJXEBEMNA-LBPRGKRZSA-N -1 3 321.406 0.978 10 0 DCAEHM Cc1ccc([C@H](CNC(=O)c2cnn[n-]2)N2CCOCC2)s1 ZINC000176574382 396157396 /nfs/dbraw/zinc/15/73/96/396157396.db2.gz XOEUFLJXEBEMNA-LBPRGKRZSA-N -1 3 321.406 0.978 10 0 DCAEHM Cc1ccc([C@H](CNC(=O)c2cn[n-]n2)N2CCOCC2)s1 ZINC000176574382 396157397 /nfs/dbraw/zinc/15/73/97/396157397.db2.gz XOEUFLJXEBEMNA-LBPRGKRZSA-N -1 3 321.406 0.978 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C)(C)CC(N)=O ZINC000186711144 396355917 /nfs/dbraw/zinc/35/59/17/396355917.db2.gz NMCUJWIBDDOTNR-UHFFFAOYSA-N -1 3 308.791 0.314 10 0 DCAEHM CO[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)[C@@](C)(C(=O)[O-])C1 ZINC000634695644 396898320 /nfs/dbraw/zinc/89/83/20/396898320.db2.gz XNZMPVOQTNQMJR-CMPLNLGQSA-N -1 3 305.396 0.375 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](CO)Cc2ccccc2)c1 ZINC000092910382 158116855 /nfs/dbraw/zinc/11/68/55/158116855.db2.gz OWXSUDADOJPAGN-ZDUSSCGKSA-N -1 3 309.391 0.785 10 0 DCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CN(C2CC2)CCO1 ZINC000123616463 158231525 /nfs/dbraw/zinc/23/15/25/158231525.db2.gz VYQMNSCIKOVCTH-LBPRGKRZSA-N -1 3 315.395 0.433 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@H](O)C1 ZINC000123817054 158234415 /nfs/dbraw/zinc/23/44/15/158234415.db2.gz PAQJOXIWJUVMGG-GXTWGEPZSA-N -1 3 318.373 0.980 10 0 DCAEHM C[C@@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127233564 158271053 /nfs/dbraw/zinc/27/10/53/158271053.db2.gz REXUJALSQINQQQ-AAEUAGOBSA-N -1 3 306.362 0.884 10 0 DCAEHM CC(C)[C@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CCN1C ZINC000407991897 160005553 /nfs/dbraw/zinc/00/55/53/160005553.db2.gz QAIZWROOSGDFHO-GFCCVEGCSA-N -1 3 307.398 0.660 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-]CC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000408175599 160052560 /nfs/dbraw/zinc/05/25/60/160052560.db2.gz VRAOKHGTGVLGEJ-NXEZZACHSA-N -1 3 308.400 0.272 10 0 DCAEHM CCc1cnc(C[N-]S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000408303974 160080553 /nfs/dbraw/zinc/08/05/53/160080553.db2.gz VESCPDZDQMKBRV-AOOOYVTPSA-N -1 3 303.384 0.681 10 0 DCAEHM CC1(O)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000408410761 160102994 /nfs/dbraw/zinc/10/29/94/160102994.db2.gz YJUYWSDELYSYLO-LBPRGKRZSA-N -1 3 304.346 0.590 10 0 DCAEHM Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)n1 ZINC000408449084 160109958 /nfs/dbraw/zinc/10/99/58/160109958.db2.gz DSCROSRZYMOOAB-XHDPSFHLSA-N -1 3 319.365 0.262 10 0 DCAEHM Cc1nc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(C)s1 ZINC000408454243 160111728 /nfs/dbraw/zinc/11/17/28/160111728.db2.gz UWBANWNPVJGPGH-ZDUSSCGKSA-N -1 3 308.363 0.574 10 0 DCAEHM Cc1cc(=O)[nH]cc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000131351947 287000119 /nfs/dbraw/zinc/00/01/19/287000119.db2.gz CVRWWCLDCFREGF-UHFFFAOYSA-N -1 3 315.329 0.549 10 0 DCAEHM C[C@H](O)CN1CCN(C(=O)c2cccc3[n-]nnc32)C[C@H]1C ZINC000248416907 287096919 /nfs/dbraw/zinc/09/69/19/287096919.db2.gz QITQNSYTGWFPHH-MNOVXSKESA-N -1 3 303.366 0.485 10 0 DCAEHM C[C@H](O)CN1CCN(C(=O)c2cccc3nn[n-]c32)C[C@H]1C ZINC000248416907 287096921 /nfs/dbraw/zinc/09/69/21/287096921.db2.gz QITQNSYTGWFPHH-MNOVXSKESA-N -1 3 303.366 0.485 10 0 DCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000248863245 287102206 /nfs/dbraw/zinc/10/22/06/287102206.db2.gz ALNXLHLEJIVXBY-XXILOJSOSA-N -1 3 316.354 0.449 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@H](C)COC)s1 ZINC000103429310 415616017 /nfs/dbraw/zinc/61/60/17/415616017.db2.gz NPVUEGBPXLQSIH-QMMMGPOBSA-N -1 3 306.409 0.555 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N[C@H]1CCc3n[nH]cc3C1)c2[O-] ZINC000119252509 415739671 /nfs/dbraw/zinc/73/96/71/415739671.db2.gz LDGONTZEYHPRCZ-VIFPVBQESA-N -1 3 312.333 0.684 10 0 DCAEHM CN(CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@H]1O ZINC000328606236 416123130 /nfs/dbraw/zinc/12/31/30/416123130.db2.gz QUHAEIZQJZJCMJ-KBUPBQIOSA-N -1 3 318.373 0.378 10 0 DCAEHM CCn1c2ccccc2n(CC(=O)Nc2nnc(OC)[n-]2)c1=O ZINC000179376845 416186130 /nfs/dbraw/zinc/18/61/30/416186130.db2.gz QAIUUMQCWLERMB-UHFFFAOYSA-N -1 3 316.321 0.588 10 0 DCAEHM CCn1c2ccccc2n(CC(=O)Nc2n[n-]c(OC)n2)c1=O ZINC000179376845 416186135 /nfs/dbraw/zinc/18/61/35/416186135.db2.gz QAIUUMQCWLERMB-UHFFFAOYSA-N -1 3 316.321 0.588 10 0 DCAEHM CCn1c2ccccc2n(CC(=O)Nc2nc(OC)n[n-]2)c1=O ZINC000179376845 416186138 /nfs/dbraw/zinc/18/61/38/416186138.db2.gz QAIUUMQCWLERMB-UHFFFAOYSA-N -1 3 316.321 0.588 10 0 DCAEHM COc1nnc(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)[n-]1 ZINC000183008199 416234594 /nfs/dbraw/zinc/23/45/94/416234594.db2.gz GACJUXLLQWITCT-UHFFFAOYSA-N -1 3 312.289 0.820 10 0 DCAEHM COc1nc(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)n[n-]1 ZINC000183008199 416234596 /nfs/dbraw/zinc/23/45/96/416234596.db2.gz GACJUXLLQWITCT-UHFFFAOYSA-N -1 3 312.289 0.820 10 0 DCAEHM COc1n[n-]c(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000183008199 416234598 /nfs/dbraw/zinc/23/45/98/416234598.db2.gz GACJUXLLQWITCT-UHFFFAOYSA-N -1 3 312.289 0.820 10 0 DCAEHM CCc1cc2c(CN3C[C@@H](O)C[C@@H]3CO)cc(=O)oc2cc1[O-] ZINC000185176777 416254836 /nfs/dbraw/zinc/25/48/36/416254836.db2.gz XYEHFOOQDMFNEE-OLZOCXBDSA-N -1 3 319.357 0.989 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000436719038 416567132 /nfs/dbraw/zinc/56/71/32/416567132.db2.gz YPHAXKIJIORQRG-NXEZZACHSA-N -1 3 308.334 0.578 10 0 DCAEHM O=C1[N-]C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]12 ZINC000538712058 416574051 /nfs/dbraw/zinc/57/40/51/416574051.db2.gz HLMVINWOAHCPTH-NSHDSACASA-N -1 3 303.318 0.194 10 0 DCAEHM Cc1[nH]c2ccccc2c1C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000368658553 416679651 /nfs/dbraw/zinc/67/96/51/416679651.db2.gz LYIIDROLBXVVIS-INIZCTEOSA-N -1 3 312.329 0.900 10 0 DCAEHM C/C=C\C[C@H]([N-]S(=O)(=O)C1(COC)CC1)C(=O)OCC ZINC000451395757 417342013 /nfs/dbraw/zinc/34/20/13/417342013.db2.gz XBCPLUJHUMQQAA-QZPNVGJNSA-N -1 3 305.396 0.983 10 0 DCAEHM COc1ccc2[nH]c(C(=O)NCCCc3nc(=O)[n-][nH]3)cc2c1 ZINC000190546654 261134951 /nfs/dbraw/zinc/13/49/51/261134951.db2.gz DOONRAGFNXHFNO-UHFFFAOYSA-N -1 3 315.333 0.951 10 0 DCAEHM C[C@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000393021067 262161424 /nfs/dbraw/zinc/16/14/24/262161424.db2.gz RLEZUTBMQFTSPY-HQJQHLMTSA-N -1 3 304.318 0.910 10 0 DCAEHM CCn1c(=O)c2ccc(C(=O)[O-])cc2nc1N1CCNCC1 ZINC000040351753 288673956 /nfs/dbraw/zinc/67/39/56/288673956.db2.gz GIMQNVSDNZKASR-UHFFFAOYSA-N -1 3 302.334 0.524 10 0 DCAEHM C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000332994346 338561975 /nfs/dbraw/zinc/56/19/75/338561975.db2.gz NFSHKIWZJBSBRI-JNIYBQFBSA-N -1 3 324.381 0.326 10 0 DCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@H](C(N)=O)c1ccc(F)cc1 ZINC000190475064 525577380 /nfs/dbraw/zinc/57/73/80/525577380.db2.gz ALNXLHLEJIVXBY-UWJYBYFXSA-N -1 3 316.354 0.449 10 0 DCAEHM Cc1nc(C)c(CCC(=O)N2[C@H](C)CN(C)C[C@H]2C)c(=O)[n-]1 ZINC000155664325 526708829 /nfs/dbraw/zinc/70/88/29/526708829.db2.gz HUDUUXMRHFJCHF-GHMZBOCLSA-N -1 3 306.410 0.870 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1[O-] ZINC000331314203 527245047 /nfs/dbraw/zinc/24/50/47/527245047.db2.gz CPAFPDDANBUABO-NSHDSACASA-N -1 3 306.362 0.733 10 0 DCAEHM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000702556972 666968804 /nfs/dbraw/zinc/96/88/04/666968804.db2.gz UHYREMWCSIQRHK-SNVBAGLBSA-N -1 3 312.750 0.550 10 0 DCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCC1CC(O)C1 ZINC000091524900 545717813 /nfs/dbraw/zinc/71/78/13/545717813.db2.gz HFMQBWTZXAQQKZ-UHFFFAOYSA-N -1 3 318.420 0.304 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCc2c(Cl)cccc2C1 ZINC000162983925 291245935 /nfs/dbraw/zinc/24/59/35/291245935.db2.gz FKVUNIHMBFDSIP-NSHDSACASA-N -1 3 307.737 0.823 10 0 DCAEHM CC(C)C[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000042278612 183249516 /nfs/dbraw/zinc/24/95/16/183249516.db2.gz UGBLGOYXFLLUAF-UHFFFAOYSA-N -1 3 310.372 0.407 10 0 DCAEHM C[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)N1CCc2ccccc21 ZINC000042726545 183302640 /nfs/dbraw/zinc/30/26/40/183302640.db2.gz XCLANHOKVNOSJF-JQWIXIFHSA-N -1 3 316.361 0.152 10 0 DCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCN2CCCC[C@H]2C1 ZINC000104845421 194046590 /nfs/dbraw/zinc/04/65/90/194046590.db2.gz RZVRHYKRRUNGTL-LBPRGKRZSA-N -1 3 313.357 0.881 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)C[C@H](C)O1 ZINC000340596657 253281857 /nfs/dbraw/zinc/28/18/57/253281857.db2.gz OWBXTBZTHJLHOX-HRDYMLBCSA-N -1 3 320.333 0.243 10 0 DCAEHM CCN1C[C@@H](C(=O)[O-])C(=O)c2cc(F)c(N3CCNCC3)cc21 ZINC000028643015 285434694 /nfs/dbraw/zinc/43/46/94/285434694.db2.gz NFGPPHBSSDCMOL-LLVKDONJSA-N -1 3 321.352 0.959 10 0 DCAEHM COc1cccc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c1[O-] ZINC000285608841 131186590 /nfs/dbraw/zinc/18/65/90/131186590.db2.gz CVNGLCYILPOUEP-STQMWFEESA-N -1 3 306.362 0.946 10 0 DCAEHM O=S(=O)([N-]C[C@]1(CCO)CCOC1)c1ccccc1F ZINC000120158364 132139680 /nfs/dbraw/zinc/13/96/80/132139680.db2.gz GUYOZGJWAFUHRT-ZDUSSCGKSA-N -1 3 303.355 0.893 10 0 DCAEHM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000195327198 395824344 /nfs/dbraw/zinc/82/43/44/395824344.db2.gz BLIQYWVJARIAOO-LBPRGKRZSA-N -1 3 323.418 0.978 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@@H]1c1nccs1 ZINC000134830257 395935466 /nfs/dbraw/zinc/93/54/66/395935466.db2.gz LPTCECSYTWIDNY-SECBINFHSA-N -1 3 308.363 0.749 10 0 DCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@H]1CCN(c2ccccc2)C1=O ZINC000248990740 396001201 /nfs/dbraw/zinc/00/12/01/396001201.db2.gz XCZAJQFGMBLBTA-FPMFFAJLSA-N -1 3 324.402 0.889 10 0 DCAEHM CC1CCC(OCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CC1 ZINC000373656022 396605110 /nfs/dbraw/zinc/60/51/10/396605110.db2.gz KYSAMSLNKBWUAH-ZEPSKSRBSA-N -1 3 323.393 0.782 10 0 DCAEHM COC1(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CCCCC1 ZINC000366083132 292086046 /nfs/dbraw/zinc/08/60/46/292086046.db2.gz JKWGFTXBSCFAFA-CQSZACIVSA-N -1 3 309.366 0.536 10 0 DCAEHM CCN1CCN(C(=O)c2cc(C)nc(=O)[n-]2)C[C@@H]1c1ncc[nH]1 ZINC000328627150 396824910 /nfs/dbraw/zinc/82/49/10/396824910.db2.gz MLNZUBKGDWRKMF-GFCCVEGCSA-N -1 3 316.365 0.733 10 0 DCAEHM CCCN(CC(=O)[O-])C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000630571013 397048175 /nfs/dbraw/zinc/04/81/75/397048175.db2.gz HFFVQKXBFNGVJU-CQSZACIVSA-N -1 3 307.394 0.769 10 0 DCAEHM CCCCCCOCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000364601326 397225225 /nfs/dbraw/zinc/22/52/25/397225225.db2.gz OXFJDVFPVMOZAO-OAHLLOKOSA-N -1 3 311.382 0.784 10 0 DCAEHM CN(CC(=O)[O-])C[C@H]1CN(CCOc2ccccc2)CCO1 ZINC000370508781 397496176 /nfs/dbraw/zinc/49/61/76/397496176.db2.gz OBPYJHNIQVCMFF-HNNXBMFYSA-N -1 3 308.378 0.783 10 0 DCAEHM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)NC(C)C)(C(=O)OC)C1(C)C ZINC000444280440 286310178 /nfs/dbraw/zinc/31/01/78/286310178.db2.gz HUWRCHJTJJUZSE-ZWNOBZJWSA-N -1 3 322.427 0.566 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cc(-c2ccccc2)on1 ZINC000120218982 158194588 /nfs/dbraw/zinc/19/45/88/158194588.db2.gz LAKNALZRZAWKFD-VIFPVBQESA-N -1 3 300.274 0.878 10 0 DCAEHM Cc1cc(C(=O)N2CCn3c(nnc3C3CC3)C2)[n-]c(=O)n1 ZINC000329420039 159091813 /nfs/dbraw/zinc/09/18/13/159091813.db2.gz FBBUAXRSZWFKDB-UHFFFAOYSA-N -1 3 300.322 0.616 10 0 DCAEHM O=c1[n-]c(C2CCN(C[C@@H](O)COCC(F)(F)F)CC2)n[nH]1 ZINC000368396400 159391824 /nfs/dbraw/zinc/39/18/24/159391824.db2.gz CIIPCLUSGCURRK-SECBINFHSA-N -1 3 324.303 0.630 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cn1C ZINC000408237751 160067123 /nfs/dbraw/zinc/06/71/23/160067123.db2.gz OURKGWBPWMYFEH-JMJZKYOTSA-N -1 3 312.395 0.016 10 0 DCAEHM Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)n1 ZINC000408449072 160110079 /nfs/dbraw/zinc/11/00/79/160110079.db2.gz DSCROSRZYMOOAB-ABAIWWIYSA-N -1 3 319.365 0.262 10 0 DCAEHM C[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(F)cc1F ZINC000123355919 286959879 /nfs/dbraw/zinc/95/98/79/286959879.db2.gz HHQCWACUNSCDAV-CPCISQLKSA-N -1 3 311.288 0.783 10 0 DCAEHM O=C(Nc1cccnc1N1CCC(CO)CC1)c1cnn[n-]1 ZINC000131402064 287000460 /nfs/dbraw/zinc/00/04/60/287000460.db2.gz RIRBFOJSNJZUSV-UHFFFAOYSA-N -1 3 302.338 0.661 10 0 DCAEHM O=C(Nc1cccnc1N1CCC(CO)CC1)c1c[n-]nn1 ZINC000131402064 287000462 /nfs/dbraw/zinc/00/04/62/287000462.db2.gz RIRBFOJSNJZUSV-UHFFFAOYSA-N -1 3 302.338 0.661 10 0 DCAEHM O=C(Nc1cccnc1N1CCC(CO)CC1)c1cn[n-]n1 ZINC000131402064 287000464 /nfs/dbraw/zinc/00/04/64/287000464.db2.gz RIRBFOJSNJZUSV-UHFFFAOYSA-N -1 3 302.338 0.661 10 0 DCAEHM C[C@H]1CC[C@@H](C(=O)NCC[N-]S(=O)(=O)c2cccs2)O1 ZINC000133211876 287009586 /nfs/dbraw/zinc/00/95/86/287009586.db2.gz VTNGOAMLRQWMRD-UWVGGRQHSA-N -1 3 318.420 0.710 10 0 DCAEHM Cc1nc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c(=O)[nH]c1C ZINC000136272661 287025816 /nfs/dbraw/zinc/02/58/16/287025816.db2.gz FWJVEKIRUOXDSW-UHFFFAOYSA-N -1 3 311.305 0.819 10 0 DCAEHM Cc1nc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c(=O)[nH]c1C ZINC000136272661 287025817 /nfs/dbraw/zinc/02/58/17/287025817.db2.gz FWJVEKIRUOXDSW-UHFFFAOYSA-N -1 3 311.305 0.819 10 0 DCAEHM Cc1nc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c(=O)[nH]c1C ZINC000136272661 287025818 /nfs/dbraw/zinc/02/58/18/287025818.db2.gz FWJVEKIRUOXDSW-UHFFFAOYSA-N -1 3 311.305 0.819 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(-c2ncco2)cc1 ZINC000153232242 287048505 /nfs/dbraw/zinc/04/85/05/287048505.db2.gz KAAPRFRAPDGVQW-UHFFFAOYSA-N -1 3 300.274 0.832 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCOC2)ccc1F ZINC000084188156 415491142 /nfs/dbraw/zinc/49/11/42/415491142.db2.gz YSMKXECVRKJWDV-SNVBAGLBSA-N -1 3 316.354 0.643 10 0 DCAEHM CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1=O ZINC000333194330 415581408 /nfs/dbraw/zinc/58/14/08/415581408.db2.gz SZQRQZBUFGHOBG-RHYQMDGZSA-N -1 3 314.407 0.630 10 0 DCAEHM CN1CCC[C@H]1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291512217 415832155 /nfs/dbraw/zinc/83/21/55/415832155.db2.gz ISXNJPOGZHXCRW-JTQLQIEISA-N -1 3 304.350 0.615 10 0 DCAEHM O=C(NC[C@H]1CCCC[C@H]1O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000122137828 415827851 /nfs/dbraw/zinc/82/78/51/415827851.db2.gz XEACBHQPELQCAK-ZWNOBZJWSA-N -1 3 302.330 0.851 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(Cc1ccccc1F)C1CC1 ZINC000153782138 415988296 /nfs/dbraw/zinc/98/82/96/415988296.db2.gz LVKYPHXWYBMNDK-LBPRGKRZSA-N -1 3 305.309 0.915 10 0 DCAEHM COc1nnc(NC(=O)Cn2cnc3sccc3c2=O)[n-]1 ZINC000158900577 416004370 /nfs/dbraw/zinc/00/43/70/416004370.db2.gz NCPZVUZDCNXWON-UHFFFAOYSA-N -1 3 306.307 0.223 10 0 DCAEHM COc1nc(NC(=O)Cn2cnc3sccc3c2=O)n[n-]1 ZINC000158900577 416004374 /nfs/dbraw/zinc/00/43/74/416004374.db2.gz NCPZVUZDCNXWON-UHFFFAOYSA-N -1 3 306.307 0.223 10 0 DCAEHM COc1n[n-]c(NC(=O)Cn2cnc3sccc3c2=O)n1 ZINC000158900577 416004376 /nfs/dbraw/zinc/00/43/76/416004376.db2.gz NCPZVUZDCNXWON-UHFFFAOYSA-N -1 3 306.307 0.223 10 0 DCAEHM COCCCOC1CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC000176507835 416128089 /nfs/dbraw/zinc/12/80/89/416128089.db2.gz AMSRHZFPGMRPBX-UHFFFAOYSA-N -1 3 323.393 0.583 10 0 DCAEHM CNC(=O)[C@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(C)C ZINC000178923996 416177700 /nfs/dbraw/zinc/17/77/00/416177700.db2.gz XGYVSONXNUWXHK-GFCCVEGCSA-N -1 3 316.427 0.588 10 0 DCAEHM C[C@H]1C[C@H](c2cccnc2)N(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000182170378 416216154 /nfs/dbraw/zinc/21/61/54/416216154.db2.gz KMYARBRENVYJGP-ZMLRMANQSA-N -1 3 302.334 0.589 10 0 DCAEHM CC(=O)N1CCC[C@H]1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331129579 416270258 /nfs/dbraw/zinc/27/02/58/416270258.db2.gz RTBKQRHUAAFGKW-ZETCQYMHSA-N -1 3 305.260 0.451 10 0 DCAEHM CC(=O)N1CCC[C@H]1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331129579 416270260 /nfs/dbraw/zinc/27/02/60/416270260.db2.gz RTBKQRHUAAFGKW-ZETCQYMHSA-N -1 3 305.260 0.451 10 0 DCAEHM CC(=O)N1CCC[C@H]1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331129579 416270262 /nfs/dbraw/zinc/27/02/62/416270262.db2.gz RTBKQRHUAAFGKW-ZETCQYMHSA-N -1 3 305.260 0.451 10 0 DCAEHM C[C@H]1COCC[C@@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000192787049 416311358 /nfs/dbraw/zinc/31/13/58/416311358.db2.gz HZTYJEHAIDEUKR-FZMZJTMJSA-N -1 3 306.362 0.911 10 0 DCAEHM CC(C)CC[C@](C)(O)CNC(=O)C(=O)[N-]c1cnns1 ZINC000192029021 416297123 /nfs/dbraw/zinc/29/71/23/416297123.db2.gz HCHNAAXFWAJGDX-LBPRGKRZSA-N -1 3 300.384 0.780 10 0 DCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC[C@@H](C)O ZINC000228672528 416327885 /nfs/dbraw/zinc/32/78/85/416327885.db2.gz LKHZNVLMJRVKCM-MRVPVSSYSA-N -1 3 305.327 0.662 10 0 DCAEHM CC(C)(C)c1nc([N-][C@@H]2CCN(C3CCOCC3)C2=O)no1 ZINC000364657468 416591285 /nfs/dbraw/zinc/59/12/85/416591285.db2.gz UVRYNEFIPPATAN-LLVKDONJSA-N -1 3 308.382 1.559 10 0 DCAEHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCN2C(=O)CC[C@H]2C1 ZINC000613158867 416675245 /nfs/dbraw/zinc/67/52/45/416675245.db2.gz IBTKOLPEFGRFPA-JTQLQIEISA-N -1 3 300.318 0.715 10 0 DCAEHM CCOC(=O)c1nnsc1[N-]C(=O)COc1cnn(C)c1 ZINC000443492983 416764342 /nfs/dbraw/zinc/76/43/42/416764342.db2.gz VQNSNWWXZNPMHR-UHFFFAOYSA-N -1 3 311.323 0.466 10 0 DCAEHM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)C2CC2)(C(=O)OC)C1(C)C ZINC000444282594 416825600 /nfs/dbraw/zinc/82/56/00/416825600.db2.gz XTKKUXZLTZGVFQ-ZWNOBZJWSA-N -1 3 305.396 0.815 10 0 DCAEHM COC(=O)C1([N-]S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CCCC1 ZINC000408238090 417148139 /nfs/dbraw/zinc/14/81/39/417148139.db2.gz SVSTYIBFJCEBCK-WDEREUQCSA-N -1 3 320.411 0.416 10 0 DCAEHM CCOC(=O)[C@H]1CN(C(=O)c2c([O-])cccc2O)CC12COC2 ZINC000452265512 417464818 /nfs/dbraw/zinc/46/48/18/417464818.db2.gz QQGJRIKQIOJZDT-SNVBAGLBSA-N -1 3 321.329 0.750 10 0 DCAEHM CC(C)C[C@H](CN(C)C)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000187177130 279122230 /nfs/dbraw/zinc/12/22/30/279122230.db2.gz CIFGGXVYUBPJNH-SECBINFHSA-N -1 3 301.416 0.283 10 0 DCAEHM CC(=O)c1cccc(NC(=O)CN2C(=O)NC(=O)C2(C)C)c1[O-] ZINC000561964591 288554381 /nfs/dbraw/zinc/55/43/81/288554381.db2.gz ZKDKCAHSTAOBQR-UHFFFAOYSA-N -1 3 319.317 0.864 10 0 DCAEHM CC(=O)NC1CN(C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C1 ZINC000190612192 519648996 /nfs/dbraw/zinc/64/89/96/519648996.db2.gz XBYKNFQGMFSDCD-UHFFFAOYSA-N -1 3 317.320 0.936 10 0 DCAEHM COC[C@@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000245421725 522370423 /nfs/dbraw/zinc/37/04/23/522370423.db2.gz OEMFFZWFILKLLX-GRYCIOLGSA-N -1 3 318.395 0.911 10 0 DCAEHM CN(C(=O)CC[C@@H]1NC(=O)[N-]C1=O)[C@H]1CCCc2c1cnn2C ZINC000154824956 523808157 /nfs/dbraw/zinc/80/81/57/523808157.db2.gz HYAWRGZYHSGHGQ-QWRGUYRKSA-N -1 3 319.365 0.244 10 0 DCAEHM CN(C(=O)CC[C@H]1NC(=O)[N-]C1=O)[C@@H]1CCCc2c1cnn2C ZINC000154824622 523808430 /nfs/dbraw/zinc/80/84/30/523808430.db2.gz HYAWRGZYHSGHGQ-GHMZBOCLSA-N -1 3 319.365 0.244 10 0 DCAEHM Cc1cccc([C@@H]2CCCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000157783685 524844798 /nfs/dbraw/zinc/84/47/98/524844798.db2.gz JIBZACQBMAMEPE-RYUDHWBXSA-N -1 3 302.334 0.652 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000128277523 526721224 /nfs/dbraw/zinc/72/12/24/526721224.db2.gz RGMCKHBMLXCCHQ-CYBMUJFWSA-N -1 3 301.346 0.629 10 0 DCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c1 ZINC000153331382 528616703 /nfs/dbraw/zinc/61/67/03/528616703.db2.gz MUADUVYBYWFOME-SNVBAGLBSA-N -1 3 300.384 0.363 10 0 DCAEHM CCc1nccn1CCCNC(=O)Cc1nc[n-]c(=O)c1C ZINC000222948174 664396648 /nfs/dbraw/zinc/39/66/48/664396648.db2.gz NHYJPTVNOIFCJQ-UHFFFAOYSA-N -1 3 303.366 0.586 10 0 DCAEHM O=C(c1nnc2ccccc2c1[O-])N1CCO[C@]2(CCOC2)C1 ZINC000186090979 666676350 /nfs/dbraw/zinc/67/63/50/666676350.db2.gz OCZGOYJDQOKSDD-MRXNPFEDSA-N -1 3 315.329 0.555 10 0 DCAEHM O=S(=O)([N-]CC[C@]1(O)CCOC1)c1cccnc1Cl ZINC000404229708 774127175 /nfs/dbraw/zinc/12/71/75/774127175.db2.gz NRMSZOZEBXGDFO-NSHDSACASA-N -1 3 306.771 0.555 10 0 DCAEHM CN1CCC[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694172719 976675143 /nfs/dbraw/zinc/67/51/43/976675143.db2.gz PCVBFEHWPMKDKU-VIFPVBQESA-N -1 3 302.352 0.598 10 0 DCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC2(C)C)c1 ZINC000088592695 185258721 /nfs/dbraw/zinc/25/87/21/185258721.db2.gz DSNWJCXIAPANAP-UHFFFAOYSA-N -1 3 300.384 0.099 10 0 DCAEHM CCc1nnc([C@H]2CN(C(=O)c3cncc([O-])c3)CCO2)[nH]1 ZINC000173756713 198248524 /nfs/dbraw/zinc/24/85/24/198248524.db2.gz NBSBFYAPKYEOPH-LLVKDONJSA-N -1 3 303.322 0.681 10 0 DCAEHM CCc1nc([C@H]2CN(C(=O)c3cncc([O-])c3)CCO2)n[nH]1 ZINC000173756713 198248526 /nfs/dbraw/zinc/24/85/26/198248526.db2.gz NBSBFYAPKYEOPH-LLVKDONJSA-N -1 3 303.322 0.681 10 0 DCAEHM Cc1ccc2c(c1)[C@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@H](C)C2 ZINC000181113116 199254023 /nfs/dbraw/zinc/25/40/23/199254023.db2.gz JBVDCVXVMFLEOA-MEBBXXQBSA-N -1 3 301.346 0.896 10 0 DCAEHM C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000282657612 291185777 /nfs/dbraw/zinc/18/57/77/291185777.db2.gz VDHSEVFOTHEYCJ-RDDDGLTNSA-N -1 3 304.318 0.910 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000109940008 194299861 /nfs/dbraw/zinc/29/98/61/194299861.db2.gz GHRUTMJCWMGZSO-YUMQZZPRSA-N -1 3 307.272 0.776 10 0 DCAEHM CCN(CC)CCOC(=S)[N-]C[C@@H]1CCS(=O)(=O)C1 ZINC000040166440 395732673 /nfs/dbraw/zinc/73/26/73/395732673.db2.gz QQQSTKRLAJKVAC-NSHDSACASA-N -1 3 308.469 0.654 10 0 DCAEHM COC(=O)Cn1cc([N-]S(=O)(=O)N2CCC[C@@H](C)C2)cn1 ZINC000038030632 395730964 /nfs/dbraw/zinc/73/09/64/395730964.db2.gz IHFBAHUDFCMGPR-SNVBAGLBSA-N -1 3 316.383 0.445 10 0 DCAEHM O=c1[n-]c(=O)n(Cc2nc(C3CC3)no2)cc1Br ZINC000111458774 395808670 /nfs/dbraw/zinc/80/86/70/395808670.db2.gz OBIHHDXBQHTLAX-UHFFFAOYSA-N -1 3 313.111 0.608 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000111538951 395808982 /nfs/dbraw/zinc/80/89/82/395808982.db2.gz BUYPZHRNTZGNGI-LLVKDONJSA-N -1 3 320.349 0.085 10 0 DCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000245445337 395928692 /nfs/dbraw/zinc/92/86/92/395928692.db2.gz YUROLMRTWJQVEV-GRYCIOLGSA-N -1 3 319.365 0.471 10 0 DCAEHM Cn1cc(C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(=O)[n-]c1=O ZINC000273607584 395933152 /nfs/dbraw/zinc/93/31/52/395933152.db2.gz OMJFVXKSDPFAGL-MNOVXSKESA-N -1 3 309.366 0.355 10 0 DCAEHM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CNCC[C@H]1C ZINC000261618229 396049287 /nfs/dbraw/zinc/04/92/87/396049287.db2.gz BLJQPDDGPAFQAI-SFYZADRCSA-N -1 3 319.408 0.206 10 0 DCAEHM C[C@@](O)(CNC(=O)c1cc(F)ccc1[O-])CN1CCOCC1 ZINC000080035496 396274341 /nfs/dbraw/zinc/27/43/41/396274341.db2.gz JYXOXQVQUABFHM-OAHLLOKOSA-N -1 3 312.341 0.344 10 0 DCAEHM CNC(=O)[C@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCO1 ZINC000184579732 396299639 /nfs/dbraw/zinc/29/96/39/396299639.db2.gz NYFRHRHYUHTOCA-CQSZACIVSA-N -1 3 318.373 0.858 10 0 DCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C)s1 ZINC000287689532 396416452 /nfs/dbraw/zinc/41/64/52/396416452.db2.gz FDNQHDGISYEZQX-SVRRBLITSA-N -1 3 305.381 0.557 10 0 DCAEHM Cc1nc([C@@H]2CCCN2C(=O)CN2CC(=O)[N-]C2=O)cs1 ZINC000188108006 396379052 /nfs/dbraw/zinc/37/90/52/396379052.db2.gz OUTYAHPJAHYHPW-JTQLQIEISA-N -1 3 308.363 0.667 10 0 DCAEHM COC[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000027472439 157983170 /nfs/dbraw/zinc/98/31/70/157983170.db2.gz VJIXYEADYDSHEQ-UWVGGRQHSA-N -1 3 318.370 0.644 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)CCN1CCO ZINC000328641077 159016872 /nfs/dbraw/zinc/01/68/72/159016872.db2.gz CZVJSKJOVHPNRQ-SECBINFHSA-N -1 3 307.329 0.236 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)CCN1CCO ZINC000328641077 159016873 /nfs/dbraw/zinc/01/68/73/159016873.db2.gz CZVJSKJOVHPNRQ-SECBINFHSA-N -1 3 307.329 0.236 10 0 DCAEHM CCc1cnc(C[N-]S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)o1 ZINC000408334697 160086841 /nfs/dbraw/zinc/08/68/41/160086841.db2.gz BXIBCTGHTORXES-NXEZZACHSA-N -1 3 303.384 0.681 10 0 DCAEHM C[C@H]1CCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C[C@@H]1O ZINC000408348148 160089358 /nfs/dbraw/zinc/08/93/58/160089358.db2.gz FADIMUCRUCDXJV-BQBZGAKWSA-N -1 3 307.276 0.736 10 0 DCAEHM C[C@H]1CCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C[C@@H]1O ZINC000408348148 160089361 /nfs/dbraw/zinc/08/93/61/160089361.db2.gz FADIMUCRUCDXJV-BQBZGAKWSA-N -1 3 307.276 0.736 10 0 DCAEHM C[C@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@@H]1O ZINC000408348148 160089365 /nfs/dbraw/zinc/08/93/65/160089365.db2.gz FADIMUCRUCDXJV-BQBZGAKWSA-N -1 3 307.276 0.736 10 0 DCAEHM NC(=O)C1(O)CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000408410330 160102536 /nfs/dbraw/zinc/10/25/36/160102536.db2.gz OAOMQYRMWWRHCK-UHFFFAOYSA-N -1 3 318.373 0.723 10 0 DCAEHM CC1(C)Cc2ccc(C(=O)N3CCO[C@H](C(N)=O)C3)c([O-])c2O1 ZINC000408410670 160103012 /nfs/dbraw/zinc/10/30/12/160103012.db2.gz WMAXVOCMGPYKFF-NSHDSACASA-N -1 3 320.345 0.432 10 0 DCAEHM C[C@H](O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127529503 415888028 /nfs/dbraw/zinc/88/80/28/415888028.db2.gz LSIDRSBYQJIVPO-WCQYABFASA-N -1 3 306.362 0.884 10 0 DCAEHM Cc1ccc(C(C)(C)CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000133966215 415952312 /nfs/dbraw/zinc/95/23/12/415952312.db2.gz AIYDRGISLPINPT-LBPRGKRZSA-N -1 3 303.362 0.987 10 0 DCAEHM Cc1ccc(CNC(=O)C2CC3(C2)NC(=O)[N-]C3=O)c(C)c1 ZINC000154995091 415992919 /nfs/dbraw/zinc/99/29/19/415992919.db2.gz VWTZKNQKWKBIFW-UHFFFAOYSA-N -1 3 301.346 0.908 10 0 DCAEHM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000300422533 416072302 /nfs/dbraw/zinc/07/23/02/416072302.db2.gz HRLFYWKUBWNXNN-CSMHCCOUSA-N -1 3 319.301 0.171 10 0 DCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1sccc1OC)C(C)C ZINC000178929567 416177175 /nfs/dbraw/zinc/17/71/75/416177175.db2.gz WEOMZTJXKNGMEB-VIFPVBQESA-N -1 3 306.409 0.806 10 0 DCAEHM COC(=O)[C@H]1C[C@@H](OC)CN1CCC[N-]C(=O)C(F)(F)F ZINC000180648177 416199263 /nfs/dbraw/zinc/19/92/63/416199263.db2.gz QNXHDKFZKIOSRN-RKDXNWHRSA-N -1 3 312.288 0.317 10 0 DCAEHM Cc1nn(-c2ccccc2)cc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000181244334 416204249 /nfs/dbraw/zinc/20/42/49/416204249.db2.gz GJRMNLMBGWNKDJ-NSHDSACASA-N -1 3 313.317 0.717 10 0 DCAEHM COc1nnc(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)[n-]1 ZINC000182992517 416234688 /nfs/dbraw/zinc/23/46/88/416234688.db2.gz QUMMXMSLVNVIFF-SECBINFHSA-N -1 3 303.322 0.960 10 0 DCAEHM COc1nc(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)n[n-]1 ZINC000182992517 416234692 /nfs/dbraw/zinc/23/46/92/416234692.db2.gz QUMMXMSLVNVIFF-SECBINFHSA-N -1 3 303.322 0.960 10 0 DCAEHM COc1n[n-]c(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)n1 ZINC000182992517 416234695 /nfs/dbraw/zinc/23/46/95/416234695.db2.gz QUMMXMSLVNVIFF-SECBINFHSA-N -1 3 303.322 0.960 10 0 DCAEHM CCn1c2ccc(C)cc2nc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000182499062 416225239 /nfs/dbraw/zinc/22/52/39/416225239.db2.gz RXPGOQJUORPQLN-JTQLQIEISA-N -1 3 315.333 0.901 10 0 DCAEHM O=C(CNC(=O)C1CC1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000532673228 416447996 /nfs/dbraw/zinc/44/79/96/416447996.db2.gz ZGISJXAPEKIIMH-UHFFFAOYSA-N -1 3 300.322 0.255 10 0 DCAEHM O=C(CNC(=O)C1CC1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000532673228 416448001 /nfs/dbraw/zinc/44/80/01/416448001.db2.gz ZGISJXAPEKIIMH-UHFFFAOYSA-N -1 3 300.322 0.255 10 0 DCAEHM COC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000525261987 417132571 /nfs/dbraw/zinc/13/25/71/417132571.db2.gz PEVWKKDPJUIINO-LBPRGKRZSA-N -1 3 320.345 0.534 10 0 DCAEHM COc1cc(C(N)=O)ccc1[N-]S(=O)(=O)N1CCC[C@H]1C ZINC000451114186 417299489 /nfs/dbraw/zinc/29/94/89/417299489.db2.gz KCMLDAQDPJIEAP-SECBINFHSA-N -1 3 313.379 0.935 10 0 DCAEHM NC(=O)c1coc(C[N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000188244860 261125833 /nfs/dbraw/zinc/12/58/33/261125833.db2.gz RFHFNMVXYMCCAA-JTQLQIEISA-N -1 3 302.352 0.367 10 0 DCAEHM O=S(=O)([N-]Cc1cccc(N2CCOCC2)n1)c1c[nH]cn1 ZINC000548150549 288116641 /nfs/dbraw/zinc/11/66/41/288116641.db2.gz BCCRFXXMQWQDDE-UHFFFAOYSA-N -1 3 323.378 0.120 10 0 DCAEHM Cc1cc([N-]C(=O)[C@@H](C)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)on1 ZINC000329210115 301356516 /nfs/dbraw/zinc/35/65/16/301356516.db2.gz ZJKJBTQXXHRTKR-OUAUKWLOSA-N -1 3 313.379 0.429 10 0 DCAEHM CN(C(=O)CC[C@H]1NC(=O)[N-]C1=O)[C@H]1CCCc2c1cnn2C ZINC000154824734 523807739 /nfs/dbraw/zinc/80/77/39/523807739.db2.gz HYAWRGZYHSGHGQ-MNOVXSKESA-N -1 3 319.365 0.244 10 0 DCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CC[C@@H](C)O)c(F)c1 ZINC000086014407 545706614 /nfs/dbraw/zinc/70/66/14/545706614.db2.gz FEQANWBFJWWRDL-MRVPVSSYSA-N -1 3 304.343 0.833 10 0 DCAEHM NC(=O)Cn1cc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)cn1 ZINC000255632989 658421789 /nfs/dbraw/zinc/42/17/89/658421789.db2.gz FFRJSXWWIBKWMT-WAYWQWQTSA-N -1 3 324.337 0.920 10 0 DCAEHM CC(C)[C@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)N(C)C ZINC000732338969 664913781 /nfs/dbraw/zinc/91/37/81/664913781.db2.gz BGGVNAJCKMYQAW-LBPRGKRZSA-N -1 3 318.329 0.840 10 0 DCAEHM CC[C@@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)C(=O)[O-] ZINC000702400912 666954637 /nfs/dbraw/zinc/95/46/37/666954637.db2.gz JVJHLAOLMNUJLS-KBPBESRZSA-N -1 3 307.394 0.673 10 0 DCAEHM COc1nnc(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)[n-]1 ZINC000886059682 667727829 /nfs/dbraw/zinc/72/78/29/667727829.db2.gz SGQMKHOVNVSTKS-ONGXEEELSA-N -1 3 320.353 0.880 10 0 DCAEHM COc1nc(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)n[n-]1 ZINC000886059682 667727831 /nfs/dbraw/zinc/72/78/31/667727831.db2.gz SGQMKHOVNVSTKS-ONGXEEELSA-N -1 3 320.353 0.880 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)n1 ZINC000886059682 667727833 /nfs/dbraw/zinc/72/78/33/667727833.db2.gz SGQMKHOVNVSTKS-ONGXEEELSA-N -1 3 320.353 0.880 10 0 DCAEHM CN1C[C@@H](NC(=O)c2nnc3ccccc3c2[O-])CCC1=O ZINC000130938298 669647552 /nfs/dbraw/zinc/64/75/52/669647552.db2.gz OYJLOOFCVFMLPJ-VIFPVBQESA-N -1 3 300.318 0.274 10 0 DCAEHM O=C(N[C@H]1CCc2ncnn2C1)c1nnc2ccccc2c1[O-] ZINC000112725307 670646736 /nfs/dbraw/zinc/64/67/36/670646736.db2.gz JVEUMGPHMBRBGX-VIFPVBQESA-N -1 3 310.317 0.259 10 0 DCAEHM O=S(=O)([N-]CC[C@]1(O)CCOC1)c1cnc(Cl)c(F)c1 ZINC000404219854 747442278 /nfs/dbraw/zinc/44/22/78/747442278.db2.gz KDRCECCTGGTZNA-NSHDSACASA-N -1 3 324.761 0.694 10 0 DCAEHM COC[C@@]1(C(=O)[O-])CCN(CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000696832617 954819078 /nfs/dbraw/zinc/81/90/78/954819078.db2.gz CQFYGLCVSRZROW-DGCLKSJQSA-N -1 3 305.396 0.234 10 0 DCAEHM O=C(N[C@@H]1CCCn2ncnc21)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000176135046 284049929 /nfs/dbraw/zinc/04/99/29/284049929.db2.gz MLDPHWMQHLRVRS-LLVKDONJSA-N -1 3 311.301 0.427 10 0 DCAEHM Cc1cccc2c(CCNC(=O)C[C@@H]3NC(=O)[N-]C3=O)c[nH]c21 ZINC000038691065 183006317 /nfs/dbraw/zinc/00/63/17/183006317.db2.gz SMLVTOYIPFGBCQ-LBPRGKRZSA-N -1 3 314.345 0.733 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)c1 ZINC000340598207 253281875 /nfs/dbraw/zinc/28/18/75/253281875.db2.gz XALDHDBUCLGPGG-QMMMGPOBSA-N -1 3 301.290 0.495 10 0 DCAEHM C[C@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286507259 219026594 /nfs/dbraw/zinc/02/65/94/219026594.db2.gz AFNAALJXODSOOF-MUWHJKNJSA-N -1 3 321.761 0.820 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCc2ncnn2C1)c1ccc(F)cc1F ZINC000113299151 395828971 /nfs/dbraw/zinc/82/89/71/395828971.db2.gz QQHHCRDETNTJDJ-SECBINFHSA-N -1 3 314.317 0.850 10 0 DCAEHM CN(CCCCNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000056146974 395927209 /nfs/dbraw/zinc/92/72/09/395927209.db2.gz ABAIVNNKWZRXPU-ZDUSSCGKSA-N -1 3 318.377 0.617 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2CCN(c3cccnn3)CC2)n1 ZINC000119745277 395875244 /nfs/dbraw/zinc/87/52/44/395875244.db2.gz IFGQLEQBJIPURY-UHFFFAOYSA-N -1 3 300.366 0.857 10 0 DCAEHM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]CC(=O)N1CCc2ccccc21 ZINC000135562991 395941319 /nfs/dbraw/zinc/94/13/19/395941319.db2.gz GESUDJVIOIVXIV-RISCZKNCSA-N -1 3 324.402 0.673 10 0 DCAEHM C[C@@H](CO)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000247007924 395963769 /nfs/dbraw/zinc/96/37/69/395963769.db2.gz ZBIPQYYRZJLCIU-AEJSXWLSSA-N -1 3 320.436 0.548 10 0 DCAEHM Cc1cc(=O)[n-]c(CNc2nccc(N3CCC[C@@H](O)C3)n2)n1 ZINC000065382985 395992975 /nfs/dbraw/zinc/99/29/75/395992975.db2.gz YCAGVXICOWAQID-LLVKDONJSA-N -1 3 316.365 0.442 10 0 DCAEHM NCc1nc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)no1 ZINC000262028224 396091460 /nfs/dbraw/zinc/09/14/60/396091460.db2.gz GRDVNINUJGPAJX-UHFFFAOYSA-N -1 3 317.349 0.192 10 0 DCAEHM Cc1c(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cnn1C1CCCC1 ZINC000192726548 396436482 /nfs/dbraw/zinc/43/64/82/396436482.db2.gz VSXVQWXPYGXGDB-JTQLQIEISA-N -1 3 305.338 0.843 10 0 DCAEHM O=S(=O)([N-]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1c[nH]cn1 ZINC000374734360 396683427 /nfs/dbraw/zinc/68/34/27/396683427.db2.gz IOCUVQSEDQOUAX-CMPLNLGQSA-N -1 3 315.395 0.256 10 0 DCAEHM O=S(=O)([N-]CCCN1CCCS1(=O)=O)c1cccs1 ZINC000585808992 396660273 /nfs/dbraw/zinc/66/02/73/396660273.db2.gz DTYFJOQQOIDOAF-UHFFFAOYSA-N -1 3 324.449 0.452 10 0 DCAEHM C[C@@H]1CCC[C@H](OCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000572690141 397084159 /nfs/dbraw/zinc/08/41/59/397084159.db2.gz OYTRWYBFMAZUIF-BFQNTYOBSA-N -1 3 323.393 0.782 10 0 DCAEHM CCO[C@H]1C[C@@]([N-]S(=O)(=O)NC2CC2)(C(=O)OC)C1(C)C ZINC000444275423 397415327 /nfs/dbraw/zinc/41/53/27/397415327.db2.gz CLNSGBRREGFJSR-GXFFZTMASA-N -1 3 320.411 0.320 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-]CCCCCC(=O)OC)c1 ZINC000081685231 158085892 /nfs/dbraw/zinc/08/58/92/158085892.db2.gz FGVNYTJHLLAEFZ-UHFFFAOYSA-N -1 3 303.384 0.915 10 0 DCAEHM O=C(c1cc2c(s1)CCC2)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000083856757 158088348 /nfs/dbraw/zinc/08/83/48/158088348.db2.gz SJYMOBGURGWFMT-AWEZNQCLSA-N -1 3 305.359 0.661 10 0 DCAEHM CN(C)C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CCO1 ZINC000116928824 158169081 /nfs/dbraw/zinc/16/90/81/158169081.db2.gz ZKZHPOVCSSPKRU-NSHDSACASA-N -1 3 316.361 0.326 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H](O)C(C)C ZINC000126259204 158263394 /nfs/dbraw/zinc/26/33/94/158263394.db2.gz UTCAHPXQFXUGBV-SNVBAGLBSA-N -1 3 319.379 0.978 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000328735715 159025601 /nfs/dbraw/zinc/02/56/01/159025601.db2.gz ZEVTUSWWOVKQNW-RYUDHWBXSA-N -1 3 320.324 0.941 10 0 DCAEHM CN1CCO[C@H]2CCN(C(=O)c3cc(F)cc4[n-]nnc43)C[C@@H]21 ZINC000329206644 159073203 /nfs/dbraw/zinc/07/32/03/159073203.db2.gz XLMYXWJTRSANKT-STQMWFEESA-N -1 3 319.340 0.642 10 0 DCAEHM CN1CCO[C@H]2CCN(C(=O)c3cc(F)cc4nn[n-]c43)C[C@@H]21 ZINC000329206644 159073204 /nfs/dbraw/zinc/07/32/04/159073204.db2.gz XLMYXWJTRSANKT-STQMWFEESA-N -1 3 319.340 0.642 10 0 DCAEHM CN1CCO[C@H]2CCN(C(=O)c3cc(F)cc4n[n-]nc43)C[C@@H]21 ZINC000329206644 159073207 /nfs/dbraw/zinc/07/32/07/159073207.db2.gz XLMYXWJTRSANKT-STQMWFEESA-N -1 3 319.340 0.642 10 0 DCAEHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2cccc([O-])c2)C1=O ZINC000367998859 159369706 /nfs/dbraw/zinc/36/97/06/159369706.db2.gz IIHNUROZGKWHPZ-BDJLRTHQSA-N -1 3 317.345 0.843 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-]CC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC000408238443 160067203 /nfs/dbraw/zinc/06/72/03/160067203.db2.gz XHRHTRDLHALONP-VHSXEESVSA-N -1 3 308.400 0.272 10 0 DCAEHM CN(C)c1nc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc(=O)[n-]1 ZINC000408242360 160067753 /nfs/dbraw/zinc/06/77/53/160067753.db2.gz STEJNBDGSKMJNJ-FXAINCCUSA-N -1 3 306.366 0.792 10 0 DCAEHM Cn1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(=O)[n-]c1=O ZINC000408349180 160089864 /nfs/dbraw/zinc/08/98/64/160089864.db2.gz GZAPEPLDJYCFHF-ZUZCIYMTSA-N -1 3 307.350 0.253 10 0 DCAEHM COc1ccc(O)cc1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000408454610 160112205 /nfs/dbraw/zinc/11/22/05/160112205.db2.gz VMYIZABSRUHPJL-OAHLLOKOSA-N -1 3 319.317 0.215 10 0 DCAEHM CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCc2nc(=O)[n-][nH]2)nn1 ZINC000276326147 415471391 /nfs/dbraw/zinc/47/13/91/415471391.db2.gz PWVABBYXIZGQRF-VHSXEESVSA-N -1 3 321.385 0.190 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000120146860 415757356 /nfs/dbraw/zinc/75/73/56/415757356.db2.gz DEXYIDBKRLRQNP-CYBMUJFWSA-N -1 3 303.366 0.842 10 0 DCAEHM O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000122137171 415827568 /nfs/dbraw/zinc/82/75/68/415827568.db2.gz XEACBHQPELQCAK-GWCFXTLKSA-N -1 3 302.330 0.851 10 0 DCAEHM Cc1c(NC(=O)CN2CC(=O)[N-]C2=O)cnn1-c1ccccc1 ZINC000129170377 415907191 /nfs/dbraw/zinc/90/71/91/415907191.db2.gz NDJVZFMLKDQTKX-UHFFFAOYSA-N -1 3 313.317 0.671 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000129307475 415907841 /nfs/dbraw/zinc/90/78/41/415907841.db2.gz YLQLFQKXBRGZAF-DCAQKATOSA-N -1 3 322.427 0.660 10 0 DCAEHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCCn3ncnc32)c[nH]1 ZINC000328610477 416123031 /nfs/dbraw/zinc/12/30/31/416123031.db2.gz HYTBKBGYKMCFPQ-SECBINFHSA-N -1 3 310.383 0.938 10 0 DCAEHM COc1nnc(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)[n-]1 ZINC000179362623 416186784 /nfs/dbraw/zinc/18/67/84/416186784.db2.gz IPDRBHBYQWWGBM-MXWKQRLJSA-N -1 3 311.386 0.886 10 0 DCAEHM COc1nc(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)n[n-]1 ZINC000179362623 416186787 /nfs/dbraw/zinc/18/67/87/416186787.db2.gz IPDRBHBYQWWGBM-MXWKQRLJSA-N -1 3 311.386 0.886 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000179362623 416186788 /nfs/dbraw/zinc/18/67/88/416186788.db2.gz IPDRBHBYQWWGBM-MXWKQRLJSA-N -1 3 311.386 0.886 10 0 DCAEHM COC(=O)[C@@H]1C[C@H](OC)CN1CCC[N-]C(=O)C(F)(F)F ZINC000180648241 416199493 /nfs/dbraw/zinc/19/94/93/416199493.db2.gz QNXHDKFZKIOSRN-IUCAKERBSA-N -1 3 312.288 0.317 10 0 DCAEHM CCn1c2ccc(C)cc2nc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000182503804 416225328 /nfs/dbraw/zinc/22/53/28/416225328.db2.gz WKPQROZEJLITRJ-UHFFFAOYSA-N -1 3 315.333 0.855 10 0 DCAEHM CC(C)NC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262051767 416336017 /nfs/dbraw/zinc/33/60/17/416336017.db2.gz AKNSJXUDHPXTMH-ZIBATOQPSA-N -1 3 311.382 0.796 10 0 DCAEHM CC(=O)C1([N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 ZINC000632448868 417096184 /nfs/dbraw/zinc/09/61/84/417096184.db2.gz IEUGTZAXNXHLBB-UHFFFAOYSA-N -1 3 322.386 0.552 10 0 DCAEHM COc1cncc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1C ZINC000632865486 417282361 /nfs/dbraw/zinc/28/23/61/417282361.db2.gz KIRPDCMGLULJFJ-LLVKDONJSA-N -1 3 316.365 0.917 10 0 DCAEHM CCOC(=O)[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])CC12COC2 ZINC000452614778 287482685 /nfs/dbraw/zinc/48/26/85/287482685.db2.gz QITJDZHRFHWSQM-LBPRGKRZSA-N -1 3 321.329 0.750 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCOC1 ZINC000179201958 261112054 /nfs/dbraw/zinc/11/20/54/261112054.db2.gz KZFNTGICXQNDIB-UWVGGRQHSA-N -1 3 316.354 0.398 10 0 DCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H]1CC[S@](=O)C1)c2=O ZINC000359445379 261745897 /nfs/dbraw/zinc/74/58/97/261745897.db2.gz XAFXNKZUAILGPP-CLTRCRFRSA-N -1 3 320.370 0.788 10 0 DCAEHM COc1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1[O-] ZINC000391340998 262160507 /nfs/dbraw/zinc/16/05/07/262160507.db2.gz CUCGQDDYZGFZLK-OAHLLOKOSA-N -1 3 319.317 0.215 10 0 DCAEHM O=C(/C=C\c1cncc([O-])c1)N1CC(NC(=O)C2CCC2)C1 ZINC000492736049 272146712 /nfs/dbraw/zinc/14/67/12/272146712.db2.gz APWZFBXNBHVNFM-PLNGDYQASA-N -1 3 301.346 0.928 10 0 DCAEHM NS(=O)(=O)c1cccc(-c2ccc(F)nc2)c1-c1nnn[n-]1 ZINC000584597087 337374326 /nfs/dbraw/zinc/37/43/26/337374326.db2.gz YPOXOCQUNAZIHZ-UHFFFAOYSA-N -1 3 320.309 0.715 10 0 DCAEHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cnn(-c2ncccn2)c1 ZINC000185252268 533721597 /nfs/dbraw/zinc/72/15/97/533721597.db2.gz OQFNDTICWFDRGY-SNVBAGLBSA-N -1 3 308.367 0.803 10 0 DCAEHM Cc1cc(-n2cccn2)ccc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000191129574 545924990 /nfs/dbraw/zinc/92/49/90/545924990.db2.gz HKWUQAHHILPZCV-UHFFFAOYSA-N -1 3 313.317 0.671 10 0 DCAEHM O=S(=O)([N-][C@H]1CNOC1)c1ccc(Br)s1 ZINC000722488083 661273415 /nfs/dbraw/zinc/27/34/15/661273415.db2.gz ZXOFFJOTFUXLFC-YFKPBYRVSA-N -1 3 313.198 0.692 10 0 DCAEHM CC(C)[C@H](OC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)N(C)C ZINC000729711946 662907624 /nfs/dbraw/zinc/90/76/24/662907624.db2.gz AXMDOVMERDKACZ-AWEZNQCLSA-N -1 3 322.361 0.778 10 0 DCAEHM CCN1CCO[C@@H](C[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000134897414 667556668 /nfs/dbraw/zinc/55/66/68/667556668.db2.gz DHIJXFIRBDJASZ-JTQLQIEISA-N -1 3 319.814 0.734 10 0 DCAEHM C[C@H]1COCC[C@H]1C(=O)NCCNC(=O)c1ccccc1[O-] ZINC000192787785 1187962621 /nfs/dbraw/zinc/96/26/21/1187962621.db2.gz NWCGWXOFESZENS-NWDGAFQWSA-N -1 3 306.362 0.911 10 0 DCAEHM CS(=O)(=O)N1CC[C@H](CN2CCSC[C@@H]2CC(=O)[O-])C1 ZINC000690831710 976338163 /nfs/dbraw/zinc/33/81/63/976338163.db2.gz PZPUCUYBFXKHOG-MNOVXSKESA-N -1 3 322.452 0.160 10 0 DCAEHM CSCC[C@@H](N)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000697123122 976831491 /nfs/dbraw/zinc/83/14/91/976831491.db2.gz NBFPSKDUQUXQOM-SECBINFHSA-N -1 3 300.384 0.722 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)c(C)o1 ZINC000081782800 192323248 /nfs/dbraw/zinc/32/32/48/192323248.db2.gz MNUNRMBZPJCISG-IUCAKERBSA-N -1 3 316.379 0.746 10 0 DCAEHM C[C@@H]1CC[C@H](C)CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000088694422 185262363 /nfs/dbraw/zinc/26/23/63/185262363.db2.gz IHFUZIOBQJGBPH-WDEREUQCSA-N -1 3 314.411 0.345 10 0 DCAEHM CCCN(C[C@@H]1CCCCO1)C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000329551730 283278903 /nfs/dbraw/zinc/27/89/03/283278903.db2.gz ANUNJKCGAYDPQQ-VIFPVBQESA-N -1 3 310.354 0.891 10 0 DCAEHM COC(=O)c1cc(Nc2nc[n-]c(=O)c2N)cc(C(=O)OC)c1 ZINC000040705846 183120848 /nfs/dbraw/zinc/12/08/48/183120848.db2.gz XRWHTGQUFUKZIN-UHFFFAOYSA-N -1 3 318.289 0.669 10 0 DCAEHM COc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c([O-])c1 ZINC000286177382 218831759 /nfs/dbraw/zinc/83/17/59/218831759.db2.gz IFIIMFRRANMFKI-NEPJUHHUSA-N -1 3 305.334 0.639 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)C[C@H](C)O1 ZINC000340596676 253281707 /nfs/dbraw/zinc/28/17/07/253281707.db2.gz OWBXTBZTHJLHOX-YIZRAAEISA-N -1 3 320.333 0.243 10 0 DCAEHM O=C1N[C@@H](c2cc([O-])ccc2Br)N2CCOC[C@@H]12 ZINC000093884236 296388368 /nfs/dbraw/zinc/38/83/68/296388368.db2.gz NAGJCHFOPVPFPF-WDEREUQCSA-N -1 3 313.151 0.984 10 0 DCAEHM COc1ccc([O-])c(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000105569964 220438099 /nfs/dbraw/zinc/43/80/99/220438099.db2.gz BAKSPQPWTAHPQZ-GFCCVEGCSA-N -1 3 306.362 0.948 10 0 DCAEHM CCOCCn1cc(I)c(=O)[n-]c1=O ZINC000086788563 395704924 /nfs/dbraw/zinc/70/49/24/395704924.db2.gz AUTPNWAIWLVXTM-UHFFFAOYSA-N -1 3 310.091 0.178 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(C(F)(F)F)cc1 ZINC000042817148 395749199 /nfs/dbraw/zinc/74/91/99/395749199.db2.gz UIYLREDFILBIOU-VIFPVBQESA-N -1 3 315.251 0.920 10 0 DCAEHM COc1cc(Cc2c(N)nc(N)[n-]c2=O)cc(OC)c1OC ZINC000097975063 395761281 /nfs/dbraw/zinc/76/12/81/395761281.db2.gz LVHDAYVZBWCTEV-MRVPVSSYSA-N -1 3 306.322 0.083 10 0 DCAEHM CC(C)c1nnc2n1C[C@H]([N-]S(=O)(=O)c1cn(C)cn1)CC2 ZINC000272383381 395887435 /nfs/dbraw/zinc/88/74/35/395887435.db2.gz SECIBWSODZKMSL-SNVBAGLBSA-N -1 3 324.410 0.428 10 0 DCAEHM COC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000154957851 396045426 /nfs/dbraw/zinc/04/54/26/396045426.db2.gz KDXGXJRPBKMLJU-SECBINFHSA-N -1 3 306.409 0.425 10 0 DCAEHM Cc1cccc(C(C)(C)CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000155142682 396048058 /nfs/dbraw/zinc/04/80/58/396048058.db2.gz ADTXAJWJDNNGLA-LBPRGKRZSA-N -1 3 303.362 0.987 10 0 DCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCCc1cccc(F)c1 ZINC000068498194 396057960 /nfs/dbraw/zinc/05/79/60/396057960.db2.gz RCORRBHQERCXKU-LBPRGKRZSA-N -1 3 307.325 0.863 10 0 DCAEHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CN(C)CCO1 ZINC000184275272 396289343 /nfs/dbraw/zinc/28/93/43/396289343.db2.gz HTAYMNSKNYZAAY-LLVKDONJSA-N -1 3 302.371 0.743 10 0 DCAEHM COc1cc(C(=O)N2CCN3CCOC[C@H]3C2)cc(OC)c1[O-] ZINC000373398989 396589023 /nfs/dbraw/zinc/58/90/23/396589023.db2.gz NKCOARLNNYHRHM-GFCCVEGCSA-N -1 3 322.361 0.566 10 0 DCAEHM O=S1(=O)[N-]C(CN2CCN(C3CC3)CC2)=Nc2ccccc21 ZINC000328881424 396834035 /nfs/dbraw/zinc/83/40/35/396834035.db2.gz WMVQSDNJELWHPT-UHFFFAOYSA-N -1 3 320.418 0.789 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCOC[C@@H]1O)c1ccc(Cl)cc1F ZINC000625596667 396942723 /nfs/dbraw/zinc/94/27/23/396942723.db2.gz LMFQUGPTVUXLPY-ZJUUUORDSA-N -1 3 309.746 0.907 10 0 DCAEHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000630575424 397050392 /nfs/dbraw/zinc/05/03/92/397050392.db2.gz ZHNCDNKGBQXCNR-UONOGXRCSA-N -1 3 307.394 0.767 10 0 DCAEHM O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1c[n-]nn1 ZINC000055624600 158023044 /nfs/dbraw/zinc/02/30/44/158023044.db2.gz KEVZXDHXFCTXER-UHFFFAOYSA-N -1 3 309.329 0.945 10 0 DCAEHM O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1cnn[n-]1 ZINC000055624600 158023050 /nfs/dbraw/zinc/02/30/50/158023050.db2.gz KEVZXDHXFCTXER-UHFFFAOYSA-N -1 3 309.329 0.945 10 0 DCAEHM O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1cn[n-]n1 ZINC000055624600 158023054 /nfs/dbraw/zinc/02/30/54/158023054.db2.gz KEVZXDHXFCTXER-UHFFFAOYSA-N -1 3 309.329 0.945 10 0 DCAEHM COc1ccc([O-])c(C(=O)NC[C@H]2CN(C3CC3)CCO2)c1 ZINC000127205753 158271012 /nfs/dbraw/zinc/27/10/12/158271012.db2.gz RJIMNSCKTNHTEK-ZDUSSCGKSA-N -1 3 306.362 0.994 10 0 DCAEHM CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cn(C)cn1)CC2 ZINC000329646032 159109181 /nfs/dbraw/zinc/10/91/81/159109181.db2.gz AXJCGUFCSGSCIP-SNVBAGLBSA-N -1 3 324.410 0.428 10 0 DCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCO1 ZINC000329982834 159133867 /nfs/dbraw/zinc/13/38/67/159133867.db2.gz ASHVRICYGAPSEM-QMMMGPOBSA-N -1 3 303.340 0.122 10 0 DCAEHM CC1(O)CC(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000408454621 160111966 /nfs/dbraw/zinc/11/19/66/160111966.db2.gz WDRZRFGFQLMTDR-UHFFFAOYSA-N -1 3 318.373 0.838 10 0 DCAEHM CCC[C@@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)N(C)C ZINC000136377881 287026524 /nfs/dbraw/zinc/02/65/24/287026524.db2.gz UNGKBNWKTUHVGA-AWEZNQCLSA-N -1 3 307.394 0.969 10 0 DCAEHM COc1nnc(NC(=O)c2cn(Cc3cccs3)nn2)[n-]1 ZINC000179368664 416186039 /nfs/dbraw/zinc/18/60/39/416186039.db2.gz GSJUYODBWDPLAP-UHFFFAOYSA-N -1 3 305.323 0.767 10 0 DCAEHM COc1nc(NC(=O)c2cn(Cc3cccs3)nn2)n[n-]1 ZINC000179368664 416186043 /nfs/dbraw/zinc/18/60/43/416186043.db2.gz GSJUYODBWDPLAP-UHFFFAOYSA-N -1 3 305.323 0.767 10 0 DCAEHM COc1n[n-]c(NC(=O)c2cn(Cc3cccs3)nn2)n1 ZINC000179368664 416186049 /nfs/dbraw/zinc/18/60/49/416186049.db2.gz GSJUYODBWDPLAP-UHFFFAOYSA-N -1 3 305.323 0.767 10 0 DCAEHM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000182170396 416216016 /nfs/dbraw/zinc/21/60/16/416216016.db2.gz KMYARBRENVYJGP-USWWRNFRSA-N -1 3 302.334 0.589 10 0 DCAEHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cccc2ncnn21 ZINC000360994215 416418798 /nfs/dbraw/zinc/41/87/98/416418798.db2.gz CCRLHTPALHZAOG-UHFFFAOYSA-N -1 3 311.227 0.796 10 0 DCAEHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cccc2ncnn21 ZINC000360994215 416418799 /nfs/dbraw/zinc/41/87/99/416418799.db2.gz CCRLHTPALHZAOG-UHFFFAOYSA-N -1 3 311.227 0.796 10 0 DCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc2ncnn21 ZINC000360994215 416418800 /nfs/dbraw/zinc/41/88/00/416418800.db2.gz CCRLHTPALHZAOG-UHFFFAOYSA-N -1 3 311.227 0.796 10 0 DCAEHM COCCC1(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CCCC1 ZINC000366084366 416617490 /nfs/dbraw/zinc/61/74/90/416617490.db2.gz MAIFAXLVCYKPLH-MRXNPFEDSA-N -1 3 323.393 0.784 10 0 DCAEHM NC(=O)c1cccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)n1 ZINC000541926184 416618492 /nfs/dbraw/zinc/61/84/92/416618492.db2.gz ZPYQYLKOCKWDMM-UHFFFAOYSA-N -1 3 323.316 0.537 10 0 DCAEHM NC(=O)c1cccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)n1 ZINC000541926184 416618498 /nfs/dbraw/zinc/61/84/98/416618498.db2.gz ZPYQYLKOCKWDMM-UHFFFAOYSA-N -1 3 323.316 0.537 10 0 DCAEHM CCc1nc(C(C)(C)[N-]S(=O)(=O)C[C@@H](C)C(=O)OC)no1 ZINC000443152383 416734629 /nfs/dbraw/zinc/73/46/29/416734629.db2.gz BHNMCOGZJWVVSY-MRVPVSSYSA-N -1 3 319.383 0.596 10 0 DCAEHM CN(C)CCN1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000448601244 417087661 /nfs/dbraw/zinc/08/76/61/417087661.db2.gz RDLKCNZLXJQWPR-UHFFFAOYSA-N -1 3 305.378 0.281 10 0 DCAEHM COC[C@]1(C(=O)[O-])CCCN1CCn1c(C)csc1=O ZINC000643879722 417409004 /nfs/dbraw/zinc/40/90/04/417409004.db2.gz YZDAUZCKYQQIHT-ZDUSSCGKSA-N -1 3 300.380 0.784 10 0 DCAEHM CC(=O)N1CCC(CNC(=O)NCc2ncccc2[O-])CC1 ZINC000471813745 272031870 /nfs/dbraw/zinc/03/18/70/272031870.db2.gz XIZLHUIJRDZOFR-UHFFFAOYSA-N -1 3 306.366 0.845 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCOCC(F)F ZINC000190965271 527668911 /nfs/dbraw/zinc/66/89/11/527668911.db2.gz MXQJAWIGDLGVSY-UHFFFAOYSA-N -1 3 317.745 0.942 10 0 DCAEHM CCc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C)nc2)n[nH]1 ZINC000184466166 545911051 /nfs/dbraw/zinc/91/10/51/545911051.db2.gz BHVUCEWXCHTZLF-UHFFFAOYSA-N -1 3 309.351 0.528 10 0 DCAEHM COc1ccc(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)c([O-])c1 ZINC000909158381 663782627 /nfs/dbraw/zinc/78/26/27/663782627.db2.gz BRSLEZYVEAUQDL-BNOWGMLFSA-N -1 3 303.318 0.702 10 0 DCAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1=O ZINC000709121139 667444065 /nfs/dbraw/zinc/44/40/65/667444065.db2.gz UJYQLYGZATUAIW-VIFPVBQESA-N -1 3 321.761 0.773 10 0 DCAEHM C[C@@H](O)[C@@H](O)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000717298734 667542679 /nfs/dbraw/zinc/54/26/79/667542679.db2.gz MYQGGKYNYQFBDI-LDWIPMOCSA-N -1 3 304.140 0.626 10 0 DCAEHM O=S(=O)([N-]C1COCCOC1)c1cnc(Cl)c(F)c1 ZINC000382006247 685239468 /nfs/dbraw/zinc/23/94/68/685239468.db2.gz MEEKPWDSOWHVPB-UHFFFAOYSA-N -1 3 310.734 0.568 10 0 DCAEHM Cc1nn(C)c(C)c1C(=O)NCCNC(=O)c1ccccc1[O-] ZINC000153499839 1180548538 /nfs/dbraw/zinc/54/85/38/1180548538.db2.gz RSKNESRABKFZBA-UHFFFAOYSA-N -1 3 316.361 0.902 10 0 DCAEHM CCNC(=O)NCC[N-]S(=O)(=O)c1cccnc1Cl ZINC000389078673 1190699992 /nfs/dbraw/zinc/69/99/92/1190699992.db2.gz KZJCYDSZQMIENJ-UHFFFAOYSA-N -1 3 306.775 0.332 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2C[C@@H](O)C[C@@H]2c2nc(C)no2)n1 ZINC000328616805 529566134 /nfs/dbraw/zinc/56/61/34/529566134.db2.gz CBRNJBWRHZMSRJ-WDEREUQCSA-N -1 3 305.338 0.744 10 0 DCAEHM COc1cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc(OC)c1OC ZINC000074728859 191353967 /nfs/dbraw/zinc/35/39/67/191353967.db2.gz BEGWGHKINMHSFN-QMMMGPOBSA-N -1 3 323.305 0.249 10 0 DCAEHM Cn1c2ccc(F)cc2nc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000174607571 237170998 /nfs/dbraw/zinc/17/09/98/237170998.db2.gz COIXFLKJJKWJCS-UHFFFAOYSA-N -1 3 305.269 0.203 10 0 DCAEHM O=C([N-]c1nc[nH]n1)c1cnn2cc(Br)cnc12 ZINC000094018809 284431944 /nfs/dbraw/zinc/43/19/44/284431944.db2.gz HJZFPUIOPSFVON-UHFFFAOYSA-N -1 3 308.099 0.862 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)cn1C ZINC000349974310 254306979 /nfs/dbraw/zinc/30/69/79/254306979.db2.gz MHDUEDGLAAQHRA-SSDOTTSWSA-N -1 3 301.290 0.320 10 0 DCAEHM CCOC(=O)C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000037565080 395727838 /nfs/dbraw/zinc/72/78/38/395727838.db2.gz ZJJQJQLVCSPRGC-UHFFFAOYSA-N -1 3 319.335 0.524 10 0 DCAEHM CCc1oc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000195020090 395813616 /nfs/dbraw/zinc/81/36/16/395813616.db2.gz JPZYSERPDSWRRJ-HNNXBMFYSA-N -1 3 305.334 0.965 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N[C@@H]1C[C@@H]3OCCC[C@@H]13)c2[O-] ZINC000249256817 396004696 /nfs/dbraw/zinc/00/46/96/396004696.db2.gz YMVNOKKARJDBKR-AXTRIDKLSA-N -1 3 302.334 0.971 10 0 DCAEHM CC[C@H](C)[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)[O-] ZINC000169319091 396090157 /nfs/dbraw/zinc/09/01/57/396090157.db2.gz BFHSOUBSVBDGEA-GHYVTOPFSA-N -1 3 308.378 0.533 10 0 DCAEHM COCCN(C)CCNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000171128261 396108138 /nfs/dbraw/zinc/10/81/38/396108138.db2.gz VZBRMOGFISAXOL-UHFFFAOYSA-N -1 3 318.377 0.952 10 0 DCAEHM COCCN(C)CCNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000171128261 396108140 /nfs/dbraw/zinc/10/81/40/396108140.db2.gz VZBRMOGFISAXOL-UHFFFAOYSA-N -1 3 318.377 0.952 10 0 DCAEHM O=C(C=Cc1cncc([O-])c1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000373119518 396568160 /nfs/dbraw/zinc/56/81/60/396568160.db2.gz BLAWNYRRHYJXOM-ITDFMYJTSA-N -1 3 316.361 0.817 10 0 DCAEHM COc1ccc2nc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)sc2c1 ZINC000074728874 158059146 /nfs/dbraw/zinc/05/91/46/158059146.db2.gz FCWGHRMIZVMMHU-QMMMGPOBSA-N -1 3 320.330 0.842 10 0 DCAEHM O=S(=O)([N-]C[C@@H]1CN(C2CC2)CCO1)c1cccs1 ZINC000123603360 158231945 /nfs/dbraw/zinc/23/19/45/158231945.db2.gz BDHAZJWXQCOEQM-LLVKDONJSA-N -1 3 302.421 0.890 10 0 DCAEHM CCN1CCC[C@@H](NC(=O)c2coc(S(=O)(=O)[N-]C)c2)C1 ZINC000131781124 158305258 /nfs/dbraw/zinc/30/52/58/158305258.db2.gz NXDCOUXEDHSXRG-LLVKDONJSA-N -1 3 315.395 0.402 10 0 DCAEHM O=S(=O)([N-]C1(C(F)F)CC1)c1cnn([C@@H]2CCOC2)c1 ZINC000328639197 159017005 /nfs/dbraw/zinc/01/70/05/159017005.db2.gz DQFACGFQCVNCPI-MRVPVSSYSA-N -1 3 307.322 0.921 10 0 DCAEHM CN(C)c1nc(C(=O)N2CCC[C@H]2c2ncc[nH]2)cc(=O)[n-]1 ZINC000328745546 159025854 /nfs/dbraw/zinc/02/58/54/159025854.db2.gz KZCBQEGCTRUQJC-JTQLQIEISA-N -1 3 302.338 0.949 10 0 DCAEHM Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)C1COC1 ZINC000330165090 159147351 /nfs/dbraw/zinc/14/73/51/159147351.db2.gz UIEFJRRBEUREQD-AAEUAGOBSA-N -1 3 315.395 0.185 10 0 DCAEHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F ZINC000350016906 159243036 /nfs/dbraw/zinc/24/30/36/159243036.db2.gz SOQYRPXJZQMJNT-MRVPVSSYSA-N -1 3 315.317 0.629 10 0 DCAEHM Cc1cccc(C)c1CC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000408128752 160043491 /nfs/dbraw/zinc/04/34/91/160043491.db2.gz LFUNAIRKIBJOTG-CYBMUJFWSA-N -1 3 301.346 0.609 10 0 DCAEHM CCn1c(=O)[n-]nc1SC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000408146719 160047838 /nfs/dbraw/zinc/04/78/38/160047838.db2.gz UDHJXRXDLQOPKA-QMMMGPOBSA-N -1 3 306.413 0.377 10 0 DCAEHM CCn1c(=O)[n-]nc1SC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000408146718 160047905 /nfs/dbraw/zinc/04/79/05/160047905.db2.gz UDHJXRXDLQOPKA-MRVPVSSYSA-N -1 3 306.413 0.377 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000408394885 160099604 /nfs/dbraw/zinc/09/96/04/160099604.db2.gz RKGLQRPNMYRERX-ZDEQEGDKSA-N -1 3 322.427 0.124 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N(CCC(F)(F)F)CC1CC1 ZINC000084281162 415498195 /nfs/dbraw/zinc/49/81/95/415498195.db2.gz XGVHSSJJHLLVND-UHFFFAOYSA-N -1 3 307.272 0.729 10 0 DCAEHM C[C@H]1C[C@H]1NC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000120836214 415786644 /nfs/dbraw/zinc/78/66/44/415786644.db2.gz YCQQGMHNGSSGRB-DTWKUNHWSA-N -1 3 303.409 0.734 10 0 DCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000174752797 416085173 /nfs/dbraw/zinc/08/51/73/416085173.db2.gz ZJIQPGKBAGTDRU-SECBINFHSA-N -1 3 320.736 0.716 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccco1 ZINC000175358455 416103815 /nfs/dbraw/zinc/10/38/15/416103815.db2.gz OEMFFZWFILKLLX-SRVKXCTJSA-N -1 3 318.395 0.911 10 0 DCAEHM COc1nnc(NC(=O)c2cnc(-c3cnn(C)c3)s2)[n-]1 ZINC000179361659 416186834 /nfs/dbraw/zinc/18/68/34/416186834.db2.gz UEVNDWDTTCOQAX-UHFFFAOYSA-N -1 3 305.323 0.923 10 0 DCAEHM COc1n[n-]c(NC(=O)c2cnc(-c3cnn(C)c3)s2)n1 ZINC000179361659 416186837 /nfs/dbraw/zinc/18/68/37/416186837.db2.gz UEVNDWDTTCOQAX-UHFFFAOYSA-N -1 3 305.323 0.923 10 0 DCAEHM COc1nc(NC(=O)c2cnc(-c3cnn(C)c3)s2)n[n-]1 ZINC000179361659 416186840 /nfs/dbraw/zinc/18/68/40/416186840.db2.gz UEVNDWDTTCOQAX-UHFFFAOYSA-N -1 3 305.323 0.923 10 0 DCAEHM Cn1ncc2c1[n-]cc(C(=O)N1CCN3CCC[C@@H]3C1)c2=O ZINC000181956250 416214512 /nfs/dbraw/zinc/21/45/12/416214512.db2.gz IIRVQGQUZMWNEW-SNVBAGLBSA-N -1 3 301.350 0.594 10 0 DCAEHM O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000178298611 416160915 /nfs/dbraw/zinc/16/09/15/416160915.db2.gz XNLIYFNOOBZAMO-CABCVRRESA-N -1 3 322.320 0.958 10 0 DCAEHM COC(=O)[C@H](NCC[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000358848012 416284271 /nfs/dbraw/zinc/28/42/71/416284271.db2.gz JYUJFWZFFCLMBI-LLVKDONJSA-N -1 3 318.420 0.568 10 0 DCAEHM COc1cncc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1C ZINC000632865487 417283670 /nfs/dbraw/zinc/28/36/70/417283670.db2.gz KIRPDCMGLULJFJ-NSHDSACASA-N -1 3 316.365 0.917 10 0 DCAEHM CCc1nnc2n1C[C@H](NC(=O)c1cc(F)c[n-]c1=O)CC2 ZINC000621817636 417301607 /nfs/dbraw/zinc/30/16/07/417301607.db2.gz CSBOFKGFUUIWMG-SECBINFHSA-N -1 3 305.313 0.825 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cc(C(F)(F)F)ccn1 ZINC000180559958 545901287 /nfs/dbraw/zinc/90/12/87/545901287.db2.gz RGIFKNLVXSQDEA-LURJTMIESA-N -1 3 302.212 0.637 10 0 DCAEHM CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)C(=O)N(C)C)c1 ZINC000535097039 287829663 /nfs/dbraw/zinc/82/96/63/287829663.db2.gz RCOZQAFFLVFMJV-UHFFFAOYSA-N -1 3 307.350 0.947 10 0 DCAEHM CC(=O)c1cccc(NC(=O)CS(=O)(=O)N(C)C)c1[O-] ZINC000584460836 337344185 /nfs/dbraw/zinc/34/41/85/337344185.db2.gz MRJRNYWFBAQPPR-UHFFFAOYSA-N -1 3 300.336 0.425 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)cn1C ZINC000172610969 341801735 /nfs/dbraw/zinc/80/17/35/341801735.db2.gz TXLFMOSMSYCMAH-ZJUUUORDSA-N -1 3 300.384 0.051 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](C)CO)c(C)o1 ZINC000132048990 522268264 /nfs/dbraw/zinc/26/82/64/522268264.db2.gz WFPRBUKNPYCAIN-JGVFFNPUSA-N -1 3 304.368 0.243 10 0 DCAEHM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000713250264 670154649 /nfs/dbraw/zinc/15/46/49/670154649.db2.gz HAVUJVIONCCNRX-BNOWGMLFSA-N -1 3 306.362 0.865 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)CC2(C)OCCO2)nn1 ZINC000715951969 670226404 /nfs/dbraw/zinc/22/64/04/670226404.db2.gz PTUGKEICPHPHDZ-SNVBAGLBSA-N -1 3 315.395 0.853 10 0 DCAEHM Cn1ncc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000389908232 685258066 /nfs/dbraw/zinc/25/80/66/685258066.db2.gz HYSZJSXTYUDZBZ-UHFFFAOYSA-N -1 3 311.754 0.819 10 0 DCAEHM Cn1ncc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000389955761 685258190 /nfs/dbraw/zinc/25/81/90/685258190.db2.gz UGYYNXFSKBEPEV-UHFFFAOYSA-N -1 3 311.754 0.819 10 0 DCAEHM CN(C)c1nc(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc(=O)[n-]1 ZINC000408242433 282314882 /nfs/dbraw/zinc/31/48/82/282314882.db2.gz UMEPXBATJOKGPX-ONGXEEELSA-N -1 3 319.365 0.131 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2C[C@H](O)C[C@@H]2c2nc(C)no2)n1 ZINC000275222763 212206303 /nfs/dbraw/zinc/20/63/03/212206303.db2.gz CBRNJBWRHZMSRJ-GHMZBOCLSA-N -1 3 305.338 0.744 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N(Cc1ccco1)Cc1ccco1 ZINC000110050012 194306362 /nfs/dbraw/zinc/30/63/62/194306362.db2.gz ZBWLJANWUBNGPD-UHFFFAOYSA-N -1 3 317.301 0.953 10 0 DCAEHM COc1cc(F)c(S(=O)(=O)[N-]CC[C@@H](C)O)cc1OC ZINC000086014709 395702779 /nfs/dbraw/zinc/70/27/79/395702779.db2.gz VVGZLABNKHZPIC-MRVPVSSYSA-N -1 3 307.343 0.892 10 0 DCAEHM Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)[N-]C3=O)s1 ZINC000084796646 395699237 /nfs/dbraw/zinc/69/92/37/395699237.db2.gz ZIQFRUYLPBQOSS-NSHDSACASA-N -1 3 315.376 0.029 10 0 DCAEHM CCCc1noc(Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000111458456 395808827 /nfs/dbraw/zinc/80/88/27/395808827.db2.gz PAGGJBGOQAYLIM-UHFFFAOYSA-N -1 3 315.127 0.683 10 0 DCAEHM Cn1nc(CC(C)(C)C)cc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000111618316 395810395 /nfs/dbraw/zinc/81/03/95/395810395.db2.gz YCHMKUUGJBULFK-UHFFFAOYSA-N -1 3 307.354 0.499 10 0 DCAEHM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F ZINC000234576539 395888723 /nfs/dbraw/zinc/88/87/23/395888723.db2.gz HRLFYWKUBWNXNN-GJMOJQLCSA-N -1 3 319.301 0.171 10 0 DCAEHM Cc1nc(C)c(CCC(=O)N2CCN(C3CC3)CC2)c(=O)[n-]1 ZINC000124824891 395901507 /nfs/dbraw/zinc/90/15/07/395901507.db2.gz JQQPLUTXTNTMBV-UHFFFAOYSA-N -1 3 304.394 0.626 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000126033507 395909155 /nfs/dbraw/zinc/90/91/55/395909155.db2.gz SNLQHWAALAXPMZ-ZDUSSCGKSA-N -1 3 316.361 0.641 10 0 DCAEHM Cc1ccccc1-n1nccc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000134944807 395935553 /nfs/dbraw/zinc/93/55/53/395935553.db2.gz 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/nfs/dbraw/zinc/31/95/09/396319509.db2.gz PNLIKFZTLFSLMT-NEPJUHHUSA-N -1 3 305.330 0.735 10 0 DCAEHM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CNCC[C@H]2C)c1 ZINC000193404033 396450850 /nfs/dbraw/zinc/45/08/50/396450850.db2.gz UOAYEEHSEKNKAU-PSASIEDQSA-N -1 3 302.352 0.343 10 0 DCAEHM CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000364400182 397196169 /nfs/dbraw/zinc/19/61/69/397196169.db2.gz NRPDVKCWYNCOJU-ZETOZRRWSA-N -1 3 309.366 0.248 10 0 DCAEHM CCC[C@@](C)([N-]S(=O)(=O)c1cn(CC)cn1)C(=O)OC ZINC000081685247 158086107 /nfs/dbraw/zinc/08/61/07/158086107.db2.gz QSJHRPPYSHAHHI-GFCCVEGCSA-N -1 3 303.384 0.913 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cnn(-c2ccccc2F)c1 ZINC000088232370 158093477 /nfs/dbraw/zinc/09/34/77/158093477.db2.gz BMEZEJKJJNXWJK-UHFFFAOYSA-N -1 3 317.280 0.502 10 0 DCAEHM Cc1nc([C@@H](C)NC(=O)C(C)S(C)(=O)=O)sc1C(=O)[O-] ZINC000262598478 158829170 /nfs/dbraw/zinc/82/91/70/158829170.db2.gz XUDPMWKBMZJJTC-RQJHMYQMSA-N -1 3 320.392 0.760 10 0 DCAEHM O=C1CC[C@H]([N-]S(=O)(=O)c2ccco2)[C@@H]([C@@H]2CCCO2)N1 ZINC000377856060 159946871 /nfs/dbraw/zinc/94/68/71/159946871.db2.gz MOWAWWBHOUYOEZ-KWBADKCTSA-N -1 3 314.363 0.384 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@@H]1C)[C@@H]1CCCO1 ZINC000408394216 160099204 /nfs/dbraw/zinc/09/92/04/160099204.db2.gz OIQPRMWVSIEXNJ-CYDGBPFRSA-N -1 3 322.427 0.124 10 0 DCAEHM CC1(O)CC(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000408453547 160111789 /nfs/dbraw/zinc/11/17/89/160111789.db2.gz RIYQDHXTFKLATQ-UHFFFAOYSA-N -1 3 318.373 0.838 10 0 DCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC[C@@H]1c1ccncc1 ZINC000043804005 286885762 /nfs/dbraw/zinc/88/57/62/286885762.db2.gz FFFSFZFNJNJSIT-VXGBXAGGSA-N -1 3 302.334 0.733 10 0 DCAEHM C[C@H](O)CN1CCN(C(=O)/C=C/c2cncc([O-])c2)C[C@H]1C ZINC000245683276 287071824 /nfs/dbraw/zinc/07/18/24/287071824.db2.gz JFXDTEGDEFDFKJ-HNFMAKEJSA-N -1 3 305.378 0.714 10 0 DCAEHM C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1nnc[n-]1)c1ccccc1 ZINC000086169719 415511130 /nfs/dbraw/zinc/51/11/30/415511130.db2.gz ASKNRISATUIFGK-UWVGGRQHSA-N -1 3 308.363 0.844 10 0 DCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000174752789 416085763 /nfs/dbraw/zinc/08/57/63/416085763.db2.gz ZJIQPGKBAGTDRU-VIFPVBQESA-N -1 3 320.736 0.716 10 0 DCAEHM O=C(N[C@H]1CCOC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000178952858 416177660 /nfs/dbraw/zinc/17/76/60/416177660.db2.gz HVTZKURCNLVTOQ-AAEUAGOBSA-N -1 3 304.346 0.902 10 0 DCAEHM COC(=O)[C@@H]1C[C@@H](OC)CN1CCC[N-]C(=O)C(F)(F)F ZINC000180648215 416200068 /nfs/dbraw/zinc/20/00/68/416200068.db2.gz QNXHDKFZKIOSRN-BDAKNGLRSA-N -1 3 312.288 0.317 10 0 DCAEHM CN(CCCO)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000442996612 416724951 /nfs/dbraw/zinc/72/49/51/416724951.db2.gz XARQHZRZXQVFMW-OAHLLOKOSA-N -1 3 305.334 0.196 10 0 DCAEHM CN(C)c1nc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc(=O)[n-]1 ZINC000407988884 417130526 /nfs/dbraw/zinc/13/05/26/417130526.db2.gz IEZRLWAJPKVROU-GFCCVEGCSA-N -1 3 319.409 0.949 10 0 DCAEHM NC(=O)CN1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000185450763 534326556 /nfs/dbraw/zinc/32/65/56/534326556.db2.gz UUZFXJYXGGOLIJ-UHFFFAOYSA-N -1 3 317.389 0.514 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](C)CO)c(C)o1 ZINC000132049441 522267568 /nfs/dbraw/zinc/26/75/68/522267568.db2.gz WFPRBUKNPYCAIN-HTQZYQBOSA-N -1 3 304.368 0.243 10 0 DCAEHM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)CN1CC(=O)[N-]C1=O ZINC000332866937 546064258 /nfs/dbraw/zinc/06/42/58/546064258.db2.gz KYYXENDVVGSRGP-GWCFXTLKSA-N -1 3 311.382 0.496 10 0 DCAEHM NC(=O)[C@@H]1CCC[C@@H](NC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000255066785 658760241 /nfs/dbraw/zinc/76/02/41/658760241.db2.gz CQFDORWCTXBPNC-NINOGWQASA-N -1 3 313.357 0.931 10 0 DCAEHM O=C1CC[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)N1 ZINC000311771743 664676511 /nfs/dbraw/zinc/67/65/11/664676511.db2.gz XTDMKWWMHOGGSH-LURJTMIESA-N -1 3 307.734 0.431 10 0 DCAEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000111570781 671265902 /nfs/dbraw/zinc/26/59/02/671265902.db2.gz BHLCZROODRDBPR-ZJUUUORDSA-N -1 3 314.345 0.649 10 0 DCAEHM O=S(=O)([N-]CCN1CCSCC1)c1cccnc1F ZINC000401822404 768639860 /nfs/dbraw/zinc/63/98/60/768639860.db2.gz KVAQRPCCBMANQU-UHFFFAOYSA-N -1 3 305.400 0.548 10 0 DCAEHM C[C@]1([N-]S(=O)(=O)c2cccnc2F)CCS(=O)(=O)C1 ZINC000401830127 774067535 /nfs/dbraw/zinc/06/75/35/774067535.db2.gz MUDCSYLZLYTIGB-JTQLQIEISA-N -1 3 308.356 0.076 10 0 DCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]CC(=O)Nc1cccc(F)c1 ZINC000184412659 199713996 /nfs/dbraw/zinc/71/39/96/199713996.db2.gz FNICRAFEXQJRAL-JOYOIKCWSA-N -1 3 316.354 0.861 10 0 DCAEHM O=C([O-])Cn1c(=O)c2cc(Cl)ccc2nc1N1CCNCC1 ZINC000040351874 295985969 /nfs/dbraw/zinc/98/59/69/295985969.db2.gz YCCDCXBTNZGQNR-UHFFFAOYSA-N -1 3 322.752 0.544 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000156169402 291224013 /nfs/dbraw/zinc/22/40/13/291224013.db2.gz DEEYCUKZCRBWCJ-OLZOCXBDSA-N -1 3 301.346 0.722 10 0 DCAEHM Cc1c([O-])ccc2c(CN3CCOC[C@@H]3C(N)=O)cc(=O)oc12 ZINC000092229956 193177396 /nfs/dbraw/zinc/17/73/96/193177396.db2.gz IKGLPLHCASSDCV-GFCCVEGCSA-N -1 3 318.329 0.493 10 0 DCAEHM CCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000020000535 182176181 /nfs/dbraw/zinc/17/61/81/182176181.db2.gz PHHHPHCFLVFBEO-MRVPVSSYSA-N -1 3 305.787 0.928 10 0 DCAEHM O=C(Nc1c[nH]c(=O)[n-]c1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000021141672 182266628 /nfs/dbraw/zinc/26/66/28/182266628.db2.gz BUUUMTUVHAQWHY-UHFFFAOYSA-N -1 3 314.301 0.664 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000109940005 194299838 /nfs/dbraw/zinc/29/98/38/194299838.db2.gz GHRUTMJCWMGZSO-HTQZYQBOSA-N -1 3 307.272 0.776 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC[C@@H](C)O ZINC000086013876 252588320 /nfs/dbraw/zinc/58/83/20/252588320.db2.gz YWVFYZOEOJGCSQ-SSDOTTSWSA-N -1 3 305.352 0.732 10 0 DCAEHM CC(=O)c1cnc([N-]C(=O)c2ccc(S(N)(=O)=O)o2)s1 ZINC000346356328 254040669 /nfs/dbraw/zinc/04/06/69/254040669.db2.gz OZBWAHUEMWFBIX-UHFFFAOYSA-N -1 3 315.332 0.838 10 0 DCAEHM CC(C)NC(=O)CCn1c2n[n-]c(=O)n2c2ccccc2c1=O ZINC000033267993 395717136 /nfs/dbraw/zinc/71/71/36/395717136.db2.gz FBWANPSLOQTUQF-UHFFFAOYSA-N -1 3 315.333 0.252 10 0 DCAEHM COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)[N-]C(C)(C)C(=O)OC ZINC000234610014 395889508 /nfs/dbraw/zinc/88/95/08/395889508.db2.gz XHFOHEMTURXLFN-DTWKUNHWSA-N -1 3 307.368 0.199 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCNCC1 ZINC000238090790 395921059 /nfs/dbraw/zinc/92/10/59/395921059.db2.gz LPKHQCNDCNIBNX-CYBMUJFWSA-N -1 3 303.362 0.429 10 0 DCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCN3CCC[C@H]3C2)cc1 ZINC000246788466 395958246 /nfs/dbraw/zinc/95/82/46/395958246.db2.gz ZWDPWEIDUDGSQX-AWEZNQCLSA-N -1 3 317.389 0.732 10 0 DCAEHM COc1ccc([O-])c(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c1 ZINC000285907647 396361569 /nfs/dbraw/zinc/36/15/69/396361569.db2.gz TWLUHKCIMHISJQ-UKRRQHHQSA-N -1 3 306.362 0.946 10 0 DCAEHM O=C(NCCN1CCCOCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000187656412 396372305 /nfs/dbraw/zinc/37/23/05/396372305.db2.gz ZXHYPZBLLPJMLA-UHFFFAOYSA-N -1 3 316.361 0.375 10 0 DCAEHM COC1(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CCCCC1 ZINC000366083130 292085341 /nfs/dbraw/zinc/08/53/41/292085341.db2.gz JKWGFTXBSCFAFA-AWEZNQCLSA-N -1 3 309.366 0.536 10 0 DCAEHM CC(=O)c1ccc(C(=O)NC[C@@]2(OCCO)CCOC2)cc1[O-] ZINC000617706640 396779942 /nfs/dbraw/zinc/77/99/42/396779942.db2.gz VJJSUSZKXALQAL-INIZCTEOSA-N -1 3 323.345 0.493 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CCO[C@H](CC(N)=O)C2)cc1[O-] ZINC000629393575 396737962 /nfs/dbraw/zinc/73/79/62/396737962.db2.gz XVLMIKUBVYZDOK-LLVKDONJSA-N -1 3 306.318 0.311 10 0 DCAEHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ncccc1[O-] ZINC000626423550 397159462 /nfs/dbraw/zinc/15/94/62/397159462.db2.gz BWLVTVPHDHMDPL-UHFFFAOYSA-N -1 3 322.365 0.535 10 0 DCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)C(=O)c1cnn(C)c1 ZINC000610232287 397806062 /nfs/dbraw/zinc/80/60/62/397806062.db2.gz MADAMFGSBLQXGD-UHFFFAOYSA-N -1 3 305.294 0.450 10 0 DCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C(=O)c1cnn(C)c1 ZINC000610232287 397806064 /nfs/dbraw/zinc/80/60/64/397806064.db2.gz MADAMFGSBLQXGD-UHFFFAOYSA-N -1 3 305.294 0.450 10 0 DCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCN3CCC[C@@H]3C2)cc1 ZINC000178624020 286285308 /nfs/dbraw/zinc/28/53/08/286285308.db2.gz ZWDPWEIDUDGSQX-CQSZACIVSA-N -1 3 317.389 0.732 10 0 DCAEHM O=C(c1cc2c(s1)CCC2)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000083856755 158088077 /nfs/dbraw/zinc/08/80/77/158088077.db2.gz SJYMOBGURGWFMT-CQSZACIVSA-N -1 3 305.359 0.661 10 0 DCAEHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2COCCN2)ccc1F ZINC000088369915 158095024 /nfs/dbraw/zinc/09/50/24/158095024.db2.gz PIWJGDVEVBWEEA-LLVKDONJSA-N -1 3 317.342 0.124 10 0 DCAEHM COc1ccccc1NC(=O)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000091329796 158108348 /nfs/dbraw/zinc/10/83/48/158108348.db2.gz YEQAQCCKKYZHOQ-UHFFFAOYSA-N -1 3 309.709 0.837 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000132755506 158314033 /nfs/dbraw/zinc/31/40/33/158314033.db2.gz DDWJVWHFFVIFMQ-LBPRGKRZSA-N -1 3 312.329 0.651 10 0 DCAEHM COc1nnc(NC(=O)CNC(=O)c2cc(F)cc(F)c2)[n-]1 ZINC000133099406 158316228 /nfs/dbraw/zinc/31/62/28/158316228.db2.gz GTYHNCBTAXHXFI-UHFFFAOYSA-N -1 3 311.248 0.460 10 0 DCAEHM COc1nc(NC(=O)CNC(=O)c2cc(F)cc(F)c2)n[n-]1 ZINC000133099406 158316229 /nfs/dbraw/zinc/31/62/29/158316229.db2.gz GTYHNCBTAXHXFI-UHFFFAOYSA-N -1 3 311.248 0.460 10 0 DCAEHM COc1n[n-]c(NC(=O)CNC(=O)c2cc(F)cc(F)c2)n1 ZINC000133099406 158316230 /nfs/dbraw/zinc/31/62/30/158316230.db2.gz GTYHNCBTAXHXFI-UHFFFAOYSA-N -1 3 311.248 0.460 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@H](O)C1 ZINC000133402973 158318920 /nfs/dbraw/zinc/31/89/20/158318920.db2.gz GHNWNVQXABOAGY-WCQYABFASA-N -1 3 304.346 0.590 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000171870174 158387300 /nfs/dbraw/zinc/38/73/00/158387300.db2.gz ORLHDUHFKPRUEQ-INIZCTEOSA-N -1 3 324.340 0.839 10 0 DCAEHM COc1cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc(C)n1 ZINC000328663880 159018421 /nfs/dbraw/zinc/01/84/21/159018421.db2.gz YETXLZRHHVVDEG-JTQLQIEISA-N -1 3 304.306 0.615 10 0 DCAEHM Cn1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(=O)[n-]c1=O ZINC000408349173 160089837 /nfs/dbraw/zinc/08/98/37/160089837.db2.gz GZAPEPLDJYCFHF-BMIGLBTASA-N -1 3 307.350 0.253 10 0 DCAEHM Cc1nc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(C)s1 ZINC000408454241 160111767 /nfs/dbraw/zinc/11/17/67/160111767.db2.gz UWBANWNPVJGPGH-CYBMUJFWSA-N -1 3 308.363 0.574 10 0 DCAEHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1 ZINC000275584803 415375821 /nfs/dbraw/zinc/37/58/21/415375821.db2.gz HBWOEJLOCJPQNP-CYBMUJFWSA-N -1 3 324.352 0.612 10 0 DCAEHM Cc1nc(C)c(CCC(=O)Nc2ccc(C(N)=O)nc2)c(=O)[n-]1 ZINC000133212975 415943083 /nfs/dbraw/zinc/94/30/83/415943083.db2.gz HQTSWVFSZYHJJX-UHFFFAOYSA-N -1 3 315.333 0.452 10 0 DCAEHM C[C@@H](C(=O)NC1(c2nnn[n-]2)CC1)N(C)Cc1ccccc1 ZINC000357043238 416025261 /nfs/dbraw/zinc/02/52/61/416025261.db2.gz HHLRABLTVMSSDO-NSHDSACASA-N -1 3 300.366 0.826 10 0 DCAEHM C[C@@H](C(=O)NC1(c2nn[n-]n2)CC1)N(C)Cc1ccccc1 ZINC000357043238 416025265 /nfs/dbraw/zinc/02/52/65/416025265.db2.gz HHLRABLTVMSSDO-NSHDSACASA-N -1 3 300.366 0.826 10 0 DCAEHM CNC(=O)CCCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000357668234 416112397 /nfs/dbraw/zinc/11/23/97/416112397.db2.gz GKBNBKUZADRPOE-UHFFFAOYSA-N -1 3 302.338 0.645 10 0 DCAEHM CNC(=O)CCCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000357668234 416112400 /nfs/dbraw/zinc/11/24/00/416112400.db2.gz GKBNBKUZADRPOE-UHFFFAOYSA-N -1 3 302.338 0.645 10 0 DCAEHM O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000179215432 416184002 /nfs/dbraw/zinc/18/40/02/416184002.db2.gz YFGFJQDMWOJFRZ-GXFFZTMASA-N -1 3 302.330 0.851 10 0 DCAEHM CCn1cc([C@@H]2OCC[C@H]2[N-]S(=O)(=O)C2COC2)cn1 ZINC000623079225 416739660 /nfs/dbraw/zinc/73/96/60/416739660.db2.gz PLBHXCXELRPSCC-NEPJUHHUSA-N -1 3 301.368 0.051 10 0 DCAEHM COC[C@@]1(C(=O)[O-])CCCN1CC1(CS(C)(=O)=O)CC1 ZINC000643878498 417409018 /nfs/dbraw/zinc/40/90/18/417409018.db2.gz VWHICMZAGLVURG-CYBMUJFWSA-N -1 3 305.396 0.377 10 0 DCAEHM Cc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(C)n1 ZINC000317010262 261176567 /nfs/dbraw/zinc/17/65/67/261176567.db2.gz PWKGXDLEISXRMK-OAHLLOKOSA-N -1 3 302.334 0.513 10 0 DCAEHM Cc1cccc2ncc(CN3CCC[C@]4(C3)NC(=O)[N-]C4=O)n21 ZINC000363665694 262126909 /nfs/dbraw/zinc/12/69/09/262126909.db2.gz OYUNAEOAVNLPKA-MRXNPFEDSA-N -1 3 313.361 0.817 10 0 DCAEHM Cc1c(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)cnn1C ZINC000489482713 272062570 /nfs/dbraw/zinc/06/25/70/272062570.db2.gz RMEZOVXMCWLCSU-QMMMGPOBSA-N -1 3 301.290 0.320 10 0 DCAEHM C[C@H]1CCCN1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1 ZINC000546025358 288012774 /nfs/dbraw/zinc/01/27/74/288012774.db2.gz WPHVMKXAJYDLGU-LURJTMIESA-N -1 3 314.289 0.907 10 0 DCAEHM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]C[C@@H](C)N1CCCCC1 ZINC000038029597 280182318 /nfs/dbraw/zinc/18/23/18/280182318.db2.gz USXSDNVIYIYZNP-SECBINFHSA-N -1 3 319.452 0.898 10 0 DCAEHM COC(=O)c1[nH]c(=O)[n-]c(=O)c1CS(=O)(=O)c1ccccc1 ZINC000584654657 337377856 /nfs/dbraw/zinc/37/78/56/337377856.db2.gz MXHVCCAXBZSCKN-UHFFFAOYSA-N -1 3 324.314 0.648 10 0 DCAEHM COC(=O)c1[n-]c(=O)[nH]c(=O)c1CS(=O)(=O)c1ccccc1 ZINC000584654657 337377857 /nfs/dbraw/zinc/37/78/57/337377857.db2.gz MXHVCCAXBZSCKN-UHFFFAOYSA-N -1 3 324.314 0.648 10 0 DCAEHM CC(C)(CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000161704684 519243200 /nfs/dbraw/zinc/24/32/00/519243200.db2.gz KSNILPUZRVAACX-NSHDSACASA-N -1 3 307.325 0.818 10 0 DCAEHM COc1nnc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[n-]1 ZINC000158196812 524984253 /nfs/dbraw/zinc/98/42/53/524984253.db2.gz VHQSZSWPVUVSFC-RXMQYKEDSA-N -1 3 307.232 0.163 10 0 DCAEHM COc1nc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n[n-]1 ZINC000158196812 524984265 /nfs/dbraw/zinc/98/42/65/524984265.db2.gz VHQSZSWPVUVSFC-RXMQYKEDSA-N -1 3 307.232 0.163 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 ZINC000158196812 524984279 /nfs/dbraw/zinc/98/42/79/524984279.db2.gz VHQSZSWPVUVSFC-RXMQYKEDSA-N -1 3 307.232 0.163 10 0 DCAEHM Cc1nc([C@@H]2CN(CCC[N-]C(=O)C(F)(F)F)CCO2)n[nH]1 ZINC000154856187 526535751 /nfs/dbraw/zinc/53/57/51/526535751.db2.gz RLVVWFRGPUXTTA-VIFPVBQESA-N -1 3 321.303 0.555 10 0 DCAEHM Cc1nnc([C@@H]2CN(CCC[N-]C(=O)C(F)(F)F)CCO2)[nH]1 ZINC000154856187 526535757 /nfs/dbraw/zinc/53/57/57/526535757.db2.gz RLVVWFRGPUXTTA-VIFPVBQESA-N -1 3 321.303 0.555 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCF ZINC000178076211 545893668 /nfs/dbraw/zinc/89/36/68/545893668.db2.gz ZWYMPBKASOXTLI-VIFPVBQESA-N -1 3 306.334 0.968 10 0 DCAEHM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)CN1CC(=O)[N-]C1=O ZINC000332866941 546064534 /nfs/dbraw/zinc/06/45/34/546064534.db2.gz KYYXENDVVGSRGP-MFKMUULPSA-N -1 3 311.382 0.496 10 0 DCAEHM NC(=O)c1coc(CNC(=O)NN=c2ccc(Cl)n[n-]2)c1 ZINC000187983239 657703676 /nfs/dbraw/zinc/70/36/76/657703676.db2.gz SRNPSXWTUOPCBW-UHFFFAOYSA-N -1 3 310.701 0.648 10 0 DCAEHM Nc1cc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)ccn1 ZINC000886071731 667728492 /nfs/dbraw/zinc/72/84/92/667728492.db2.gz BPNPHUBMLDCDEO-OAHLLOKOSA-N -1 3 306.366 0.025 10 0 DCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCN(C3CC3)CC2)cc1 ZINC000126000503 668457504 /nfs/dbraw/zinc/45/75/04/668457504.db2.gz BEGOCZGQINWQHG-UHFFFAOYSA-N -1 3 317.389 0.732 10 0 DCAEHM NC(=O)c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cn1 ZINC000127635967 669007774 /nfs/dbraw/zinc/00/77/74/669007774.db2.gz ZDADKUQJAGQVTC-UHFFFAOYSA-N -1 3 309.285 0.669 10 0 DCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000041120453 669822974 /nfs/dbraw/zinc/82/29/74/669822974.db2.gz OXIWNAHUJDVSGG-SNVBAGLBSA-N -1 3 315.351 0.553 10 0 DCAEHM CN(C)C(=O)[C@H]1CCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000117982098 671263848 /nfs/dbraw/zinc/26/38/48/671263848.db2.gz WWCCYIYFIAVXDX-GFCCVEGCSA-N -1 3 314.345 0.616 10 0 DCAEHM Cc1cnn(CCC(=O)NCCNC(=O)c2ccccc2[O-])c1 ZINC000055382632 1171877754 /nfs/dbraw/zinc/87/77/54/1171877754.db2.gz QAVVSBCVTGRYKS-UHFFFAOYSA-N -1 3 316.361 0.833 10 0 DCAEHM C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cccnc1F ZINC000401837458 774067502 /nfs/dbraw/zinc/06/75/02/774067502.db2.gz PGQCVIFMKLMZEE-VIFPVBQESA-N -1 3 301.343 0.510 10 0 DCAEHM C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cccnc1F ZINC000401850856 774068843 /nfs/dbraw/zinc/06/88/43/774068843.db2.gz WOSXOOQRQYRSSY-JTQLQIEISA-N -1 3 303.359 0.220 10 0 DCAEHM N[C@@H](CS[C@H]1CC(=O)N(c2cccc(O)c2)C1=O)C(=O)[O-] ZINC000016900336 182062964 /nfs/dbraw/zinc/06/29/64/182062964.db2.gz GHBUEXKTVGIPMZ-UWVGGRQHSA-N -1 3 310.331 0.169 10 0 DCAEHM CCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000020000538 182176189 /nfs/dbraw/zinc/17/61/89/182176189.db2.gz PHHHPHCFLVFBEO-QMMMGPOBSA-N -1 3 305.787 0.928 10 0 DCAEHM O=C(CN1CCCCC1=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000110786468 194358174 /nfs/dbraw/zinc/35/81/74/194358174.db2.gz RKPMXFTYLZETCF-UHFFFAOYSA-N -1 3 314.349 0.495 10 0 DCAEHM O=C(CN1CCCCC1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000110786468 194358175 /nfs/dbraw/zinc/35/81/75/194358175.db2.gz RKPMXFTYLZETCF-UHFFFAOYSA-N -1 3 314.349 0.495 10 0 DCAEHM CCOCCN(CC)S(=O)(=O)c1[n-]ncc1C(=O)OCC ZINC000111120120 194391859 /nfs/dbraw/zinc/39/18/59/194391859.db2.gz ILMIABJTUMRXNE-UHFFFAOYSA-N -1 3 319.383 0.634 10 0 DCAEHM CCOCCN(CC)S(=O)(=O)c1n[n-]cc1C(=O)OCC ZINC000111120120 194391861 /nfs/dbraw/zinc/39/18/61/194391861.db2.gz ILMIABJTUMRXNE-UHFFFAOYSA-N -1 3 319.383 0.634 10 0 DCAEHM C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286507265 219026456 /nfs/dbraw/zinc/02/64/56/219026456.db2.gz AFNAALJXODSOOF-RCOVLWMOSA-N -1 3 321.761 0.820 10 0 DCAEHM COc1ccc(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c([O-])c1 ZINC000285299060 131155410 /nfs/dbraw/zinc/15/54/10/131155410.db2.gz PLISFBSYZXFWIX-HIFRSBDPSA-N -1 3 306.362 0.946 10 0 DCAEHM COc1cccc(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c1[O-] ZINC000285608824 131186171 /nfs/dbraw/zinc/18/61/71/131186171.db2.gz CVNGLCYILPOUEP-CHWSQXEVSA-N -1 3 306.362 0.946 10 0 DCAEHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000035177081 395719484 /nfs/dbraw/zinc/71/94/84/395719484.db2.gz ABFWKTQLDXUCQT-SRVKXCTJSA-N -1 3 322.427 0.518 10 0 DCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H]1Cc2ccccc2[C@@H]1O ZINC000193945592 395783354 /nfs/dbraw/zinc/78/33/54/395783354.db2.gz PUKXRCMXTFCRLL-WQAKAFBOSA-N -1 3 312.391 0.041 10 0 DCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2)C1=O ZINC000135605313 395940927 /nfs/dbraw/zinc/94/09/27/395940927.db2.gz XCZAJQFGMBLBTA-IACUBPJLSA-N -1 3 324.402 0.889 10 0 DCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@@H](C)O)s1 ZINC000154305850 396035946 /nfs/dbraw/zinc/03/59/46/396035946.db2.gz UVRWTZJAFLOYHG-SECBINFHSA-N -1 3 320.436 0.476 10 0 DCAEHM Cc1ccc2c(c1)[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@H](C)C2 ZINC000183173723 396263898 /nfs/dbraw/zinc/26/38/98/396263898.db2.gz MFTBITKITUIINR-PELKAZGASA-N -1 3 314.345 0.617 10 0 DCAEHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CN(C)CCO1 ZINC000184275288 396289360 /nfs/dbraw/zinc/28/93/60/396289360.db2.gz HTAYMNSKNYZAAY-NSHDSACASA-N -1 3 302.371 0.743 10 0 DCAEHM Cc1c(NC(=O)CN2CC(=O)[N-]C2=O)cnn1C1CCCC1 ZINC000192715049 396435723 /nfs/dbraw/zinc/43/57/23/396435723.db2.gz RUTANSFRCNWYQR-UHFFFAOYSA-N -1 3 305.338 0.797 10 0 DCAEHM NCC(F)(F)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000193312715 396448933 /nfs/dbraw/zinc/44/89/33/396448933.db2.gz UNAZSDPRAACOCX-UHFFFAOYSA-N -1 3 319.255 0.973 10 0 DCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@H]1CCCc2cccnc21 ZINC000375496531 396758108 /nfs/dbraw/zinc/75/81/08/396758108.db2.gz PSONLBCKKZLJSW-NSHDSACASA-N -1 3 302.334 0.469 10 0 DCAEHM CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000364516264 397213818 /nfs/dbraw/zinc/21/38/18/397213818.db2.gz DIBVCVVVOVDUCM-NSHDSACASA-N -1 3 318.362 0.727 10 0 DCAEHM CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000364516264 397213822 /nfs/dbraw/zinc/21/38/22/397213822.db2.gz DIBVCVVVOVDUCM-NSHDSACASA-N -1 3 318.362 0.727 10 0 DCAEHM CO[C@H]1C[C@@H](CN(C)Cc2cc(=O)n3[n-]ccc3n2)N(C)C1 ZINC000578212376 397407476 /nfs/dbraw/zinc/40/74/76/397407476.db2.gz LRWHEBLHGVNPPA-STQMWFEESA-N -1 3 305.382 0.174 10 0 DCAEHM COCCn1cc([N-]S(=O)(=O)N2CCC[C@H](C)C2)cn1 ZINC000078237915 158071508 /nfs/dbraw/zinc/07/15/08/158071508.db2.gz WXJLURUBDQEBOW-NSHDSACASA-N -1 3 302.400 0.918 10 0 DCAEHM Cn1c2ccc(F)cc2nc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000123413578 158230699 /nfs/dbraw/zinc/23/06/99/158230699.db2.gz GZDHUIMFMQHLDU-QMMMGPOBSA-N -1 3 305.269 0.249 10 0 DCAEHM O=S(=O)([N-]C[C@@H]1CN(C2CC2)CCO1)c1ccccc1F ZINC000123614696 158231997 /nfs/dbraw/zinc/23/19/97/158231997.db2.gz FVTWYVKRRUGBGX-GFCCVEGCSA-N -1 3 314.382 0.967 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC[C@H](O)C1 ZINC000123817261 158234422 /nfs/dbraw/zinc/23/44/22/158234422.db2.gz PAQJOXIWJUVMGG-JSGCOSHPSA-N -1 3 318.373 0.980 10 0 DCAEHM O=C(CNC(=O)c1ccccn1)NCc1ccc([O-])c(F)c1 ZINC000172405237 158393922 /nfs/dbraw/zinc/39/39/22/158393922.db2.gz YOEQWYMSXCDIDC-UHFFFAOYSA-N -1 3 303.293 0.973 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)nc1C ZINC000408058887 160025759 /nfs/dbraw/zinc/02/57/59/160025759.db2.gz NYENZCPDFCUUPT-SNVBAGLBSA-N -1 3 300.384 0.111 10 0 DCAEHM CN(C)c1nc(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc(=O)[n-]1 ZINC000408242430 160067794 /nfs/dbraw/zinc/06/77/94/160067794.db2.gz UMEPXBATJOKGPX-GXSJLCMTSA-N -1 3 319.365 0.131 10 0 DCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000408261220 160071362 /nfs/dbraw/zinc/07/13/62/160071362.db2.gz MOONAHBIWSSVDN-DGCLKSJQSA-N -1 3 317.345 0.701 10 0 DCAEHM C[C@@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000177365891 287054675 /nfs/dbraw/zinc/05/46/75/287054675.db2.gz NZZLISCDEUSART-SUMWQHHRSA-N -1 3 318.373 0.980 10 0 DCAEHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cc(F)cc3nn[n-]c32)CC1=O ZINC000332687387 415442224 /nfs/dbraw/zinc/44/22/24/415442224.db2.gz OSHQIDDWPRPVMD-JWKOBGCHSA-N -1 3 317.324 0.836 10 0 DCAEHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cc(F)cc3[n-]nnc32)CC1=O ZINC000332687387 415442232 /nfs/dbraw/zinc/44/22/32/415442232.db2.gz OSHQIDDWPRPVMD-JWKOBGCHSA-N -1 3 317.324 0.836 10 0 DCAEHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cc(F)cc3n[n-]nc32)CC1=O ZINC000332687387 415442236 /nfs/dbraw/zinc/44/22/36/415442236.db2.gz OSHQIDDWPRPVMD-JWKOBGCHSA-N -1 3 317.324 0.836 10 0 DCAEHM CC(=O)N[C@@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)C(C)C ZINC000119693553 415750894 /nfs/dbraw/zinc/75/08/94/415750894.db2.gz WHMPNBISUZRPTQ-GFCCVEGCSA-N -1 3 304.354 0.909 10 0 DCAEHM CC(=O)N[C@@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)C(C)C ZINC000119693553 415750897 /nfs/dbraw/zinc/75/08/97/415750897.db2.gz WHMPNBISUZRPTQ-GFCCVEGCSA-N -1 3 304.354 0.909 10 0 DCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CN(C)CCO2)c1 ZINC000174993015 416092289 /nfs/dbraw/zinc/09/22/89/416092289.db2.gz IDFSHRJENWOLTR-GFCCVEGCSA-N -1 3 316.427 0.148 10 0 DCAEHM COc1nnc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)[n-]1 ZINC000179377294 416187602 /nfs/dbraw/zinc/18/76/02/416187602.db2.gz PDKURDKUOCURSI-UHFFFAOYSA-N -1 3 312.289 0.612 10 0 DCAEHM COc1nc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)n[n-]1 ZINC000179377294 416187604 /nfs/dbraw/zinc/18/76/04/416187604.db2.gz PDKURDKUOCURSI-UHFFFAOYSA-N -1 3 312.289 0.612 10 0 DCAEHM COc1n[n-]c(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)n1 ZINC000179377294 416187605 /nfs/dbraw/zinc/18/76/05/416187605.db2.gz PDKURDKUOCURSI-UHFFFAOYSA-N -1 3 312.289 0.612 10 0 DCAEHM C[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)C[C@H]1N1CCOCC1 ZINC000179524099 416189470 /nfs/dbraw/zinc/18/94/70/416189470.db2.gz HVVSNXYFOJPSQA-VMDGIJPJSA-N -1 3 317.389 0.980 10 0 DCAEHM COc1nnc(NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)[n-]1 ZINC000182990450 416234005 /nfs/dbraw/zinc/23/40/05/416234005.db2.gz QDIVXFQLRSKJPT-GFCCVEGCSA-N -1 3 315.333 0.725 10 0 DCAEHM COc1nc(NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)n[n-]1 ZINC000182990450 416234009 /nfs/dbraw/zinc/23/40/09/416234009.db2.gz QDIVXFQLRSKJPT-GFCCVEGCSA-N -1 3 315.333 0.725 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)n1 ZINC000182990450 416234012 /nfs/dbraw/zinc/23/40/12/416234012.db2.gz QDIVXFQLRSKJPT-GFCCVEGCSA-N -1 3 315.333 0.725 10 0 DCAEHM COc1nnc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)[n-]1 ZINC000183006206 416234574 /nfs/dbraw/zinc/23/45/74/416234574.db2.gz AHMCIZKWWWVCFM-UHFFFAOYSA-N -1 3 317.353 0.212 10 0 DCAEHM COc1nc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)n[n-]1 ZINC000183006206 416234576 /nfs/dbraw/zinc/23/45/76/416234576.db2.gz AHMCIZKWWWVCFM-UHFFFAOYSA-N -1 3 317.353 0.212 10 0 DCAEHM COc1n[n-]c(NC(=O)c2ccnc(N3CCN(C)CC3)c2)n1 ZINC000183006206 416234578 /nfs/dbraw/zinc/23/45/78/416234578.db2.gz AHMCIZKWWWVCFM-UHFFFAOYSA-N -1 3 317.353 0.212 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000436715913 416567030 /nfs/dbraw/zinc/56/70/30/416567030.db2.gz MQSMWXSZFFFBJV-GHMZBOCLSA-N -1 3 322.361 0.887 10 0 DCAEHM Cc1ccc(C(=O)NCCC(=O)NCc2ccn(C)n2)c([O-])c1 ZINC000436834958 416572698 /nfs/dbraw/zinc/57/26/98/416572698.db2.gz BKBQDSLSFNHQBC-UHFFFAOYSA-N -1 3 316.361 0.870 10 0 DCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCCCCC(N)=O)c2=O ZINC000543125196 416637373 /nfs/dbraw/zinc/63/73/73/416637373.db2.gz RCAQYYLRFSQNCW-UHFFFAOYSA-N -1 3 317.345 0.922 10 0 DCAEHM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)N(C)CC)(C(=O)OC)C1(C)C ZINC000444289981 416830316 /nfs/dbraw/zinc/83/03/16/416830316.db2.gz TYMIXCIWIZMHOL-ZWNOBZJWSA-N -1 3 322.427 0.519 10 0 DCAEHM COCCN1CCN(C(=O)/C=C\c2cncc([O-])c2)C[C@H]1C ZINC000492447950 272130345 /nfs/dbraw/zinc/13/03/45/272130345.db2.gz WHCHAGHULATBNG-DHCBQETCSA-N -1 3 305.378 0.980 10 0 DCAEHM COc1nnc(NC(=O)c2cc(Br)nn2C)[n-]1 ZINC000192199761 278085505 /nfs/dbraw/zinc/08/55/05/278085505.db2.gz HYBJNAGZNXFYQY-UHFFFAOYSA-N -1 3 301.104 0.562 10 0 DCAEHM COc1nc(NC(=O)c2cc(Br)nn2C)n[n-]1 ZINC000192199761 278085506 /nfs/dbraw/zinc/08/55/06/278085506.db2.gz HYBJNAGZNXFYQY-UHFFFAOYSA-N -1 3 301.104 0.562 10 0 DCAEHM COc1n[n-]c(NC(=O)c2cc(Br)nn2C)n1 ZINC000192199761 278085507 /nfs/dbraw/zinc/08/55/07/278085507.db2.gz HYBJNAGZNXFYQY-UHFFFAOYSA-N -1 3 301.104 0.562 10 0 DCAEHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000115721021 278500295 /nfs/dbraw/zinc/50/02/95/278500295.db2.gz XPNKZHOBJHREIL-AAEUAGOBSA-N -1 3 301.346 0.943 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000122023506 281387281 /nfs/dbraw/zinc/38/72/81/281387281.db2.gz OQAPFFUCJQUCTL-TZMCWYRMSA-N -1 3 306.410 0.897 10 0 DCAEHM O=C(CC1(O)CCCCC1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366168753 295461903 /nfs/dbraw/zinc/46/19/03/295461903.db2.gz UWWKCMKOJZYNNI-OAHLLOKOSA-N -1 3 309.366 0.272 10 0 DCAEHM C[C@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C[C@H](C)S1=O ZINC000407990526 300188254 /nfs/dbraw/zinc/18/82/54/300188254.db2.gz LQTBFTGUYYUQAG-IUCAKERBSA-N -1 3 312.395 0.230 10 0 DCAEHM Cn1cc(N2CC[C@H](NC(=O)/C=C/c3cncc([O-])c3)C2)cn1 ZINC000365025404 527256239 /nfs/dbraw/zinc/25/62/39/527256239.db2.gz YTDXQFHBFXBKQM-IBUXWKBASA-N -1 3 313.361 0.929 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(C)C2)c(F)c1 ZINC000681821405 548299231 /nfs/dbraw/zinc/29/92/31/548299231.db2.gz QRPGJPAYGDTBNW-JTQLQIEISA-N -1 3 300.355 0.891 10 0 DCAEHM O=S(=O)([N-]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccnc1Cl ZINC000724545604 658432957 /nfs/dbraw/zinc/43/29/57/658432957.db2.gz DLVSAVUDZKTBNQ-UTLUCORTSA-N -1 3 318.782 0.817 10 0 DCAEHM CN(CC1CC1)C(=O)COC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000727539529 662184923 /nfs/dbraw/zinc/18/49/23/662184923.db2.gz CEDYSGNGBNGYDF-UHFFFAOYSA-N -1 3 320.345 0.534 10 0 DCAEHM NC(=O)c1coc(CNC(=O)NN=c2cncc(Cl)[n-]2)c1 ZINC000188035608 669975480 /nfs/dbraw/zinc/97/54/80/669975480.db2.gz ZPOPWQIHURIVKE-UHFFFAOYSA-N -1 3 310.701 0.648 10 0 DCAEHM C[C@H]1CN(C(=O)c2nnc3ccccc3c2[O-])CCN1CCO ZINC000188743859 670042273 /nfs/dbraw/zinc/04/22/73/670042273.db2.gz JNAXMQBWXYWSQE-NSHDSACASA-N -1 3 316.361 0.062 10 0 DCAEHM Nc1nc(N2CCOCC2)[n-]c(=O)c1-c1ccc2c(c1)OCO2 ZINC000757180098 670358969 /nfs/dbraw/zinc/35/89/69/670358969.db2.gz UIWIUWITGBECNM-UHFFFAOYSA-N -1 3 316.317 0.997 10 0 DCAEHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000111570789 671265762 /nfs/dbraw/zinc/26/57/62/671265762.db2.gz BHLCZROODRDBPR-VHSXEESVSA-N -1 3 314.345 0.649 10 0 DCAEHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1cnc[nH]1 ZINC000383645368 1158149828 /nfs/dbraw/zinc/14/98/28/1158149828.db2.gz GJIFFVMDGGIOCL-UHFFFAOYSA-N -1 3 300.271 0.936 10 0 DCAEHM CCOc1nnc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)[n-]1 ZINC000228770811 1180398812 /nfs/dbraw/zinc/39/88/12/1180398812.db2.gz XMYRRYUSKASMGK-KRTXAFLBSA-N -1 3 311.367 0.596 10 0 DCAEHM CCOc1nc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)n[n-]1 ZINC000228770811 1180398821 /nfs/dbraw/zinc/39/88/21/1180398821.db2.gz XMYRRYUSKASMGK-KRTXAFLBSA-N -1 3 311.367 0.596 10 0 DCAEHM CCOc1n[n-]c(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)n1 ZINC000228770811 1180398829 /nfs/dbraw/zinc/39/88/29/1180398829.db2.gz XMYRRYUSKASMGK-KRTXAFLBSA-N -1 3 311.367 0.596 10 0 DCAEHM O=C(CCc1ccncn1)NCCNC(=O)c1ccccc1[O-] ZINC000192326778 1187961573 /nfs/dbraw/zinc/96/15/73/1187961573.db2.gz WNEDDZJILCESHV-UHFFFAOYSA-N -1 3 314.345 0.661 10 0 DCAEHM CC[C@@](C)([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(N)=O ZINC000311442801 747898950 /nfs/dbraw/zinc/89/89/50/747898950.db2.gz GZYAMFIYYPKZJP-SNVBAGLBSA-N -1 3 309.750 0.806 10 0 DCAEHM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F ZINC000234617661 201905766 /nfs/dbraw/zinc/90/57/66/201905766.db2.gz HRLFYWKUBWNXNN-BWZBUEFSSA-N -1 3 319.301 0.171 10 0 DCAEHM COC(=O)C1([N-]S(=O)(=O)[C@H]2CCO[C@@H](C)C2)CCCC1 ZINC000408193612 290911850 /nfs/dbraw/zinc/91/18/50/290911850.db2.gz SYYLLQXLPKXNAT-QWRGUYRKSA-N -1 3 305.396 0.959 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCCNc1cccc(F)c1 ZINC000182132769 199391170 /nfs/dbraw/zinc/39/11/70/199391170.db2.gz GDTHEQAOUSRSME-NSHDSACASA-N -1 3 308.313 0.342 10 0 DCAEHM CC(C)C[C@H](NC(=O)[C@H](O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-] ZINC000005759636 181281390 /nfs/dbraw/zinc/28/13/90/181281390.db2.gz FRMXVEDKXFUWRZ-HZSPNIEDSA-N -1 3 324.377 0.238 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1n[nH]c2c1cccc2Cl ZINC000154387876 291213150 /nfs/dbraw/zinc/21/31/50/291213150.db2.gz ZWLYKJGZBCYZIL-UHFFFAOYSA-N -1 3 307.697 0.707 10 0 DCAEHM Cc1cc(O)ccc1N1C(=O)C[C@@H](SC[C@H](N)C(=O)[O-])C1=O ZINC000016900383 182063188 /nfs/dbraw/zinc/06/31/88/182063188.db2.gz DXXOAHHVUPJTLH-GXSJLCMTSA-N -1 3 324.358 0.478 10 0 DCAEHM CC(C)C[C@H](NC(=O)[C@H](O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-] ZINC000017125733 182076216 /nfs/dbraw/zinc/07/62/16/182076216.db2.gz FRMXVEDKXFUWRZ-MELADBBJSA-N -1 3 324.377 0.238 10 0 DCAEHM CC[C@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c1nccs1 ZINC000193938923 395782789 /nfs/dbraw/zinc/78/27/89/395782789.db2.gz BSYWSFIBVGBGDD-IUCAKERBSA-N -1 3 305.425 0.990 10 0 DCAEHM CN1CCCc2cc(NC(=O)CN3CC(=O)[N-]C3=O)ccc21 ZINC000111620149 395810702 /nfs/dbraw/zinc/81/07/02/395810702.db2.gz UQPHAXHNPHGSKP-UHFFFAOYSA-N -1 3 302.334 0.559 10 0 DCAEHM COc1ccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c([O-])c1 ZINC000115164899 395838329 /nfs/dbraw/zinc/83/83/29/395838329.db2.gz KALOEOBWXRPHPO-ZDUSSCGKSA-N -1 3 306.362 0.994 10 0 DCAEHM Cn1cc([C@H]2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)cn1 ZINC000116466430 395844049 /nfs/dbraw/zinc/84/40/49/395844049.db2.gz IJVWJGJIIKGTMZ-NSHDSACASA-N -1 3 324.340 0.933 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](C)C2)cn1 ZINC000274519983 395954878 /nfs/dbraw/zinc/95/48/78/395954878.db2.gz NSWRIPPCABEWSY-VIFPVBQESA-N -1 3 315.420 0.567 10 0 DCAEHM C[C@H](CO)[C@H](C)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000151936444 395997030 /nfs/dbraw/zinc/99/70/30/395997030.db2.gz ROHOTUJYUYKOJS-BDAKNGLRSA-N -1 3 306.409 0.160 10 0 DCAEHM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CNCC[C@@H]1C ZINC000261618227 396049509 /nfs/dbraw/zinc/04/95/09/396049509.db2.gz BLJQPDDGPAFQAI-JGVFFNPUSA-N -1 3 319.408 0.206 10 0 DCAEHM COc1ccc(NC(=O)[C@@H](N)C(C)C)cc1[N-]S(C)(=O)=O ZINC000262690802 396173432 /nfs/dbraw/zinc/17/34/32/396173432.db2.gz AHURRPCFURNHMW-LBPRGKRZSA-N -1 3 315.395 0.989 10 0 DCAEHM Cn1nc(C2CCCC2)cc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000184046024 396281960 /nfs/dbraw/zinc/28/19/60/396281960.db2.gz YORFGBFZTBLRBT-UHFFFAOYSA-N -1 3 305.338 0.568 10 0 DCAEHM Cc1csc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)n1 ZINC000373844065 396617885 /nfs/dbraw/zinc/61/78/85/396617885.db2.gz ILVVYNVOBPBWRG-CYBMUJFWSA-N -1 3 323.378 0.064 10 0 DCAEHM CS(=O)(=O)CC1(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])CC1 ZINC000572250420 397038069 /nfs/dbraw/zinc/03/80/69/397038069.db2.gz SUQHNGCPCUWMJX-QJPTWQEYSA-N -1 3 301.408 0.996 10 0 DCAEHM Cc1nc2ccccn2c1CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000578836822 397489907 /nfs/dbraw/zinc/48/99/07/397489907.db2.gz GDYGHDAJKVUONP-MRXNPFEDSA-N -1 3 313.361 0.817 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H](C)C(C)C)cn1C ZINC000120605627 158200466 /nfs/dbraw/zinc/20/04/66/158200466.db2.gz YDJMEBZMESOQKS-SNVBAGLBSA-N -1 3 316.427 0.558 10 0 DCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125056676 158250530 /nfs/dbraw/zinc/25/05/30/158250530.db2.gz IQETYRADRHVHGH-LLVKDONJSA-N -1 3 305.338 0.104 10 0 DCAEHM O=C(CNC(=O)c1ccccn1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000172522805 158394951 /nfs/dbraw/zinc/39/49/51/158394951.db2.gz WTEPUXUBHLJMGC-UHFFFAOYSA-N -1 3 323.316 0.630 10 0 DCAEHM O=C(CNC(=O)c1ccccn1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000172522805 158394952 /nfs/dbraw/zinc/39/49/52/158394952.db2.gz WTEPUXUBHLJMGC-UHFFFAOYSA-N -1 3 323.316 0.630 10 0 DCAEHM O=C(CNC(=O)c1ccccn1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000172522805 158394953 /nfs/dbraw/zinc/39/49/53/158394953.db2.gz WTEPUXUBHLJMGC-UHFFFAOYSA-N -1 3 323.316 0.630 10 0 DCAEHM COCCN1CCCN([C@@H](C)C(=O)[N-]c2cc(C)no2)CC1=O ZINC000190772891 158563273 /nfs/dbraw/zinc/56/32/73/158563273.db2.gz FSSWSAKDDKEOFQ-LBPRGKRZSA-N -1 3 324.381 0.491 10 0 DCAEHM CC(C)(C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccccc1F ZINC000408032880 160017351 /nfs/dbraw/zinc/01/73/51/160017351.db2.gz DHWHZPXRKXVMPD-GFCCVEGCSA-N -1 3 319.336 0.866 10 0 DCAEHM CNC(=O)C1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000408410015 160102497 /nfs/dbraw/zinc/10/24/97/160102497.db2.gz HYGKXCKFBDBSBL-UHFFFAOYSA-N -1 3 304.346 0.924 10 0 DCAEHM CCc1n[n-]c(S(=O)(=O)CC(=O)Nc2ccccc2F)n1 ZINC000153145344 287047152 /nfs/dbraw/zinc/04/71/52/287047152.db2.gz IFTSBFUIMYWRBU-UHFFFAOYSA-N -1 3 312.326 0.919 10 0 DCAEHM CCc1nnc(S(=O)(=O)CC(=O)Nc2ccccc2F)[n-]1 ZINC000153145344 287047155 /nfs/dbraw/zinc/04/71/55/287047155.db2.gz IFTSBFUIMYWRBU-UHFFFAOYSA-N -1 3 312.326 0.919 10 0 DCAEHM O=C(CNC(=O)c1cccnc1)NCc1ccc([O-])c(F)c1 ZINC000127135674 415883280 /nfs/dbraw/zinc/88/32/80/415883280.db2.gz DOELWSMHTBZEAS-UHFFFAOYSA-N -1 3 303.293 0.973 10 0 DCAEHM C/C=C/C[C@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)OCC ZINC000357145486 416037125 /nfs/dbraw/zinc/03/71/25/416037125.db2.gz BWZVDUAWJDSFAD-ZRQQLDRUSA-N -1 3 315.395 0.905 10 0 DCAEHM COc1nnc(NC(=O)Cn2c(=O)cnc3ccccc32)[n-]1 ZINC000179376617 416187311 /nfs/dbraw/zinc/18/73/11/416187311.db2.gz RJZUGBWCCNBOOG-UHFFFAOYSA-N -1 3 300.278 0.162 10 0 DCAEHM COc1nc(NC(=O)Cn2c(=O)cnc3ccccc32)n[n-]1 ZINC000179376617 416187312 /nfs/dbraw/zinc/18/73/12/416187312.db2.gz RJZUGBWCCNBOOG-UHFFFAOYSA-N -1 3 300.278 0.162 10 0 DCAEHM COc1n[n-]c(NC(=O)Cn2c(=O)cnc3ccccc32)n1 ZINC000179376617 416187315 /nfs/dbraw/zinc/18/73/15/416187315.db2.gz RJZUGBWCCNBOOG-UHFFFAOYSA-N -1 3 300.278 0.162 10 0 DCAEHM Cc1ccc2c(c1)[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@H](C)C2 ZINC000181104971 416204783 /nfs/dbraw/zinc/20/47/83/416204783.db2.gz JNPRXDWXUJWXQF-LQJRIPTKSA-N -1 3 301.346 0.943 10 0 DCAEHM COc1nnc(NC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)[n-]1 ZINC000245596065 416331279 /nfs/dbraw/zinc/33/12/79/416331279.db2.gz IPDRBHBYQWWGBM-OUAUKWLOSA-N -1 3 311.386 0.886 10 0 DCAEHM COc1nc(NC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)n[n-]1 ZINC000245596065 416331280 /nfs/dbraw/zinc/33/12/80/416331280.db2.gz IPDRBHBYQWWGBM-OUAUKWLOSA-N -1 3 311.386 0.886 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000245596065 416331281 /nfs/dbraw/zinc/33/12/81/416331281.db2.gz IPDRBHBYQWWGBM-OUAUKWLOSA-N -1 3 311.386 0.886 10 0 DCAEHM CC(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)cc1[O-] ZINC000425293550 416689924 /nfs/dbraw/zinc/68/99/24/416689924.db2.gz KWVZNQDMBRPJEM-CYBMUJFWSA-N -1 3 322.361 0.018 10 0 DCAEHM COc1cccc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c1[O-] ZINC000616768537 417107287 /nfs/dbraw/zinc/10/72/87/417107287.db2.gz GRKLWSVOEXTIIL-MDZLAQPJSA-N -1 3 303.318 0.702 10 0 DCAEHM COc1cc(C(N)=O)ccc1[N-]S(=O)(=O)N1CCC[C@@H]1C ZINC000451114187 417297823 /nfs/dbraw/zinc/29/78/23/417297823.db2.gz KCMLDAQDPJIEAP-VIFPVBQESA-N -1 3 313.379 0.935 10 0 DCAEHM CC(C)c1[nH]nc(C(N)=O)c1[N-]S(=O)(=O)N1CCC[C@H]1C ZINC000451117702 417302936 /nfs/dbraw/zinc/30/29/36/417302936.db2.gz UXQJWQZFDYOGMQ-MRVPVSSYSA-N -1 3 315.399 0.773 10 0 DCAEHM COc1ccsc1S(=O)(=O)[N-]Cc1cc(C(N)=O)co1 ZINC000188243118 261125789 /nfs/dbraw/zinc/12/57/89/261125789.db2.gz CISIKXKTDQXHCA-UHFFFAOYSA-N -1 3 316.360 0.927 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2CCN(C(C)(C)C(=O)OC)CC2)n1 ZINC000494388468 272221075 /nfs/dbraw/zinc/22/10/75/272221075.db2.gz UFHZOSRZPBLOKJ-UHFFFAOYSA-N -1 3 322.409 0.814 10 0 DCAEHM Cc1cc(CCNC(=O)CNC(=O)c2ccc([O-])cc2)on1 ZINC000552367121 288273605 /nfs/dbraw/zinc/27/36/05/288273605.db2.gz YAHZRNYWAIKTCN-UHFFFAOYSA-N -1 3 303.318 0.777 10 0 DCAEHM Cn1nnc2c1nccc2C(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000554674037 288335123 /nfs/dbraw/zinc/33/51/23/288335123.db2.gz CONIZMRGHXICRB-UHFFFAOYSA-N -1 3 300.326 0.962 10 0 DCAEHM C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000332994347 338561944 /nfs/dbraw/zinc/56/19/44/338561944.db2.gz NFSHKIWZJBSBRI-RSQPEXBXSA-N -1 3 324.381 0.326 10 0 DCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@H](C(N)=O)c1ccc(F)cc1 ZINC000190475024 525595478 /nfs/dbraw/zinc/59/54/78/525595478.db2.gz ALNXLHLEJIVXBY-AXTRIDKLSA-N -1 3 316.354 0.449 10 0 DCAEHM CC(=O)N1CC[C@H](C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1 ZINC000519058408 546281086 /nfs/dbraw/zinc/28/10/86/546281086.db2.gz YXWGWOOVXCGWMH-LBPRGKRZSA-N -1 3 314.349 0.597 10 0 DCAEHM CC(=O)N1CC[C@H](C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1 ZINC000519058408 546281088 /nfs/dbraw/zinc/28/10/88/546281088.db2.gz YXWGWOOVXCGWMH-LBPRGKRZSA-N -1 3 314.349 0.597 10 0 DCAEHM COc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)s1 ZINC000311670062 659348553 /nfs/dbraw/zinc/34/85/53/659348553.db2.gz HEQLRVNARHSDSM-BDAKNGLRSA-N -1 3 306.409 0.981 10 0 DCAEHM CC(=O)N1CCN(C(=O)c2cc3c(cc2[O-])OCO3)[C@@H](C)C1 ZINC000436593317 663510928 /nfs/dbraw/zinc/51/09/28/663510928.db2.gz DFIQUTTWYVYRTH-VIFPVBQESA-N -1 3 306.318 0.814 10 0 DCAEHM CN(C)c1nc([C@@H]2CCN(C(=O)c3cc[nH]n3)C2)cc(=O)[n-]1 ZINC000864841466 667288368 /nfs/dbraw/zinc/28/83/68/667288368.db2.gz MKPQTRBNFOJJBJ-SECBINFHSA-N -1 3 302.338 0.601 10 0 DCAEHM CN(C)c1nc([C@@H]2CCN(C(=O)c3ccn[nH]3)C2)cc(=O)[n-]1 ZINC000864841466 667288370 /nfs/dbraw/zinc/28/83/70/667288370.db2.gz MKPQTRBNFOJJBJ-SECBINFHSA-N -1 3 302.338 0.601 10 0 DCAEHM O=C([O-])c1ccc(CNCCS(=O)(=O)N2CCCC2)s1 ZINC000721988953 685319103 /nfs/dbraw/zinc/31/91/03/685319103.db2.gz SHHQPUNZXQZUAS-UHFFFAOYSA-N -1 3 318.420 0.962 10 0 DCAEHM O=C1C[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CN1 ZINC000398414844 1158118615 /nfs/dbraw/zinc/11/86/15/1158118615.db2.gz VOGTZEHAENZXPA-ZCFIWIBFSA-N -1 3 307.734 0.289 10 0 DCAEHM CC(C)(C[N-]S(=O)(=O)c1cccnc1F)S(C)(=O)=O ZINC000401812389 774066876 /nfs/dbraw/zinc/06/68/76/774066876.db2.gz GKPBEJGJPNTOPA-UHFFFAOYSA-N -1 3 310.372 0.322 10 0 DCAEHM C[C@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@H]1N1CCOCC1 ZINC000173973437 290774297 /nfs/dbraw/zinc/77/42/97/290774297.db2.gz HUFQETAETSPBFZ-XHDPSFHLSA-N -1 3 315.377 0.751 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCCNc1cccc(F)c1 ZINC000182120075 199389547 /nfs/dbraw/zinc/38/95/47/199389547.db2.gz UYZKSASJXOADFR-UHFFFAOYSA-N -1 3 308.313 0.296 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccnn2C)c(C)o1 ZINC000175561599 198491921 /nfs/dbraw/zinc/49/19/21/198491921.db2.gz GZSUVGWUSZSTNB-UHFFFAOYSA-N -1 3 312.351 0.160 10 0 DCAEHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccnn2C)oc1C ZINC000080254094 192016543 /nfs/dbraw/zinc/01/65/43/192016543.db2.gz LCLXGMRCFKCDHZ-UHFFFAOYSA-N -1 3 313.335 0.587 10 0 DCAEHM CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)[O-])[C@@H](C)CC ZINC000039814456 183022314 /nfs/dbraw/zinc/02/23/14/183022314.db2.gz WIZPFZKOFZXDQG-HTFCKZLJSA-N -1 3 315.414 0.480 10 0 DCAEHM CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-] ZINC000040471351 183073138 /nfs/dbraw/zinc/07/31/38/183073138.db2.gz KYPMKDGKAYQCHO-NWDGAFQWSA-N -1 3 312.391 0.585 10 0 endogenous,in-man DCAEHM CN(CCc1ccc(F)cc1)C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000056228113 184007469 /nfs/dbraw/zinc/00/74/69/184007469.db2.gz HENQCZQMSQBLMY-GFCCVEGCSA-N -1 3 307.325 0.815 10 0 DCAEHM C[C@@H]1CCCN(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)C1 ZINC000340596311 253282411 /nfs/dbraw/zinc/28/24/11/253282411.db2.gz OCKNUJMXZFUAKA-RKDXNWHRSA-N -1 3 304.334 0.866 10 0 DCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000035177071 395719364 /nfs/dbraw/zinc/71/93/64/395719364.db2.gz SAVCDSKUESOWES-MXWKQRLJSA-N -1 3 308.400 0.128 10 0 DCAEHM Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)s1 ZINC000084796645 395699556 /nfs/dbraw/zinc/69/95/56/395699556.db2.gz ZIQFRUYLPBQOSS-LLVKDONJSA-N -1 3 315.376 0.029 10 0 DCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cn3cnnn3)cc2)n1 ZINC000195489146 395829116 /nfs/dbraw/zinc/82/91/16/395829116.db2.gz JNWUVPNAMBNAMM-UHFFFAOYSA-N -1 3 311.305 0.371 10 0 DCAEHM O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ccc2n[n-]nc2c1 ZINC000115164219 395838260 /nfs/dbraw/zinc/83/82/60/395838260.db2.gz HQYWTRBOWSIRIQ-GFCCVEGCSA-N -1 3 301.350 0.551 10 0 DCAEHM CC(C)c1nnc2n1C[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)CC2 ZINC000272383376 395887614 /nfs/dbraw/zinc/88/76/14/395887614.db2.gz SECIBWSODZKMSL-JTQLQIEISA-N -1 3 324.410 0.428 10 0 DCAEHM COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)[N-]C(C)(C)C(=O)OC ZINC000234573409 395888849 /nfs/dbraw/zinc/88/88/49/395888849.db2.gz XHFOHEMTURXLFN-IUCAKERBSA-N -1 3 307.368 0.199 10 0 DCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000245445339 395929777 /nfs/dbraw/zinc/92/97/77/395929777.db2.gz YUROLMRTWJQVEV-SDDRHHMPSA-N -1 3 319.365 0.471 10 0 DCAEHM C[C@@H](CO)N(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000135586153 395941351 /nfs/dbraw/zinc/94/13/51/395941351.db2.gz XIOSLEXVJJXUKP-VIFPVBQESA-N -1 3 306.409 0.256 10 0 DCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]C[C@@]1(O)CCc2ccccc21 ZINC000248930134 395999964 /nfs/dbraw/zinc/99/99/64/395999964.db2.gz MFXSTUTXJXNSEA-CQDKDKBSSA-N -1 3 311.403 0.917 10 0 DCAEHM CCCN(CCC)S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061145583 395966799 /nfs/dbraw/zinc/96/67/99/395966799.db2.gz FEUYRNMJZSBPOW-UHFFFAOYSA-N -1 3 321.443 0.446 10 0 DCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NCCCc1cccc(F)c1 ZINC000068498193 396057980 /nfs/dbraw/zinc/05/79/80/396057980.db2.gz RCORRBHQERCXKU-GFCCVEGCSA-N -1 3 307.325 0.863 10 0 DCAEHM NC(=O)Cn1cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)nn1 ZINC000182677932 396252649 /nfs/dbraw/zinc/25/26/49/396252649.db2.gz IVUJWNSFNLLXIT-UHFFFAOYSA-N -1 3 318.341 0.112 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000186192138 396343955 /nfs/dbraw/zinc/34/39/55/396343955.db2.gz RXBIDTSJVRKOMK-VIFPVBQESA-N -1 3 323.299 0.833 10 0 DCAEHM CS(=O)(=O)CC1(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])CC1 ZINC000572250423 397038685 /nfs/dbraw/zinc/03/86/85/397038685.db2.gz SUQHNGCPCUWMJX-TUAOUCFPSA-N -1 3 301.408 0.996 10 0 DCAEHM CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000364516263 397213853 /nfs/dbraw/zinc/21/38/53/397213853.db2.gz DIBVCVVVOVDUCM-LLVKDONJSA-N -1 3 318.362 0.727 10 0 DCAEHM CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000364516263 397213858 /nfs/dbraw/zinc/21/38/58/397213858.db2.gz DIBVCVVVOVDUCM-LLVKDONJSA-N -1 3 318.362 0.727 10 0 DCAEHM COc1ccc2nc(NC(=O)C[C@H]3NC(=O)[N-]C3=O)sc2c1 ZINC000074728872 158059969 /nfs/dbraw/zinc/05/99/69/158059969.db2.gz FCWGHRMIZVMMHU-MRVPVSSYSA-N -1 3 320.330 0.842 10 0 DCAEHM Cc1ccc2c(=O)c(C(=O)N3CCN(CCO)CC3)c[n-]c2n1 ZINC000120894912 158205532 /nfs/dbraw/zinc/20/55/32/158205532.db2.gz QTOFOKOKBUGNRL-UHFFFAOYSA-N -1 3 316.361 0.394 10 0 DCAEHM Cc1ccc2c([O-])c(C(=O)N3CCN(CCO)CC3)cnc2n1 ZINC000120894912 158205533 /nfs/dbraw/zinc/20/55/33/158205533.db2.gz QTOFOKOKBUGNRL-UHFFFAOYSA-N -1 3 316.361 0.394 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000328916299 159040790 /nfs/dbraw/zinc/04/07/90/159040790.db2.gz AIKTZQPNULTXJJ-MNOVXSKESA-N -1 3 304.306 0.704 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329479628 159096549 /nfs/dbraw/zinc/09/65/49/159096549.db2.gz QNBHMSAFEPQVTP-LLVKDONJSA-N -1 3 322.365 0.240 10 0 DCAEHM C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cn(C)c(=O)[n-]c2=O)C1 ZINC000408221721 160063165 /nfs/dbraw/zinc/06/31/65/160063165.db2.gz KPNIGIUGXGRNRK-MGPLVRAMSA-N -1 3 323.393 0.793 10 0 DCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000408279196 160075100 /nfs/dbraw/zinc/07/51/00/160075100.db2.gz IEACFGDREDTWJH-INIZCTEOSA-N -1 3 320.345 0.982 10 0 DCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153413763 287049787 /nfs/dbraw/zinc/04/97/87/287049787.db2.gz YLHYLKKUEOYLMB-JTQLQIEISA-N -1 3 318.308 0.592 10 0 DCAEHM C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)c1nnc[n-]1 ZINC000246048216 287075759 /nfs/dbraw/zinc/07/57/59/287075759.db2.gz ALXUWTQCIDKUFK-BBBLOLIVSA-N -1 3 300.384 0.471 10 0 DCAEHM CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1=O ZINC000333194331 415582494 /nfs/dbraw/zinc/58/24/94/415582494.db2.gz SZQRQZBUFGHOBG-WRWGMCAJSA-N -1 3 314.407 0.630 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000122023263 415820984 /nfs/dbraw/zinc/82/09/84/415820984.db2.gz OQAPFFUCJQUCTL-GXTWGEPZSA-N -1 3 306.410 0.897 10 0 DCAEHM COc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)[n-]1 ZINC000179360645 416185862 /nfs/dbraw/zinc/18/58/62/416185862.db2.gz GGVCXERAUNHDDA-UHFFFAOYSA-N -1 3 314.305 0.552 10 0 DCAEHM COc1nc(NC(=O)CCn2cnc3ccccc3c2=O)n[n-]1 ZINC000179360645 416185867 /nfs/dbraw/zinc/18/58/67/416185867.db2.gz GGVCXERAUNHDDA-UHFFFAOYSA-N -1 3 314.305 0.552 10 0 DCAEHM COc1n[n-]c(NC(=O)CCn2cnc3ccccc3c2=O)n1 ZINC000179360645 416185869 /nfs/dbraw/zinc/18/58/69/416185869.db2.gz GGVCXERAUNHDDA-UHFFFAOYSA-N -1 3 314.305 0.552 10 0 DCAEHM COC(=O)[C@H]1C[C@H](OC)CN1CCC[N-]C(=O)C(F)(F)F ZINC000180648194 416200102 /nfs/dbraw/zinc/20/01/02/416200102.db2.gz QNXHDKFZKIOSRN-DTWKUNHWSA-N -1 3 312.288 0.317 10 0 DCAEHM CC(=O)N1CCC[C@@H]1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331129578 416270550 /nfs/dbraw/zinc/27/05/50/416270550.db2.gz RTBKQRHUAAFGKW-SSDOTTSWSA-N -1 3 305.260 0.451 10 0 DCAEHM CC(=O)N1CCC[C@@H]1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331129578 416270554 /nfs/dbraw/zinc/27/05/54/416270554.db2.gz RTBKQRHUAAFGKW-SSDOTTSWSA-N -1 3 305.260 0.451 10 0 DCAEHM CC(=O)N1CCC[C@@H]1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331129578 416270556 /nfs/dbraw/zinc/27/05/56/416270556.db2.gz RTBKQRHUAAFGKW-SSDOTTSWSA-N -1 3 305.260 0.451 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000436716761 416568136 /nfs/dbraw/zinc/56/81/36/416568136.db2.gz QWWRIGPSFMMNGG-MNOVXSKESA-N -1 3 322.361 0.887 10 0 DCAEHM O=S(=O)([N-]CC[C@]1(O)CCOC1)c1ccc(F)cc1F ZINC000404151348 417116950 /nfs/dbraw/zinc/11/69/50/417116950.db2.gz NOPFIVJRJKGCJJ-LBPRGKRZSA-N -1 3 307.318 0.785 10 0 DCAEHM CCc1nnc2n1C[C@@H](NC(=O)c1cc(F)c[n-]c1=O)CC2 ZINC000621817637 417302322 /nfs/dbraw/zinc/30/23/22/417302322.db2.gz CSBOFKGFUUIWMG-VIFPVBQESA-N -1 3 305.313 0.825 10 0 DCAEHM O=C(/C=C/c1cncc([O-])c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000182005391 261115661 /nfs/dbraw/zinc/11/56/61/261115661.db2.gz OPXUUKQDPVPDPW-FAAWYNLUSA-N -1 3 314.345 0.925 10 0 DCAEHM CC(=O)N1CCC[C@H](CNC(=O)NCc2ncccc2[O-])C1 ZINC000354801972 261273233 /nfs/dbraw/zinc/27/32/33/261273233.db2.gz KDWFIRMROKSTCE-GFCCVEGCSA-N -1 3 306.366 0.845 10 0 DCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000174384255 279692835 /nfs/dbraw/zinc/69/28/35/279692835.db2.gz ZNZRNRMFPZPPMH-JTQLQIEISA-N -1 3 300.318 0.453 10 0 DCAEHM O=C(N[C@@H]1CCCn2ncnc21)c1nnc2ccccc2c1[O-] ZINC000175711493 657459916 /nfs/dbraw/zinc/45/99/16/657459916.db2.gz SVMWSHDLXZHBTJ-LLVKDONJSA-N -1 3 310.317 0.780 10 0 DCAEHM O=S(=O)([N-]CC1(CO)CCOCC1)c1cccnc1F ZINC000700976068 666787787 /nfs/dbraw/zinc/78/77/87/666787787.db2.gz OIFCLWFBNRZDBC-UHFFFAOYSA-N -1 3 304.343 0.288 10 0 DCAEHM NC(=O)Cn1cc([N-]S(=O)(=O)/C=C\c2ccccc2)cn1 ZINC000047251574 669926719 /nfs/dbraw/zinc/92/67/19/669926719.db2.gz UGPBBZXYWBHAJS-SREVYHEPSA-N -1 3 306.347 0.781 10 0 DCAEHM O=S(=O)([N-]CC[C@@H]1CCCS1(=O)=O)c1cccnc1F ZINC000714370566 670185247 /nfs/dbraw/zinc/18/52/47/670185247.db2.gz BQSLBYBMBAJMJZ-VIFPVBQESA-N -1 3 322.383 0.466 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCCC23OCCO3)nn1 ZINC000716015557 670231000 /nfs/dbraw/zinc/23/10/00/670231000.db2.gz MIUZIUBNTKGFHG-LLVKDONJSA-N -1 3 313.379 0.749 10 0 DCAEHM O=S(=O)([N-]CCn1cncn1)c1cnc(Cl)c(F)c1 ZINC000381275110 1158372002 /nfs/dbraw/zinc/37/20/02/1158372002.db2.gz JBZCHCHSQFHIHU-UHFFFAOYSA-N -1 3 305.722 0.444 10 0 DCAEHM O=S(=O)([N-][C@H]1CCCS(=O)(=O)C1)c1cccnc1F ZINC000401832379 774067647 /nfs/dbraw/zinc/06/76/47/774067647.db2.gz NSRKNCSGSYRKKB-QMMMGPOBSA-N -1 3 308.356 0.076 10 0 DCAEHM C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cccnc1F ZINC000401837457 774067859 /nfs/dbraw/zinc/06/78/59/774067859.db2.gz PGQCVIFMKLMZEE-SECBINFHSA-N -1 3 301.343 0.510 10 0 DCAEHM CN1CCCN(C(=O)CN2CC(=O)[N-]C2=O)c2ccccc21 ZINC000172362197 198085338 /nfs/dbraw/zinc/08/53/38/198085338.db2.gz YZSPMEUXMALCBV-UHFFFAOYSA-N -1 3 302.334 0.411 10 0 DCAEHM C[C@@H](O)C(C)(C)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000167133482 291248978 /nfs/dbraw/zinc/24/89/78/291248978.db2.gz UROZDMXXXJWVJW-SECBINFHSA-N -1 3 320.436 0.692 10 0 DCAEHM C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000282562144 217090437 /nfs/dbraw/zinc/09/04/37/217090437.db2.gz OINUZXWDIXTKMG-IONNQARKSA-N -1 3 303.771 0.680 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)C[C@@H](C)O1 ZINC000340596660 253282321 /nfs/dbraw/zinc/28/23/21/253282321.db2.gz OWBXTBZTHJLHOX-IWSPIJDZSA-N -1 3 320.333 0.243 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H](O)C2)c(C)o1 ZINC000089419312 395711324 /nfs/dbraw/zinc/71/13/24/395711324.db2.gz LMPOKMHKRUFFEQ-GZMMTYOYSA-N -1 3 316.379 0.339 10 0 DCAEHM O=C(NC[C@H]1CN(C2CC2)CCO1)c1ccc2n[n-]nc2c1 ZINC000115164220 395838350 /nfs/dbraw/zinc/83/83/50/395838350.db2.gz HQYWTRBOWSIRIQ-LBPRGKRZSA-N -1 3 301.350 0.551 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCc1cc2ccccc2o1 ZINC000123680275 395896471 /nfs/dbraw/zinc/89/64/71/395896471.db2.gz VWOUHSYWVFGAPG-UHFFFAOYSA-N -1 3 301.302 0.643 10 0 DCAEHM Cc1nc2c(s1)[C@@H](N(C)C(=O)CN1CC(=O)[N-]C1=O)CCC2 ZINC000134911435 395935758 /nfs/dbraw/zinc/93/57/58/395935758.db2.gz MOPBDHBQPTYHLK-JTQLQIEISA-N -1 3 322.390 0.839 10 0 DCAEHM Cc1cc(=O)[n-]c(CNc2nccc(N3CCC[C@H](O)C3)n2)n1 ZINC000065382983 395993389 /nfs/dbraw/zinc/99/33/89/395993389.db2.gz YCAGVXICOWAQID-NSHDSACASA-N -1 3 316.365 0.442 10 0 DCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCc3ncnn3C2)s1 ZINC000176920565 396163754 /nfs/dbraw/zinc/16/37/54/396163754.db2.gz FPADYRXQTAEAMG-VIFPVBQESA-N -1 3 313.408 0.645 10 0 DCAEHM COc1nc(NC(=O)c2cc(Cn3cc(C)cn3)on2)n[n-]1 ZINC000182982418 396258267 /nfs/dbraw/zinc/25/82/67/396258267.db2.gz NBKRBUKXKIIRBJ-UHFFFAOYSA-N -1 3 303.282 0.607 10 0 DCAEHM CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2ccccn2)C1 ZINC000263462014 396217126 /nfs/dbraw/zinc/21/71/26/396217126.db2.gz DXPWMYJFCGVYKF-UHFFFAOYSA-N -1 3 313.379 0.297 10 0 DCAEHM CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2ccccn2)C1 ZINC000263462014 396217127 /nfs/dbraw/zinc/21/71/27/396217127.db2.gz DXPWMYJFCGVYKF-UHFFFAOYSA-N -1 3 313.379 0.297 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)c2cnc3c(c2)nnn3C)n[n-]1 ZINC000185536163 396329778 /nfs/dbraw/zinc/32/97/78/396329778.db2.gz NBXAFHRNEVUIRO-UHFFFAOYSA-N -1 3 323.320 0.739 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)c2cnc3c(c2)nnn3C)[n-]n1 ZINC000185536163 396329782 /nfs/dbraw/zinc/32/97/82/396329782.db2.gz NBXAFHRNEVUIRO-UHFFFAOYSA-N -1 3 323.320 0.739 10 0 DCAEHM COC(=O)[C@@]1(C)CCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000187657147 396372313 /nfs/dbraw/zinc/37/23/13/396372313.db2.gz PANFDRBXKGJJHL-MRXNPFEDSA-N -1 3 321.377 0.873 10 0 DCAEHM CC(C)N(CC(=O)[O-])C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000630573412 397050530 /nfs/dbraw/zinc/05/05/30/397050530.db2.gz VYCSHLVVQALLHV-CQSZACIVSA-N -1 3 307.394 0.767 10 0 DCAEHM CCN1C(=O)[C@@H]2CN(C(=O)c3cccc([O-])c3)CCN2C1=O ZINC000378562410 397256239 /nfs/dbraw/zinc/25/62/39/397256239.db2.gz KGRZVHGORZIRKI-LBPRGKRZSA-N -1 3 303.318 0.501 10 0 DCAEHM CSc1ccccc1C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000084796371 158089194 /nfs/dbraw/zinc/08/91/94/158089194.db2.gz ZMKPSONKVRGAGT-AWEZNQCLSA-N -1 3 305.359 0.833 10 0 DCAEHM CCc1nc2n(n1)C[C@H](NC(=O)c1ccc3n[n-]nc3c1)CC2 ZINC000114872259 158159323 /nfs/dbraw/zinc/15/93/23/158159323.db2.gz MEXBONPQLKTVAD-SNVBAGLBSA-N -1 3 311.349 0.857 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2CCO[C@H](c3nnc(C)[nH]3)C2)n1 ZINC000121560884 158211601 /nfs/dbraw/zinc/21/16/01/158211601.db2.gz LZRBSOYZCMCGGQ-NSHDSACASA-N -1 3 304.354 0.745 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2CCO[C@H](c3n[nH]c(C)n3)C2)n1 ZINC000121560884 158211603 /nfs/dbraw/zinc/21/16/03/158211603.db2.gz LZRBSOYZCMCGGQ-NSHDSACASA-N -1 3 304.354 0.745 10 0 DCAEHM C[C@@H](CO)[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000131222359 158300303 /nfs/dbraw/zinc/30/03/03/158300303.db2.gz VFKPQOXINUAUOF-UWVGGRQHSA-N -1 3 320.436 0.550 10 0 DCAEHM O=S(=O)([N-]C1(C(F)F)CC1)c1cnn([C@H]2CCOC2)c1 ZINC000328639198 159016985 /nfs/dbraw/zinc/01/69/85/159016985.db2.gz DQFACGFQCVNCPI-QMMMGPOBSA-N -1 3 307.322 0.921 10 0 DCAEHM Cn1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)c(=O)[n-]c1=O ZINC000329213479 159074192 /nfs/dbraw/zinc/07/41/92/159074192.db2.gz JNIMIWCVYVKHMH-SECBINFHSA-N -1 3 320.374 0.962 10 0 DCAEHM CCN1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C(C)(C)C1=O ZINC000407986581 160003729 /nfs/dbraw/zinc/00/37/29/160003729.db2.gz APXVZMHSVNRANB-UHFFFAOYSA-N -1 3 321.381 0.331 10 0 DCAEHM CN(C)c1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc(=O)[n-]1 ZINC000407993330 160005700 /nfs/dbraw/zinc/00/57/00/160005700.db2.gz XPVUVLFSLORUBX-MNOVXSKESA-N -1 3 305.382 0.557 10 0 DCAEHM CC[C@@H]1CN(C(=O)c2cncc([O-])c2)C[C@@H]1N1CCOCC1 ZINC000408004145 160008675 /nfs/dbraw/zinc/00/86/75/160008675.db2.gz 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ZINC000174742164 416086779 /nfs/dbraw/zinc/08/67/79/416086779.db2.gz UNJPSZLPXAEJGB-KXUCPTDWSA-N -1 3 308.382 0.836 10 0 DCAEHM Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccc3n[n-]nc3c2)cn1 ZINC000190043055 416274597 /nfs/dbraw/zinc/27/45/97/416274597.db2.gz WVSPAAOUKBHOQT-GXTWGEPZSA-N -1 3 312.333 0.951 10 0 DCAEHM C[C@H]1COCC[C@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000192787078 416311436 /nfs/dbraw/zinc/31/14/36/416311436.db2.gz HZTYJEHAIDEUKR-SMDDNHRTSA-N -1 3 306.362 0.911 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2CCO[C@H](c3nncn3CC)C2)n1 ZINC000583622066 416480861 /nfs/dbraw/zinc/48/08/61/416480861.db2.gz JGBRSOGSGCFYAG-LBPRGKRZSA-N -1 3 318.381 0.930 10 0 DCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(c2ccccc2)CC1 ZINC000360181557 261805526 /nfs/dbraw/zinc/80/55/26/261805526.db2.gz CSHORQLPNLVROM-UHFFFAOYSA-N -1 3 315.333 0.432 10 0 DCAEHM CC(C)(C)n1cnc([N-]C(=O)c2cn(CC3(C)COC3)nn2)n1 ZINC000546050379 288014235 /nfs/dbraw/zinc/01/42/35/288014235.db2.gz VEUKIOCNRPUBHC-UHFFFAOYSA-N -1 3 319.369 0.913 10 0 DCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(CCO)CC1 ZINC000157280352 522450902 /nfs/dbraw/zinc/45/09/02/522450902.db2.gz CUNSFARZMVAEGA-UHFFFAOYSA-N -1 3 319.404 0.976 10 0 DCAEHM CN(C)c1nc([C@H]2CCN(c3nccc(CO)n3)C2)cc(=O)[n-]1 ZINC000888099197 661178274 /nfs/dbraw/zinc/17/82/74/661178274.db2.gz UMVBUKKHVHMKBR-JTQLQIEISA-N -1 3 316.365 0.524 10 0 DCAEHM Cc1nc(C)c(CC(=O)O[C@H](C(=O)N(C)C)C(C)C)c(=O)[n-]1 ZINC000729704043 662907845 /nfs/dbraw/zinc/90/78/45/662907845.db2.gz MZEMHDSPOYSWEQ-ZDUSSCGKSA-N -1 3 309.366 0.998 10 0 DCAEHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909185715 663784493 /nfs/dbraw/zinc/78/44/93/663784493.db2.gz BXXFLJDABFVBPF-KYOSRNDESA-N -1 3 305.309 0.761 10 0 DCAEHM CC[S@@](=O)CCNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000734512593 666884585 /nfs/dbraw/zinc/88/45/85/666884585.db2.gz LEYJEOPPRYISPU-OAQYLSRUSA-N -1 3 309.347 0.460 10 0 DCAEHM CN(C)c1nc([C@H]2CCN(C(=O)c3cncn3C)C2)cc(=O)[n-]1 ZINC000864836025 667287794 /nfs/dbraw/zinc/28/77/94/667287794.db2.gz FAJTXQBKUNNYSC-JTQLQIEISA-N -1 3 316.365 0.611 10 0 DCAEHM C[C@H](CNC(=O)c1nnc2ccccc2c1[O-])N1CCOCC1 ZINC000109946093 670981357 /nfs/dbraw/zinc/98/13/57/670981357.db2.gz OPGKGZLOAQZDNF-LLVKDONJSA-N -1 3 316.361 0.374 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1cccnc1Cl)c1cn(C)nn1 ZINC000720549227 685314499 /nfs/dbraw/zinc/31/44/99/685314499.db2.gz XRDXWMBEKRITLT-ZETCQYMHSA-N -1 3 301.759 0.903 10 0 DCAEHM Cc1n[nH]c(C)c1CC(=O)NCCNC(=O)c1ccccc1[O-] ZINC000187007314 1187432980 /nfs/dbraw/zinc/43/29/80/1187432980.db2.gz SKFXUKLILZLKOT-UHFFFAOYSA-N -1 3 316.361 0.821 10 0 DCAEHM CC(C)[N@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694210129 976682652 /nfs/dbraw/zinc/68/26/52/976682652.db2.gz SCPDNOGJLBIEPB-VIFPVBQESA-N -1 3 304.368 0.985 10 0 DCAEHM CC(C)[N@@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694210129 976682657 /nfs/dbraw/zinc/68/26/57/976682657.db2.gz SCPDNOGJLBIEPB-VIFPVBQESA-N -1 3 304.368 0.985 10 0 DCAEHM CN(CCc1ccc(Cl)cc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000179318305 199015093 /nfs/dbraw/zinc/01/50/93/199015093.db2.gz UYKATTSFVBCLIL-NSHDSACASA-N -1 3 309.753 0.939 10 0 DCAEHM CCN1CCN(CCNS(=O)(=O)c2ccc([O-])cc2)CC1 ZINC000425180880 240301982 /nfs/dbraw/zinc/30/19/82/240301982.db2.gz WXDXTZPAQKNWQA-UHFFFAOYSA-N -1 3 313.423 0.308 10 0 DCAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F ZINC000429871987 240379146 /nfs/dbraw/zinc/37/91/46/240379146.db2.gz WPWXWIPHOIHYFW-SSDOTTSWSA-N -1 3 321.708 0.665 10 0 DCAEHM C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000282562139 217089997 /nfs/dbraw/zinc/08/99/97/217089997.db2.gz OINUZXWDIXTKMG-CBAPKCEASA-N -1 3 303.771 0.680 10 0 DCAEHM O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1cncc(F)c1 ZINC000349980169 254307219 /nfs/dbraw/zinc/30/72/19/254307219.db2.gz YVNRXPUWJJNVLJ-QMMMGPOBSA-N -1 3 302.249 0.812 10 0 DCAEHM COc1cccc(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c1[O-] ZINC000285608835 131186295 /nfs/dbraw/zinc/18/62/95/131186295.db2.gz CVNGLCYILPOUEP-QWHCGFSZSA-N -1 3 306.362 0.946 10 0 DCAEHM COc1ccccc1C(=O)N[C@H](CO)c1n[n-]c(=S)n1C ZINC000009928028 395685736 /nfs/dbraw/zinc/68/57/36/395685736.db2.gz IXWZMUGYMJKNCY-SECBINFHSA-N -1 3 308.363 0.576 10 0 DCAEHM COC(=O)Cn1cc([N-]S(=O)(=O)N2CCC[C@H](C)C2)cn1 ZINC000038030633 395731089 /nfs/dbraw/zinc/73/10/89/395731089.db2.gz IHFBAHUDFCMGPR-JTQLQIEISA-N -1 3 316.383 0.445 10 0 DCAEHM CN(C)C[C@@H]1CN(CC(=O)[N-]OCc2ccccc2)CCO1 ZINC000119410542 395870635 /nfs/dbraw/zinc/87/06/35/395870635.db2.gz IPKQBRODHBHSJH-OAHLLOKOSA-N -1 3 307.394 0.497 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000154337490 396036461 /nfs/dbraw/zinc/03/64/61/396036461.db2.gz MBWDFQOIVGDLBQ-AAEUAGOBSA-N -1 3 316.361 0.227 10 0 DCAEHM Cc1ccc(C[C@@H](N)[C@@H](O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000169319107 396090291 /nfs/dbraw/zinc/09/02/91/396090291.db2.gz KECAWAXFNFZHBY-QLFBSQMISA-N -1 3 322.405 0.841 10 0 DCAEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CN(C)CCO2)c(F)cc1F ZINC000175791143 396142487 /nfs/dbraw/zinc/14/24/87/396142487.db2.gz HUNGHLHXAFWCBN-SNVBAGLBSA-N -1 3 320.361 0.882 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NC1(c2cccc(Cl)c2)CC1 ZINC000077164214 396213776 /nfs/dbraw/zinc/21/37/76/396213776.db2.gz UJKMAIHRJIZVSE-UHFFFAOYSA-N -1 3 307.737 0.997 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N[C@@H]1C[C@H]3OCCC[C@H]13)c2[O-] ZINC000189330295 396394171 /nfs/dbraw/zinc/39/41/71/396394171.db2.gz YMVNOKKARJDBKR-GGZOMVNGSA-N -1 3 302.334 0.971 10 0 DCAEHM CCN1CCCN(C(=O)c2cnc3c(cnn3C)c2[O-])CC1=O ZINC000188091724 396379276 /nfs/dbraw/zinc/37/92/76/396379276.db2.gz YQGOWQRKAYZAOI-UHFFFAOYSA-N -1 3 317.349 0.368 10 0 DCAEHM CC(=O)c1ncc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)s1 ZINC000581948648 396596977 /nfs/dbraw/zinc/59/69/77/396596977.db2.gz VFWQBKFWQHGILV-QMMMGPOBSA-N -1 3 320.378 0.864 10 0 DCAEHM CC1CCC(OCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CC1 ZINC000373656015 396605096 /nfs/dbraw/zinc/60/50/96/396605096.db2.gz KYSAMSLNKBWUAH-PPUFBPAQSA-N -1 3 323.393 0.782 10 0 DCAEHM CC(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000563272865 396719365 /nfs/dbraw/zinc/71/93/65/396719365.db2.gz HLNXCOFBAAJVLN-VIFPVBQESA-N -1 3 305.313 0.695 10 0 DCAEHM CC(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000563272865 396719367 /nfs/dbraw/zinc/71/93/67/396719367.db2.gz HLNXCOFBAAJVLN-VIFPVBQESA-N -1 3 305.313 0.695 10 0 DCAEHM CC(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000563272865 396719372 /nfs/dbraw/zinc/71/93/72/396719372.db2.gz HLNXCOFBAAJVLN-VIFPVBQESA-N -1 3 305.313 0.695 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000630571265 397048325 /nfs/dbraw/zinc/04/83/25/397048325.db2.gz LGBKOLMTAGZKPA-LSDHHAIUSA-N -1 3 319.405 0.769 10 0 DCAEHM COC[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000069097790 158044769 /nfs/dbraw/zinc/04/47/69/158044769.db2.gz VJIXYEADYDSHEQ-VHSXEESVSA-N -1 3 318.370 0.644 10 0 DCAEHM C[C@@H](CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)N1CCCCC1=O ZINC000328774173 159028550 /nfs/dbraw/zinc/02/85/50/159028550.db2.gz RZBMKDLPAYZUGN-QWRGUYRKSA-N -1 3 322.365 0.380 10 0 DCAEHM CCc1cnc(C[N-]S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000408303975 160081000 /nfs/dbraw/zinc/08/10/00/160081000.db2.gz VESCPDZDQMKBRV-NXEZZACHSA-N -1 3 303.384 0.681 10 0 DCAEHM Cn1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(=O)[n-]c1=O ZINC000408349175 160089381 /nfs/dbraw/zinc/08/93/81/160089381.db2.gz GZAPEPLDJYCFHF-BONVTDFDSA-N -1 3 307.350 0.253 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1nc2c(s1)CCCCC2 ZINC000042849283 415211561 /nfs/dbraw/zinc/21/15/61/415211561.db2.gz SUSBINISNYBOSW-QMMMGPOBSA-N -1 3 308.363 0.949 10 0 DCAEHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000276334264 415472477 /nfs/dbraw/zinc/47/24/77/415472477.db2.gz LLTGGXNRNOFSQQ-BQBZGAKWSA-N -1 3 307.272 0.774 10 0 DCAEHM CC(C)OCCn1cc(I)c(=O)[n-]c1=O ZINC000094206927 415549904 /nfs/dbraw/zinc/54/99/04/415549904.db2.gz YKTMPTDAWSSLEJ-UHFFFAOYSA-N -1 3 324.118 0.566 10 0 DCAEHM COc1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c([O-])c1 ZINC000115164897 415723866 /nfs/dbraw/zinc/72/38/66/415723866.db2.gz KALOEOBWXRPHPO-CYBMUJFWSA-N -1 3 306.362 0.994 10 0 DCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1ccc[nH]1 ZINC000173518501 416060597 /nfs/dbraw/zinc/06/05/97/416060597.db2.gz BJJJVIIOMVVWQA-UHFFFAOYSA-N -1 3 314.388 0.897 10 0 DCAEHM C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccc(F)c(F)c1 ZINC000174599848 416082091 /nfs/dbraw/zinc/08/20/91/416082091.db2.gz SWFDDNFCSKBCCM-RXMQYKEDSA-N -1 3 310.260 0.415 10 0 DCAEHM CN(CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccccc2)C[C@H]1O ZINC000328606232 416123359 /nfs/dbraw/zinc/12/33/59/416123359.db2.gz QUHAEIZQJZJCMJ-BYNSBNAKSA-N -1 3 318.373 0.378 10 0 DCAEHM O=C(Cc1ccc([O-])cc1Cl)NCC(=O)N1CCOCC1 ZINC000181049236 416202982 /nfs/dbraw/zinc/20/29/82/416202982.db2.gz RNJKCJQNGSMOTA-UHFFFAOYSA-N -1 3 312.753 0.563 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1nc[nH]n1 ZINC000183207233 416238278 /nfs/dbraw/zinc/23/82/78/416238278.db2.gz MWSVHOLGZJYDEI-LURJTMIESA-N -1 3 304.763 0.540 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1nnc[nH]1 ZINC000183207233 416238281 /nfs/dbraw/zinc/23/82/81/416238281.db2.gz MWSVHOLGZJYDEI-LURJTMIESA-N -1 3 304.763 0.540 10 0 DCAEHM CCc1oc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000195020081 416325196 /nfs/dbraw/zinc/32/51/96/416325196.db2.gz JPZYSERPDSWRRJ-OAHLLOKOSA-N -1 3 305.334 0.965 10 0 DCAEHM C/C=C/C[C@H]([N-]S(=O)(=O)N(C)CCOC)C(=O)OCC ZINC000361957500 416534814 /nfs/dbraw/zinc/53/48/14/416534814.db2.gz KXOBPBBGTKAUMW-ZRQQLDRUSA-N -1 3 308.400 0.297 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c(F)c1 ZINC000404972918 417119640 /nfs/dbraw/zinc/11/96/40/417119640.db2.gz SJHRERLAVPUMQT-CYBMUJFWSA-N -1 3 303.355 0.954 10 0 DCAEHM C[S@](=O)c1ccc(CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000435035812 287358264 /nfs/dbraw/zinc/35/82/64/287358264.db2.gz QSYMELBBFRKRST-QRQCRPRQSA-N -1 3 321.402 0.598 10 0 DCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@H](O)C(F)F)c2=O ZINC000438508650 287371953 /nfs/dbraw/zinc/37/19/53/287371953.db2.gz MTMGSOOYAXUIEJ-NSHDSACASA-N -1 3 312.272 0.893 10 0 DCAEHM CC(C)c1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)c([O-])c1 ZINC000458138705 417724676 /nfs/dbraw/zinc/72/46/76/417724676.db2.gz MJPSBYIQQNPBHU-GFCCVEGCSA-N -1 3 304.350 0.898 10 0 DCAEHM CCS(=O)(=O)NCCNC(=O)c1cccc(OC)c1[O-] ZINC000390408277 262160200 /nfs/dbraw/zinc/16/02/00/262160200.db2.gz KGERWQDGVUMLPW-UHFFFAOYSA-N -1 3 302.352 0.070 10 0 DCAEHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@H](N3CCOCC3)C2)on1 ZINC000173933069 301359343 /nfs/dbraw/zinc/35/93/43/301359343.db2.gz ZFICJHULVKQHDH-STQMWFEESA-N -1 3 308.382 0.717 10 0 DCAEHM CC[C@@H](CO)N1CCN(C(=O)c2cc(OC)ccc2[O-])CC1 ZINC000129247098 522556859 /nfs/dbraw/zinc/55/68/59/522556859.db2.gz JFRSVOCKLXZGEB-LBPRGKRZSA-N -1 3 308.378 0.930 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1coc(-c2cccs2)n1 ZINC000111547314 526722428 /nfs/dbraw/zinc/72/24/28/526722428.db2.gz MWMSAPCOCHFBHK-UHFFFAOYSA-N -1 3 320.330 0.571 10 0 DCAEHM C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195168343 545934411 /nfs/dbraw/zinc/93/44/11/545934411.db2.gz WWWBIZIIKYYPQW-MRVPVSSYSA-N -1 3 323.440 0.557 10 0 DCAEHM C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195168343 545934415 /nfs/dbraw/zinc/93/44/15/545934415.db2.gz WWWBIZIIKYYPQW-MRVPVSSYSA-N -1 3 323.440 0.557 10 0 DCAEHM Cn1nccc1CCC(=O)NCCNC(=O)c1ccccc1[O-] ZINC000184964588 1187219769 /nfs/dbraw/zinc/21/97/69/1187219769.db2.gz PRMYAZYTGBXLIA-UHFFFAOYSA-N -1 3 316.361 0.605 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCCCC(=O)[O-] ZINC000702403302 950225854 /nfs/dbraw/zinc/22/58/54/950225854.db2.gz VCCOPUUJRQHNBB-CQSZACIVSA-N -1 3 307.394 0.817 10 0 DCAEHM CN(C)C1(CNS(=O)(=O)c2cc(C(=O)[O-])co2)CCC1 ZINC000694175219 976676527 /nfs/dbraw/zinc/67/65/27/976676527.db2.gz SHHLFMOUAMGKKC-UHFFFAOYSA-N -1 3 302.352 0.740 10 0 DCAEHM O=C(COc1cccc(F)c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000322851446 231213993 /nfs/dbraw/zinc/21/39/93/231213993.db2.gz POGMOXQTSKWNMI-OAHLLOKOSA-N -1 3 321.308 0.405 10 0 DCAEHM C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@H]1N1CCOCC1 ZINC000179524239 199050991 /nfs/dbraw/zinc/05/09/91/199050991.db2.gz ZCRZKFUXOLEWLN-BXUZGUMPSA-N -1 3 306.362 0.891 10 0 DCAEHM C[C@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000282657609 217156917 /nfs/dbraw/zinc/15/69/17/217156917.db2.gz VDHSEVFOTHEYCJ-HQJQHLMTSA-N -1 3 304.318 0.910 10 0 DCAEHM CN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H](c2ccccc2)C1 ZINC000106557014 194229605 /nfs/dbraw/zinc/22/96/05/194229605.db2.gz JVIKOVARIHRIBV-QWHCGFSZSA-N -1 3 316.361 0.100 10 0 DCAEHM NC(=O)[C@]1(O)CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000285532312 131178093 /nfs/dbraw/zinc/17/80/93/131178093.db2.gz NSJHOXYEWBBBEI-KRWDZBQOSA-N -1 3 318.373 0.723 10 0 DCAEHM O=C1[N-]C(=O)[C@@]2(CCN(S(=O)(=O)CC3CCCCC3)C2)N1 ZINC000084796545 395699573 /nfs/dbraw/zinc/69/95/73/395699573.db2.gz JCVHPKJYUYETAP-ZDUSSCGKSA-N -1 3 315.395 0.180 10 0 DCAEHM O=C1N[C@@H](c2ccc([O-])c(Br)c2)N2CCOC[C@H]12 ZINC000093884250 395739591 /nfs/dbraw/zinc/73/95/91/395739591.db2.gz XLQKWDQVVWJEHX-MWLCHTKSSA-N -1 3 313.151 0.984 10 0 DCAEHM C[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)N(C)c1ccccc1 ZINC000046951771 395783721 /nfs/dbraw/zinc/78/37/21/395783721.db2.gz RGYFBWKUELNSLR-PWSUYJOCSA-N -1 3 304.350 0.226 10 0 DCAEHM O=S(=O)([N-][C@H]1CCc2ncnn2C1)c1ccc(F)cc1F ZINC000113299152 395829044 /nfs/dbraw/zinc/82/90/44/395829044.db2.gz QQHHCRDETNTJDJ-VIFPVBQESA-N -1 3 314.317 0.850 10 0 DCAEHM Cc1c(CNC(=O)CN2CC(=O)[N-]C2=O)oc2ccccc12 ZINC000115714665 395841006 /nfs/dbraw/zinc/84/10/06/395841006.db2.gz LZPZYWVDERSBNI-UHFFFAOYSA-N -1 3 301.302 0.909 10 0 DCAEHM CCCCNC(=O)CN1CCN(c2nc(C)c(C)c(=O)[n-]2)CC1 ZINC000065307524 395992406 /nfs/dbraw/zinc/99/24/06/395992406.db2.gz TXJCFTABFYUUPU-UHFFFAOYSA-N -1 3 321.425 0.425 10 0 DCAEHM CC(C)[C@H](C)CC(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000262950317 396194087 /nfs/dbraw/zinc/19/40/87/396194087.db2.gz OPQRVLJKUOHGDH-CHWSQXEVSA-N -1 3 300.399 0.912 10 0 DCAEHM COc1ccc([O-])c(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c1 ZINC000285907630 396361263 /nfs/dbraw/zinc/36/12/63/396361263.db2.gz TWLUHKCIMHISJQ-HIFRSBDPSA-N -1 3 306.362 0.946 10 0 DCAEHM C[C@@H](OCc1ccccc1)C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000303092371 396724043 /nfs/dbraw/zinc/72/40/43/396724043.db2.gz XPYOUQWJEDFCDC-BDJLRTHQSA-N -1 3 317.345 0.402 10 0 DCAEHM CO[C@H]1CN(CC2(CS(C)(=O)=O)CC2)[C@](C)(C(=O)[O-])C1 ZINC000634695646 396897406 /nfs/dbraw/zinc/89/74/06/396897406.db2.gz XNZMPVOQTNQMJR-PWSUYJOCSA-N -1 3 305.396 0.375 10 0 DCAEHM CCN1C(=O)[C@H]2CN(C(=O)c3cccc([O-])c3)CCN2C1=O ZINC000378562409 397257260 /nfs/dbraw/zinc/25/72/60/397257260.db2.gz KGRZVHGORZIRKI-GFCCVEGCSA-N -1 3 303.318 0.501 10 0 DCAEHM CC(=O)N1CCC(C[N-]S(=O)(=O)c2cscn2)CC1 ZINC000574396285 397263409 /nfs/dbraw/zinc/26/34/09/397263409.db2.gz PFHXKHIAYGIONK-UHFFFAOYSA-N -1 3 303.409 0.680 10 0 DCAEHM C[C@@H]1CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CC(=O)N1C ZINC000407969923 397341674 /nfs/dbraw/zinc/34/16/74/397341674.db2.gz ACDHQPCZVYYHNV-ZCFIWIBFSA-N -1 3 320.275 0.196 10 0 DCAEHM C[C@@H]1CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CC(=O)N1C ZINC000407969923 397341676 /nfs/dbraw/zinc/34/16/76/397341676.db2.gz ACDHQPCZVYYHNV-ZCFIWIBFSA-N -1 3 320.275 0.196 10 0 DCAEHM C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC(=O)N1C ZINC000407969923 397341678 /nfs/dbraw/zinc/34/16/78/397341678.db2.gz ACDHQPCZVYYHNV-ZCFIWIBFSA-N -1 3 320.275 0.196 10 0 DCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCCC2(CCOCC2)C1 ZINC000371041758 397537260 /nfs/dbraw/zinc/53/72/60/397537260.db2.gz OQIPXTWXRXVHSV-LLVKDONJSA-N -1 3 309.366 0.394 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cccc(Br)c1 ZINC000070079157 158046530 /nfs/dbraw/zinc/04/65/30/158046530.db2.gz GRVNELGNSCQSMV-UHFFFAOYSA-N -1 3 312.123 0.939 10 0 DCAEHM COC(=O)[C@H]1CN(CCC[N-]C(=O)C(F)(F)F)C[C@@H](C)O1 ZINC000091591990 158109577 /nfs/dbraw/zinc/10/95/77/158109577.db2.gz VXKONPWMARIYCN-RKDXNWHRSA-N -1 3 312.288 0.317 10 0 DCAEHM CN1CC[C@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c2ccccc21 ZINC000137719218 158346516 /nfs/dbraw/zinc/34/65/16/158346516.db2.gz AXBTWZRPPYJAMQ-PWSUYJOCSA-N -1 3 316.361 0.324 10 0 DCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCN(C2CC2)CC1 ZINC000171474201 158383142 /nfs/dbraw/zinc/38/31/42/158383142.db2.gz JUYJITLYYOBNHV-UHFFFAOYSA-N -1 3 313.357 0.881 10 0 DCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1sc(C)nc1C)C(C)C ZINC000178925596 158466909 /nfs/dbraw/zinc/46/69/09/158466909.db2.gz BKPRKCVCCQVSDE-VIFPVBQESA-N -1 3 305.425 0.809 10 0 DCAEHM CS(=O)(=O)[N-]c1ccccc1NS(=O)(=O)N1CCC1 ZINC000408059675 160025890 /nfs/dbraw/zinc/02/58/90/160025890.db2.gz BTHVQAZIQNBUAK-UHFFFAOYSA-N -1 3 305.381 0.421 10 0 DCAEHM CN(C)c1nc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc(=O)[n-]1 ZINC000408242431 160067927 /nfs/dbraw/zinc/06/79/27/160067927.db2.gz UMEPXBATJOKGPX-KOLCDFICSA-N -1 3 319.365 0.131 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N[C@@H]1CCc3ncnn3C1)c2[O-] ZINC000119247838 415739374 /nfs/dbraw/zinc/73/93/74/415739374.db2.gz YHKAVCGPYNEASQ-MRVPVSSYSA-N -1 3 313.321 0.010 10 0 DCAEHM C[C@H](CS(C)(=O)=O)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119606674 415745348 /nfs/dbraw/zinc/74/53/48/415745348.db2.gz UDQFSSJTKHAXAF-MRVPVSSYSA-N -1 3 311.367 0.429 10 0 DCAEHM C[C@H](CS(C)(=O)=O)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119606674 415745354 /nfs/dbraw/zinc/74/53/54/415745354.db2.gz UDQFSSJTKHAXAF-MRVPVSSYSA-N -1 3 311.367 0.429 10 0 DCAEHM CCN(CCNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(C)c1 ZINC000153590004 415984621 /nfs/dbraw/zinc/98/46/21/415984621.db2.gz KGWSEWPBRADXEY-ZDUSSCGKSA-N -1 3 318.377 0.536 10 0 DCAEHM CCc1nc(NC(=O)C2CC3(C2)NC(=O)[N-]C3=O)sc1C ZINC000155348721 415996259 /nfs/dbraw/zinc/99/62/59/415996259.db2.gz MHNOSQXYUZUDBR-UHFFFAOYSA-N -1 3 308.363 0.941 10 0 DCAEHM Cc1ccc([O-])c(C(=O)NC[C@@](C)(O)CN2CCOCC2)c1 ZINC000176901588 416135766 /nfs/dbraw/zinc/13/57/66/416135766.db2.gz RDHUOEKNCURBTC-MRXNPFEDSA-N -1 3 308.378 0.514 10 0 DCAEHM O=C(N[C@H]1CCCC[C@H]1CO)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000179215444 416184113 /nfs/dbraw/zinc/18/41/13/416184113.db2.gz YFGFJQDMWOJFRZ-GWCFXTLKSA-N -1 3 302.330 0.851 10 0 DCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)C(C)C ZINC000179265796 416184824 /nfs/dbraw/zinc/18/48/24/416184824.db2.gz CXWGOYZTMXLQSE-NSHDSACASA-N -1 3 302.400 0.513 10 0 DCAEHM COc1nnc(NC(=O)CCCNC(=O)c2ccccc2)[n-]1 ZINC000179368394 416186170 /nfs/dbraw/zinc/18/61/70/416186170.db2.gz CVNBPGJYJSXCHI-UHFFFAOYSA-N -1 3 303.322 0.962 10 0 DCAEHM COc1nc(NC(=O)CCCNC(=O)c2ccccc2)n[n-]1 ZINC000179368394 416186174 /nfs/dbraw/zinc/18/61/74/416186174.db2.gz CVNBPGJYJSXCHI-UHFFFAOYSA-N -1 3 303.322 0.962 10 0 DCAEHM COc1n[n-]c(NC(=O)CCCNC(=O)c2ccccc2)n1 ZINC000179368394 416186178 /nfs/dbraw/zinc/18/61/78/416186178.db2.gz CVNBPGJYJSXCHI-UHFFFAOYSA-N -1 3 303.322 0.962 10 0 DCAEHM COc1nnc(NC(=O)Cn2nnc(-c3ccccc3)n2)[n-]1 ZINC000179377190 416187620 /nfs/dbraw/zinc/18/76/20/416187620.db2.gz RQBBYGLRAFHPBV-UHFFFAOYSA-N -1 3 300.282 0.106 10 0 DCAEHM COc1nc(NC(=O)Cn2nnc(-c3ccccc3)n2)n[n-]1 ZINC000179377190 416187623 /nfs/dbraw/zinc/18/76/23/416187623.db2.gz RQBBYGLRAFHPBV-UHFFFAOYSA-N -1 3 300.282 0.106 10 0 DCAEHM COc1n[n-]c(NC(=O)Cn2nnc(-c3ccccc3)n2)n1 ZINC000179377190 416187627 /nfs/dbraw/zinc/18/76/27/416187627.db2.gz RQBBYGLRAFHPBV-UHFFFAOYSA-N -1 3 300.282 0.106 10 0 DCAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC(n2ccnn2)C1 ZINC000358175941 416205627 /nfs/dbraw/zinc/20/56/27/416205627.db2.gz VOYUULSTIXNTBW-UHFFFAOYSA-N -1 3 312.289 0.251 10 0 DCAEHM CN(C)C[C@@H](NC(=O)C(=O)[N-]c1cnns1)c1ccccc1 ZINC000191973111 416292920 /nfs/dbraw/zinc/29/29/20/416292920.db2.gz XZYFPDIDDUBGLH-LLVKDONJSA-N -1 3 319.390 0.896 10 0 DCAEHM CC(=O)[C@@](C)(O)CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000331239699 416293621 /nfs/dbraw/zinc/29/36/21/416293621.db2.gz OADHOSQRVCCPFW-INIZCTEOSA-N -1 3 306.362 0.490 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000436716759 416567737 /nfs/dbraw/zinc/56/77/37/416567737.db2.gz QWWRIGPSFMMNGG-GHMZBOCLSA-N -1 3 322.361 0.887 10 0 DCAEHM CS(=O)(=O)NCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436861374 416571777 /nfs/dbraw/zinc/57/17/77/416571777.db2.gz TZQOVRJWUQRVNA-UHFFFAOYSA-N -1 3 312.391 0.794 10 0 DCAEHM CCO[C@@H](CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)C(C)C ZINC000447756085 417023332 /nfs/dbraw/zinc/02/33/32/417023332.db2.gz VJLZCOCKGKPWAR-NHYWBVRUSA-N -1 3 311.382 0.638 10 0 DCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCN1C(=O)CCC1=O ZINC000524835672 417121072 /nfs/dbraw/zinc/12/10/72/417121072.db2.gz ATBKAUSBEFRVFA-UHFFFAOYSA-N -1 3 322.321 0.372 10 0 DCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCN1C(=O)CCC1=O ZINC000524835672 417121076 /nfs/dbraw/zinc/12/10/76/417121076.db2.gz ATBKAUSBEFRVFA-UHFFFAOYSA-N -1 3 322.321 0.372 10 0 DCAEHM COC(=O)C1([N-]S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CCCC1 ZINC000408238085 417148890 /nfs/dbraw/zinc/14/88/90/417148890.db2.gz SVSTYIBFJCEBCK-MNOVXSKESA-N -1 3 320.411 0.416 10 0 DCAEHM C[C@@H](OCc1ccccc1)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000662750786 417887426 /nfs/dbraw/zinc/88/74/26/417887426.db2.gz GXMLAPLWPCGTCQ-LLVKDONJSA-N -1 3 316.361 0.862 10 0 DCAEHM C[C@H]1[C@@H](CO)CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000362474185 262038999 /nfs/dbraw/zinc/03/89/99/262038999.db2.gz RDQUMNITPGQPCT-DTWKUNHWSA-N -1 3 303.318 0.805 10 0 DCAEHM O=C(NCc1nnc(C(F)(F)F)[n-]1)NC[C@@H](CO)C1CC1 ZINC000359146245 271098193 /nfs/dbraw/zinc/09/81/93/271098193.db2.gz QYVBOHKFXZUSHZ-ZETCQYMHSA-N -1 3 307.276 0.641 10 0 DCAEHM O=C(NCc1n[n-]c(C(F)(F)F)n1)NC[C@@H](CO)C1CC1 ZINC000359146245 271098198 /nfs/dbraw/zinc/09/81/98/271098198.db2.gz QYVBOHKFXZUSHZ-ZETCQYMHSA-N -1 3 307.276 0.641 10 0 DCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC[C@@H](CO)C1CC1 ZINC000359146245 271098202 /nfs/dbraw/zinc/09/82/02/271098202.db2.gz QYVBOHKFXZUSHZ-ZETCQYMHSA-N -1 3 307.276 0.641 10 0 DCAEHM O=C(/C=C\c1cncc([O-])c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000492474542 272132052 /nfs/dbraw/zinc/13/20/52/272132052.db2.gz OPXUUKQDPVPDPW-MPNWYJEXSA-N -1 3 314.345 0.925 10 0 DCAEHM CC1(C)C[C@@H]1NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000334137397 281329286 /nfs/dbraw/zinc/32/92/86/281329286.db2.gz ZKXGJGZNQFIGEZ-FTGAXOIBSA-N -1 3 308.382 0.947 10 0 DCAEHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@@H](N3CCOCC3)C2)on1 ZINC000247254704 301359220 /nfs/dbraw/zinc/35/92/20/301359220.db2.gz ZFICJHULVKQHDH-QWHCGFSZSA-N -1 3 308.382 0.717 10 0 DCAEHM NS(=O)(=O)c1cccc(-c2ccnc(F)c2)c1-c1nnn[n-]1 ZINC000584596425 337374256 /nfs/dbraw/zinc/37/42/56/337374256.db2.gz CRNBYVVOZZXRQD-UHFFFAOYSA-N -1 3 320.309 0.715 10 0 DCAEHM CC[C@@H](CO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000188247155 522567337 /nfs/dbraw/zinc/56/73/37/522567337.db2.gz OGRCBYONNHRPJL-UWVGGRQHSA-N -1 3 318.370 0.380 10 0 DCAEHM Cc1csc(C2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)n1 ZINC000111596174 526327664 /nfs/dbraw/zinc/32/76/64/526327664.db2.gz URPXTROBHWQEHE-UHFFFAOYSA-N -1 3 322.390 0.709 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cc(-c2ccccc2)on1 ZINC000111593733 526722832 /nfs/dbraw/zinc/72/28/32/526722832.db2.gz HJYXKXCACGUFHM-UHFFFAOYSA-N -1 3 314.301 0.510 10 0 DCAEHM N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000004533517 571686268 /nfs/dbraw/zinc/68/62/68/571686268.db2.gz XMAUFHMAAVTODF-CHWSQXEVSA-N -1 3 302.334 0.092 10 0 endogenous,in-man DCAEHM N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000004533517 571686272 /nfs/dbraw/zinc/68/62/72/571686272.db2.gz XMAUFHMAAVTODF-CHWSQXEVSA-N -1 3 302.334 0.092 10 0 endogenous,in-man DCAEHM CN(C)c1nc([C@H]2CCN(C(=O)Cn3cccn3)C2)cc(=O)[n-]1 ZINC000864842535 667289131 /nfs/dbraw/zinc/28/91/31/667289131.db2.gz YDIYMDSTPWAACQ-NSHDSACASA-N -1 3 316.365 0.461 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)(C)C)nn1 ZINC000712702700 670150824 /nfs/dbraw/zinc/15/08/24/670150824.db2.gz QSMIJIIPOBFHEJ-VIFPVBQESA-N -1 3 301.368 0.794 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCCC12OCCO2)c1cccnc1F ZINC000716026621 670227447 /nfs/dbraw/zinc/22/74/47/670227447.db2.gz MBPWFXJKYMTUQC-SNVBAGLBSA-N -1 3 302.327 0.795 10 0 DCAEHM CCNC(=O)NCC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000380723020 1158331490 /nfs/dbraw/zinc/33/14/90/1158331490.db2.gz JNAMQSFEFWPFBC-UHFFFAOYSA-N -1 3 324.765 0.472 10 0 DCAEHM O=C1CCCN1CCC[N-]S(=O)(=O)c1cccnc1F ZINC000401922773 748480946 /nfs/dbraw/zinc/48/09/46/748480946.db2.gz JVHZXEXNOZMEGO-UHFFFAOYSA-N -1 3 301.343 0.512 10 0 DCAEHM O=C1[N-]C(=O)[C@H](CCS(=O)(=O)Nc2cccc(Cl)c2)N1 ZINC000004429539 181109038 /nfs/dbraw/zinc/10/90/38/181109038.db2.gz YDECWPVBRRGPND-VIFPVBQESA-N -1 3 317.754 0.680 10 0 DCAEHM COc1nnc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)[n-]1 ZINC000179376762 199024821 /nfs/dbraw/zinc/02/48/21/199024821.db2.gz BUEZQHASZPVZOV-UHFFFAOYSA-N -1 3 301.306 0.975 10 0 DCAEHM COc1nc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)n[n-]1 ZINC000179376762 199024823 /nfs/dbraw/zinc/02/48/23/199024823.db2.gz BUEZQHASZPVZOV-UHFFFAOYSA-N -1 3 301.306 0.975 10 0 DCAEHM COc1n[n-]c(NC(=O)c2ccc3c(c2)CCN3C(C)=O)n1 ZINC000179376762 199024825 /nfs/dbraw/zinc/02/48/25/199024825.db2.gz BUEZQHASZPVZOV-UHFFFAOYSA-N -1 3 301.306 0.975 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000162152517 291243209 /nfs/dbraw/zinc/24/32/09/291243209.db2.gz UROZCLNEAVDDSB-UHFFFAOYSA-N -1 3 323.299 0.664 10 0 DCAEHM O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000178298586 284149869 /nfs/dbraw/zinc/14/98/69/284149869.db2.gz XNLIYFNOOBZAMO-HUUCEWRRSA-N -1 3 322.320 0.958 10 0 DCAEHM CN1CCN(CCCNc2nc(C(F)(F)F)cc(=O)[n-]2)CC1 ZINC000057342485 184034318 /nfs/dbraw/zinc/03/43/18/184034318.db2.gz AZTVXSJHCAFPOM-UHFFFAOYSA-N -1 3 319.331 0.838 10 0 DCAEHM O=S(=O)([N-]C[C@@]1(CCO)CCOC1)c1ccccc1F ZINC000120158515 132139847 /nfs/dbraw/zinc/13/98/47/132139847.db2.gz GUYOZGJWAFUHRT-CYBMUJFWSA-N -1 3 303.355 0.893 10 0 DCAEHM COCCCn1cc(I)c(=O)[n-]c1=O ZINC000086788555 395705156 /nfs/dbraw/zinc/70/51/56/395705156.db2.gz WVOIZHFJNXPASI-UHFFFAOYSA-N -1 3 310.091 0.178 10 0 DCAEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCNC2=O)c(F)cc1F ZINC000084674139 395698327 /nfs/dbraw/zinc/69/83/27/395698327.db2.gz WGJFLYXFTXJBLP-SNVBAGLBSA-N -1 3 304.318 0.830 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN3CCC[C@@H]3C2)o1 ZINC000195331192 395825624 /nfs/dbraw/zinc/82/56/24/395825624.db2.gz IPAYJWCGZFLZGZ-SNVBAGLBSA-N -1 3 313.379 0.108 10 0 DCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000245445341 395930140 /nfs/dbraw/zinc/93/01/40/395930140.db2.gz YUROLMRTWJQVEV-SRVKXCTJSA-N -1 3 319.365 0.471 10 0 DCAEHM CC(C)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)[O-] ZINC000169398069 396090432 /nfs/dbraw/zinc/09/04/32/396090432.db2.gz LSLXWOCIIFUZCQ-QJPTWQEYSA-N -1 3 315.414 0.336 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000176136899 396150569 /nfs/dbraw/zinc/15/05/69/396150569.db2.gz CWIKTFIPYVGSEY-SNVBAGLBSA-N -1 3 307.272 0.776 10 0 DCAEHM O=S(=O)([N-]CCCn1ccnn1)c1cc(F)cc(F)c1 ZINC000183163070 396264014 /nfs/dbraw/zinc/26/40/14/396264014.db2.gz BAOZUILLGHIOMH-UHFFFAOYSA-N -1 3 302.306 0.925 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000179826094 396230071 /nfs/dbraw/zinc/23/00/71/396230071.db2.gz SSNFUWWYUXGRGT-UHFFFAOYSA-N -1 3 323.259 0.991 10 0 DCAEHM C[C@H]1COCCN1C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000269076662 396384194 /nfs/dbraw/zinc/38/41/94/396384194.db2.gz HIHVFRGVKFQQJO-MGPLVRAMSA-N -1 3 317.345 0.602 10 0 DCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCNC1=O ZINC000594790452 396516066 /nfs/dbraw/zinc/51/60/66/396516066.db2.gz JKKDHJSTARYPJE-ZETCQYMHSA-N -1 3 318.376 0.010 10 0 DCAEHM COc1cc(C(=O)N2CCN3CCOC[C@@H]3C2)cc(OC)c1[O-] ZINC000373398993 396588756 /nfs/dbraw/zinc/58/87/56/396588756.db2.gz NKCOARLNNYHRHM-LBPRGKRZSA-N -1 3 322.361 0.566 10 0 DCAEHM Cc1ccc([O-])c(C(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000586762974 396663884 /nfs/dbraw/zinc/66/38/84/396663884.db2.gz CSTOAOGURHQSOI-UHFFFAOYSA-N -1 3 312.391 0.856 10 0 DCAEHM CC(=O)c1ccc(C(=O)NC[C@@H]2CN3CCN2CCC3)cc1[O-] ZINC000614504840 397453884 /nfs/dbraw/zinc/45/38/84/397453884.db2.gz GVYALYOJIMKELP-CQSZACIVSA-N -1 3 317.389 0.715 10 0 DCAEHM O=C(c1cnc(C2CC2)s1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000578959551 397505112 /nfs/dbraw/zinc/50/51/12/397505112.db2.gz HYAFTCOOYMWBCL-CQSZACIVSA-N -1 3 320.374 0.835 10 0 DCAEHM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc([O-])cc1 ZINC000049502700 158010786 /nfs/dbraw/zinc/01/07/86/158010786.db2.gz OFYMYQCNQKRCOC-NSHDSACASA-N -1 3 300.380 0.391 10 0 DCAEHM NCC(=O)NCC(=O)Nc1cc(Br)ccc1[O-] ZINC000094573617 158122661 /nfs/dbraw/zinc/12/26/61/158122661.db2.gz MVJHVVJEMBXEQM-UHFFFAOYSA-N -1 3 302.128 0.168 10 0 DCAEHM COc1cccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c1[O-] ZINC000127225122 158271092 /nfs/dbraw/zinc/27/10/92/158271092.db2.gz VYCTUEJDQTXDOL-LBPRGKRZSA-N -1 3 306.362 0.994 10 0 DCAEHM C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)[C@H](C)CO ZINC000131222164 158300405 /nfs/dbraw/zinc/30/04/05/158300405.db2.gz VFKPQOXINUAUOF-NXEZZACHSA-N -1 3 320.436 0.550 10 0 DCAEHM O=C(c1ccc2n[n-]nc2c1)N1CCN(c2cccnn2)CC1 ZINC000170631890 158374873 /nfs/dbraw/zinc/37/48/73/158374873.db2.gz HHHAYXCLDKOSBI-UHFFFAOYSA-N -1 3 309.333 0.710 10 0 DCAEHM C[C@@H](CNC(=O)CN1CC(=O)[N-]C1=O)c1ccc(F)cc1F ZINC000174335278 158416119 /nfs/dbraw/zinc/41/61/19/158416119.db2.gz DDHLKFHLVHYZGN-QMMMGPOBSA-N -1 3 311.288 0.736 10 0 DCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@H]2CN(C3CC3)CCO2)on1 ZINC000330132041 159144163 /nfs/dbraw/zinc/14/41/63/159144163.db2.gz LGPVHIPJNWVPPF-CYBMUJFWSA-N -1 3 315.395 0.266 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)[C@@H](C)CO1 ZINC000408002766 160008213 /nfs/dbraw/zinc/00/82/13/160008213.db2.gz HJTPWIIDDMONQS-YIZRAAEISA-N -1 3 320.333 0.243 10 0 DCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000356939980 416008639 /nfs/dbraw/zinc/00/86/39/416008639.db2.gz SQMGMJFAGPGVRY-HIFRSBDPSA-N -1 3 319.361 0.506 10 0 DCAEHM C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182549263 416225985 /nfs/dbraw/zinc/22/59/85/416225985.db2.gz CICFPBCWWREVFT-WCQYABFASA-N -1 3 306.362 0.836 10 0 DCAEHM NC(=O)CN1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000178158832 416157961 /nfs/dbraw/zinc/15/79/61/416157961.db2.gz ZYINPNVYUKOBEX-UHFFFAOYSA-N -1 3 311.769 0.218 10 0 DCAEHM CCO[C@@H]1C[C@]([N-]S(=O)(=O)C2CC2)(C(=O)OC)C1(C)C ZINC000444282593 416827651 /nfs/dbraw/zinc/82/76/51/416827651.db2.gz XTKKUXZLTZGVFQ-MFKMUULPSA-N -1 3 305.396 0.815 10 0 DCAEHM CC(=O)c1ccc(C(=O)N[C@@H](CO)c2ccnn2C)cc1[O-] ZINC000616229069 416993704 /nfs/dbraw/zinc/99/37/04/416993704.db2.gz DKFNRSFFKDWGOJ-LBPRGKRZSA-N -1 3 303.318 0.792 10 0 DCAEHM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)n1 ZINC000451024549 417294921 /nfs/dbraw/zinc/29/49/21/417294921.db2.gz IDOHTPVVPMYNKH-UHFFFAOYSA-N -1 3 310.335 0.955 10 0 DCAEHM CCn1cc(O[C@@H]2CN(Cc3nc(C)ccc3[O-])C[C@H]2O)cn1 ZINC000628375483 417610809 /nfs/dbraw/zinc/61/08/09/417610809.db2.gz GYJXNUKRUPJSAE-HZPDHXFCSA-N -1 3 318.377 0.936 10 0 DCAEHM CO[C@@H](C)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000461267330 272025803 /nfs/dbraw/zinc/02/58/03/272025803.db2.gz BVDBJTGJFQLOAN-BBBLOLIVSA-N -1 3 320.436 0.955 10 0 DCAEHM C[C@H]1CCCN1S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1 ZINC000547434377 288045865 /nfs/dbraw/zinc/04/58/65/288045865.db2.gz XLOQSPAQWKZYLD-VIFPVBQESA-N -1 3 319.408 0.626 10 0 DCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)CN)c(F)cc1F ZINC000161527060 518770708 /nfs/dbraw/zinc/77/07/08/518770708.db2.gz NIUANKDWRFSUQU-UHFFFAOYSA-N -1 3 321.349 0.939 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCCc1ccc(Cl)cc1 ZINC000155283485 527140259 /nfs/dbraw/zinc/14/02/59/527140259.db2.gz IUJDULCGYJZTRE-NSHDSACASA-N -1 3 309.753 0.987 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1[O-] ZINC000331334753 527244825 /nfs/dbraw/zinc/24/48/25/527244825.db2.gz INPJREPRQRYYOQ-LLVKDONJSA-N -1 3 306.362 0.733 10 0 DCAEHM Cn1cc(S(=O)(=O)[N-]Cc2cn(C)nc2C(F)(F)F)cn1 ZINC000124854301 527288068 /nfs/dbraw/zinc/28/80/68/527288068.db2.gz JGVXOSVTNUOTRM-UHFFFAOYSA-N -1 3 323.300 0.651 10 0 DCAEHM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1O)c1cnn2c1OCCC2 ZINC000333136238 546072955 /nfs/dbraw/zinc/07/29/55/546072955.db2.gz IOJQPJSCVPZKAZ-QWRGUYRKSA-N -1 3 315.395 0.495 10 0 DCAEHM COc1nnc(NC(=O)c2cnn(-c3ccc(F)cc3)n2)[n-]1 ZINC000179365211 658466286 /nfs/dbraw/zinc/46/62/86/658466286.db2.gz PUTATPZUZVQDMO-UHFFFAOYSA-N -1 3 303.257 0.785 10 0 DCAEHM COc1nc(NC(=O)c2cnn(-c3ccc(F)cc3)n2)n[n-]1 ZINC000179365211 658466292 /nfs/dbraw/zinc/46/62/92/658466292.db2.gz PUTATPZUZVQDMO-UHFFFAOYSA-N -1 3 303.257 0.785 10 0 DCAEHM COc1n[n-]c(NC(=O)c2cnn(-c3ccc(F)cc3)n2)n1 ZINC000179365211 658466297 /nfs/dbraw/zinc/46/62/97/658466297.db2.gz PUTATPZUZVQDMO-UHFFFAOYSA-N -1 3 303.257 0.785 10 0 DCAEHM O=C(c1nnc2ccccc2c1[O-])N1CCO[C@@]2(CCOC2)C1 ZINC000186090996 666676418 /nfs/dbraw/zinc/67/64/18/666676418.db2.gz OCZGOYJDQOKSDD-INIZCTEOSA-N -1 3 315.329 0.555 10 0 DCAEHM CC[C@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)C(=O)[O-] ZINC000702400915 666954824 /nfs/dbraw/zinc/95/48/24/666954824.db2.gz JVJHLAOLMNUJLS-ZIAGYGMSSA-N -1 3 307.394 0.673 10 0 DCAEHM C[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])CCN1CCO ZINC000188743835 670042468 /nfs/dbraw/zinc/04/24/68/670042468.db2.gz JNAXMQBWXYWSQE-LLVKDONJSA-N -1 3 316.361 0.062 10 0 DCAEHM Cn1cc(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)nn1 ZINC000389910014 685257996 /nfs/dbraw/zinc/25/79/96/685257996.db2.gz IQPWYTMJXURRDX-UHFFFAOYSA-N -1 3 322.177 0.995 10 0 DCAEHM O=S(=O)([N-]CCOC(F)(F)C(F)(F)F)c1c[nH]cn1 ZINC000720307844 685312478 /nfs/dbraw/zinc/31/24/78/685312478.db2.gz HOUNWGPJAZBUPD-UHFFFAOYSA-N -1 3 309.216 0.860 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000076629391 185027556 /nfs/dbraw/zinc/02/75/56/185027556.db2.gz JFUUZEPJCXGNPE-ZDUSSCGKSA-N -1 3 301.346 0.676 10 0 DCAEHM Cc1nc(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])no1 ZINC000173625198 198233452 /nfs/dbraw/zinc/23/34/52/198233452.db2.gz DNESDYOWZQOEHY-UHFFFAOYSA-N -1 3 318.333 0.828 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@H]2CCCO2)c(C)o1 ZINC000081730649 192318325 /nfs/dbraw/zinc/31/83/25/192318325.db2.gz DRMAZCPOSQKYBV-SNVBAGLBSA-N -1 3 316.379 0.747 10 0 DCAEHM CN(Cc1cc(F)c(F)c(F)c1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000180788937 199209327 /nfs/dbraw/zinc/20/93/27/199209327.db2.gz BRPHHZLDTYLDQA-VIFPVBQESA-N -1 3 315.251 0.660 10 0 DCAEHM C[C@@H](O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127529701 296172746 /nfs/dbraw/zinc/17/27/46/296172746.db2.gz LSIDRSBYQJIVPO-DGCLKSJQSA-N -1 3 306.362 0.884 10 0 DCAEHM O=c1cc(C(F)(F)F)nc(NCCCN2CCOCC2)[n-]1 ZINC000057342924 184034331 /nfs/dbraw/zinc/03/43/31/184034331.db2.gz PVDJXCBGCINEHZ-UHFFFAOYSA-N -1 3 306.288 0.923 10 0 DCAEHM NC(=O)[C@@]1(O)CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000285532319 131177756 /nfs/dbraw/zinc/17/77/56/131177756.db2.gz NSJHOXYEWBBBEI-QGZVFWFLSA-N -1 3 318.373 0.723 10 0 DCAEHM C[C@H](CNC(=O)CN1CC(=O)[N-]C1=O)N1CCc2ccccc21 ZINC000111562779 395809911 /nfs/dbraw/zinc/80/99/11/395809911.db2.gz XKJVZBUBSNTVQR-LLVKDONJSA-N -1 3 316.361 0.106 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000151037524 395977021 /nfs/dbraw/zinc/97/70/21/395977021.db2.gz WVLKNESRHQCFKP-HLTSFMKQSA-N -1 3 305.787 0.980 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N[C@@H]1C[C@H]3OCCC[C@@H]13)c2[O-] ZINC000249256822 396004739 /nfs/dbraw/zinc/00/47/39/396004739.db2.gz YMVNOKKARJDBKR-XXILOJSOSA-N -1 3 302.334 0.971 10 0 DCAEHM Cc1cnc(CC[N-]S(=O)(=O)c2cn(C)cn2)n1CC1CC1 ZINC000169788155 396092786 /nfs/dbraw/zinc/09/27/86/396092786.db2.gz DZJJFYGOXSZMNH-UHFFFAOYSA-N -1 3 323.422 0.856 10 0 DCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1CCCOC1 ZINC000171693210 396122764 /nfs/dbraw/zinc/12/27/64/396122764.db2.gz MAIQHUXJRTXVIJ-LLVKDONJSA-N -1 3 317.345 0.375 10 0 DCAEHM CC(C)[C@@H](CNC(=O)CN1CC(=O)[N-]C1=O)c1cccnc1 ZINC000176343179 396153644 /nfs/dbraw/zinc/15/36/44/396153644.db2.gz QYQAEYXBJDSFCN-GFCCVEGCSA-N -1 3 304.350 0.489 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@@H]2C)s1 ZINC000075980208 396191066 /nfs/dbraw/zinc/19/10/66/396191066.db2.gz LVACZLQUEBFFBL-CBAPKCEASA-N -1 3 303.409 0.864 10 0 DCAEHM O=C(Nc1ccccc1[O-])C1CCN([C@@H]2CCNC2=O)CC1 ZINC000178284461 396192688 /nfs/dbraw/zinc/19/26/88/396192688.db2.gz ZDHOJLGHFMNOTO-CYBMUJFWSA-N -1 3 303.362 0.931 10 0 DCAEHM CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2ccc(C)o2)C1 ZINC000263499762 396219087 /nfs/dbraw/zinc/21/90/87/396219087.db2.gz SMCFUWFMVVAPBJ-UHFFFAOYSA-N -1 3 316.379 0.804 10 0 DCAEHM CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2ccc(C)o2)C1 ZINC000263499762 396219089 /nfs/dbraw/zinc/21/90/89/396219089.db2.gz SMCFUWFMVVAPBJ-UHFFFAOYSA-N -1 3 316.379 0.804 10 0 DCAEHM Cn1nccc1CCC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000184956978 396311465 /nfs/dbraw/zinc/31/14/65/396311465.db2.gz HFVQDBPRQJYSMQ-UHFFFAOYSA-N -1 3 316.361 0.605 10 0 DCAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)on1 ZINC000285962633 396366103 /nfs/dbraw/zinc/36/61/03/396366103.db2.gz NNHZGDSAOUOTPN-MXWKQRLJSA-N -1 3 307.354 0.408 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN3CCC2CC3)o1 ZINC000188607007 396383660 /nfs/dbraw/zinc/38/36/60/396383660.db2.gz KCIFRKZXUJLLEE-UHFFFAOYSA-N -1 3 313.379 0.108 10 0 DCAEHM C[C@H](OCc1ccccc1)C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000303092379 396725438 /nfs/dbraw/zinc/72/54/38/396725438.db2.gz XPYOUQWJEDFCDC-ZBEGNZNMSA-N -1 3 317.345 0.402 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](CC(N)=O)C2)cc1[O-] ZINC000629393576 396737976 /nfs/dbraw/zinc/73/79/76/396737976.db2.gz XVLMIKUBVYZDOK-NSHDSACASA-N -1 3 306.318 0.311 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCn3ccnc3C2)cn1C ZINC000328630043 396827418 /nfs/dbraw/zinc/82/74/18/396827418.db2.gz PKHJKVGGJLQIHJ-NSHDSACASA-N -1 3 309.395 0.466 10 0 DCAEHM CC(C)CCSCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000364512383 397211985 /nfs/dbraw/zinc/21/19/85/397211985.db2.gz XEKXANPXLKCGBW-CQSZACIVSA-N -1 3 313.423 0.966 10 0 DCAEHM COCCC1(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CCC1 ZINC000365122093 292287327 /nfs/dbraw/zinc/28/73/27/292287327.db2.gz QMMHFTLZDNUOCN-OAHLLOKOSA-N -1 3 309.366 0.394 10 0 DCAEHM O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1ccc([O-])cc1 ZINC000069145312 158045354 /nfs/dbraw/zinc/04/53/54/158045354.db2.gz PAQZQADTBVLXJB-SECBINFHSA-N -1 3 305.377 0.248 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)OC(C)(C)C ZINC000129307697 158287820 /nfs/dbraw/zinc/28/78/20/158287820.db2.gz YLQLFQKXBRGZAF-MXWKQRLJSA-N -1 3 322.427 0.660 10 0 DCAEHM C[C@H](CO)[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000131222550 158301033 /nfs/dbraw/zinc/30/10/33/158301033.db2.gz VFKPQOXINUAUOF-ZJUUUORDSA-N -1 3 320.436 0.550 10 0 DCAEHM CC(C)[C@H]1N(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C[C@]12CCCO2 ZINC000329335342 159083284 /nfs/dbraw/zinc/08/32/84/159083284.db2.gz OLWHZDKWJFIADS-QMTHXVAHSA-N -1 3 308.338 0.500 10 0 DCAEHM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)[N-]Cc1ccno1 ZINC000330201222 159149887 /nfs/dbraw/zinc/14/98/87/159149887.db2.gz XKWZVCTXCIDTQL-LBPRGKRZSA-N -1 3 315.395 0.885 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOCC[C@H]2C)c(C)o1 ZINC000367645103 159348175 /nfs/dbraw/zinc/34/81/75/159348175.db2.gz MHVHVHXWTHFXEE-SECBINFHSA-N -1 3 316.379 0.747 10 0 DCAEHM C[C@H]1CCOCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000367715828 159352520 /nfs/dbraw/zinc/35/25/20/159352520.db2.gz CQJGFLGGWORSFO-JTQLQIEISA-N -1 3 318.420 0.664 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)nc1C ZINC000408058886 160025926 /nfs/dbraw/zinc/02/59/26/160025926.db2.gz NYENZCPDFCUUPT-JTQLQIEISA-N -1 3 300.384 0.111 10 0 DCAEHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCNC2=O)cc1F ZINC000408306517 160081653 /nfs/dbraw/zinc/08/16/53/160081653.db2.gz DHXAFIUBGCZHFO-SNVBAGLBSA-N -1 3 304.318 0.830 10 0 DCAEHM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cncc(F)c1 ZINC000408392344 160099080 /nfs/dbraw/zinc/09/90/80/160099080.db2.gz HTGLUVXLQPRBSL-LLVKDONJSA-N -1 3 311.342 0.934 10 0 DCAEHM CC(=O)N1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C(C)(C)C1 ZINC000408400853 160101310 /nfs/dbraw/zinc/10/13/10/160101310.db2.gz YAHHYKDBDIBSHE-UHFFFAOYSA-N -1 3 321.381 0.331 10 0 DCAEHM CCc1onc(C)c1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000408450031 160111261 /nfs/dbraw/zinc/11/12/61/160111261.db2.gz HZGKZRXANYEMPQ-CQSZACIVSA-N -1 3 306.322 0.360 10 0 DCAEHM C[C@@H]1CC[C@@H](C(=O)NCC[N-]S(=O)(=O)c2cccs2)O1 ZINC000133211674 287009584 /nfs/dbraw/zinc/00/95/84/287009584.db2.gz VTNGOAMLRQWMRD-ZJUUUORDSA-N -1 3 318.420 0.710 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000272002499 415272280 /nfs/dbraw/zinc/27/22/80/415272280.db2.gz WECCAYIWFPRGLF-MNOVXSKESA-N -1 3 321.308 0.754 10 0 DCAEHM CCOc1nc2ccccc2nc1N1CCNC[C@H]1C(=O)[O-] ZINC000095069708 415548181 /nfs/dbraw/zinc/54/81/81/415548181.db2.gz OAAGJAKJFHWTLS-LBPRGKRZSA-N -1 3 302.334 0.891 10 0 DCAEHM CN1CCO[C@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C[C@H]21 ZINC000284387490 415599391 /nfs/dbraw/zinc/59/93/91/415599391.db2.gz BBFPYFMEKMVTNC-KGLIPLIRSA-N -1 3 301.350 0.503 10 0 DCAEHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCc2ncnn2C1 ZINC000120585774 415776348 /nfs/dbraw/zinc/77/63/48/415776348.db2.gz BUJQHMOJRRVRLY-MRVPVSSYSA-N -1 3 314.392 0.642 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@@H]2C)cn1C ZINC000174002814 416072415 /nfs/dbraw/zinc/07/24/15/416072415.db2.gz MOFGLRAOQIGIMY-JQWIXIFHSA-N -1 3 300.428 0.736 10 0 DCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCc3ncnn3C2)c1 ZINC000175015912 416094359 /nfs/dbraw/zinc/09/43/59/416094359.db2.gz VJZSCYRURFJZTN-NSHDSACASA-N -1 3 324.410 0.424 10 0 DCAEHM COc1ccc(-c2nc(CS(=O)(=O)c3nnc[n-]3)no2)cc1 ZINC000360090366 416370143 /nfs/dbraw/zinc/37/01/43/416370143.db2.gz ZFFMTXXGOCAUDW-UHFFFAOYSA-N -1 3 321.318 0.837 10 0 DCAEHM COCc1nn(Cc2noc(-c3ccccc3[O-])n2)c(=O)o1 ZINC000436818303 416572065 /nfs/dbraw/zinc/57/20/65/416572065.db2.gz KFWIBNRQSVVYGJ-UHFFFAOYSA-N -1 3 304.262 0.787 10 0 DCAEHM COCCC1(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CCCC1 ZINC000366084365 416617223 /nfs/dbraw/zinc/61/72/23/416617223.db2.gz MAIFAXLVCYKPLH-INIZCTEOSA-N -1 3 323.393 0.784 10 0 DCAEHM Cn1c(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)nc2cccc(Cl)c21 ZINC000183843595 261117514 /nfs/dbraw/zinc/11/75/14/261117514.db2.gz SKZRFRLJGDJBOR-QMMMGPOBSA-N -1 3 321.724 0.763 10 0 DCAEHM CNC(=O)Cn1nc([N-]S(=O)(=O)N2CCC[C@H]2C)cc1C ZINC000471967112 272034089 /nfs/dbraw/zinc/03/40/89/272034089.db2.gz YJOBAXLQHYNMAZ-SECBINFHSA-N -1 3 315.399 0.079 10 0 DCAEHM Cc1c(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)cnn1C ZINC000489482709 272062716 /nfs/dbraw/zinc/06/27/16/272062716.db2.gz RMEZOVXMCWLCSU-MRVPVSSYSA-N -1 3 301.290 0.320 10 0 DCAEHM CC(=O)[C@@H]1C[C@H](C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C1(C)C ZINC000366082188 278227757 /nfs/dbraw/zinc/22/77/57/278227757.db2.gz APDWPKJOZSNBOW-USBNGQNGSA-N -1 3 321.377 0.438 10 0 DCAEHM C[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CCN(C2CCC2)C1 ZINC000293620551 300205758 /nfs/dbraw/zinc/20/57/58/300205758.db2.gz FPWJJDKYWBBMQY-LLVKDONJSA-N -1 3 320.393 0.432 10 0 DCAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@@H](N3CCOCC3)C2)on1 ZINC000247254690 301356249 /nfs/dbraw/zinc/35/62/49/301356249.db2.gz ZFICJHULVKQHDH-CHWSQXEVSA-N -1 3 308.382 0.717 10 0 DCAEHM CCc1noc(C)c1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000388755040 334265709 /nfs/dbraw/zinc/26/57/09/334265709.db2.gz DMTQPUWMOJGAOT-AWEZNQCLSA-N -1 3 306.322 0.360 10 0 DCAEHM CC(C)[C@@H](O)CC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000162944070 519800208 /nfs/dbraw/zinc/80/02/08/519800208.db2.gz ZTOPTFOWSWCCTA-JTQLQIEISA-N -1 3 320.436 0.550 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 ZINC000080765580 545690167 /nfs/dbraw/zinc/69/01/67/545690167.db2.gz RCMMXTDMFOSYHY-HBNTYKKESA-N -1 3 312.395 0.191 10 0 DCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CC2CC(O)C2)c(F)c1 ZINC000091538636 545717993 /nfs/dbraw/zinc/71/79/93/545717993.db2.gz YXHHYUIMJHUVCG-UHFFFAOYSA-N -1 3 316.354 0.833 10 0 DCAEHM CSCC[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-] ZINC000050027874 571769603 /nfs/dbraw/zinc/76/96/03/571769603.db2.gz KYPMKDGKAYQCHO-NEPJUHHUSA-N -1 3 312.391 0.585 10 0 endogenous,in-man DCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)O ZINC000344957661 663081576 /nfs/dbraw/zinc/08/15/76/663081576.db2.gz UCFZUVGSHWWCNF-JGVFFNPUSA-N -1 3 305.327 0.660 10 0 DCAEHM CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000700239118 666696296 /nfs/dbraw/zinc/69/62/96/666696296.db2.gz VMYHQYLEZXMUSU-QMMMGPOBSA-N -1 3 323.777 0.483 10 0 DCAEHM Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[n-]c(N(C)C)n3)C2)[nH]n1 ZINC000864842940 667289158 /nfs/dbraw/zinc/28/91/58/667289158.db2.gz ULGXIGANCHYNNG-SNVBAGLBSA-N -1 3 316.365 0.909 10 0 DCAEHM Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[n-]c(N(C)C)n3)C2)n[nH]1 ZINC000864842940 667289159 /nfs/dbraw/zinc/28/91/59/667289159.db2.gz ULGXIGANCHYNNG-SNVBAGLBSA-N -1 3 316.365 0.909 10 0 DCAEHM CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000713274815 670154634 /nfs/dbraw/zinc/15/46/34/670154634.db2.gz HWNSGTXUQMPVSD-BNOWGMLFSA-N -1 3 306.362 0.723 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCC(=O)N(C)C ZINC000193926969 670379269 /nfs/dbraw/zinc/37/92/69/670379269.db2.gz SELIJJNTKAIBAA-UHFFFAOYSA-N -1 3 322.818 0.529 10 0 DCAEHM Cn1cnnc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000157139330 291227455 /nfs/dbraw/zinc/22/74/55/291227455.db2.gz YELCZHDPJFVCLT-NSHDSACASA-N -1 3 315.333 0.764 10 0 DCAEHM O=C(CSCCc1ccccc1)Nc1c[nH]c(=O)[n-]c1=O ZINC000021027109 182262257 /nfs/dbraw/zinc/26/22/57/182262257.db2.gz FUGIAZSTLPXYFN-UHFFFAOYSA-N -1 3 305.359 0.978 10 0 DCAEHM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CNCC[C@H]1C ZINC000261618224 284620011 /nfs/dbraw/zinc/62/00/11/284620011.db2.gz BLJQPDDGPAFQAI-HTQZYQBOSA-N -1 3 319.408 0.206 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(Cc1cccc(F)c1)C1CC1 ZINC000056749336 184018881 /nfs/dbraw/zinc/01/88/81/184018881.db2.gz HUAWWSZFGDTEQY-LBPRGKRZSA-N -1 3 305.309 0.915 10 0 DCAEHM C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286507256 219025507 /nfs/dbraw/zinc/02/55/07/219025507.db2.gz AFNAALJXODSOOF-IMTBSYHQSA-N -1 3 321.761 0.820 10 0 DCAEHM C[C@@H](CNC=C1C(=O)[N-]C(=O)c2ccccc21)N1CCOCC1 ZINC000032080276 395709095 /nfs/dbraw/zinc/70/90/95/395709095.db2.gz IJKATUPCMWWFFM-YGRGUWMTSA-N -1 3 315.373 0.608 10 0 DCAEHM Cc1cccnc1[C@H](NC(=O)CN1CC(=O)[N-]C1=O)C(C)C ZINC000134964111 395936502 /nfs/dbraw/zinc/93/65/02/395936502.db2.gz DAEKNALCHSLHNS-CYBMUJFWSA-N -1 3 304.350 0.755 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@@H]2CN(C(C)C)C[C@H]2C)cn1C ZINC000246981747 395962779 /nfs/dbraw/zinc/96/27/79/395962779.db2.gz MOFGLRAOQIGIMY-ZYHUDNBSSA-N -1 3 300.428 0.736 10 0 DCAEHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[C@H](C)CO ZINC000247007940 395963876 /nfs/dbraw/zinc/96/38/76/395963876.db2.gz ZBIPQYYRZJLCIU-BBBLOLIVSA-N -1 3 320.436 0.548 10 0 DCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3COCCN3)cc2)n1 ZINC000153411784 396024120 /nfs/dbraw/zinc/02/41/20/396024120.db2.gz JNWFCVJVOBTMSI-CYBMUJFWSA-N -1 3 314.345 0.672 10 0 DCAEHM CCN(Cc1c(F)cccc1F)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000069518811 396081194 /nfs/dbraw/zinc/08/11/94/396081194.db2.gz PCUXYUIEAVGBCR-NSHDSACASA-N -1 3 311.288 0.911 10 0 DCAEHM CC(C)[C@@H](C)CC(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000262950330 396194056 /nfs/dbraw/zinc/19/40/56/396194056.db2.gz OPQRVLJKUOHGDH-STQMWFEESA-N -1 3 300.399 0.912 10 0 DCAEHM Cc1ccc2c(c1)[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@@H](C)C2 ZINC000183173759 396264211 /nfs/dbraw/zinc/26/42/11/396264211.db2.gz MFTBITKITUIINR-UFBFGSQYSA-N -1 3 314.345 0.617 10 0 DCAEHM Cc1nc(C2(NC(=O)CN3CC(=O)[N-]C3=O)CCCCC2)no1 ZINC000265445217 396318114 /nfs/dbraw/zinc/31/81/14/396318114.db2.gz LXIZDANJXADUNH-UHFFFAOYSA-N -1 3 321.337 0.205 10 0 DCAEHM Cc1c([O-])ccc2c(CN3C[C@H](O)C[C@@H]3CO)cc(=O)oc12 ZINC000185143316 396319616 /nfs/dbraw/zinc/31/96/16/396319616.db2.gz PNLIKFZTLFSLMT-VXGBXAGGSA-N -1 3 305.330 0.735 10 0 DCAEHM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ncc2C)cn1C ZINC000533468413 396603168 /nfs/dbraw/zinc/60/31/68/396603168.db2.gz ZWFDMPURNKPGAF-UHFFFAOYSA-N -1 3 322.390 0.619 10 0 DCAEHM CCc1ccccc1OCC(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000376511994 396939877 /nfs/dbraw/zinc/93/98/77/396939877.db2.gz FPOAAJJIWHJEBU-MRXNPFEDSA-N -1 3 317.345 0.438 10 0 DCAEHM O=S(=O)([N-][C@H]1CCOC[C@H]1O)c1ccc(F)cc1Cl ZINC000625598873 396943835 /nfs/dbraw/zinc/94/38/35/396943835.db2.gz VIHGYWCUWSMZDD-VHSXEESVSA-N -1 3 309.746 0.907 10 0 DCAEHM c1nc2nc(=NCCN3CCOCC3)cc(-c3ccccc3)n2[n-]1 ZINC000631033256 397158834 /nfs/dbraw/zinc/15/88/34/397158834.db2.gz YLYZVJQCMJJYAB-UHFFFAOYSA-N -1 3 324.388 0.957 10 0 DCAEHM CN1CCO[C@H]2CCN(C(=O)c3cc(F)cc4[n-]nnc43)C[C@H]21 ZINC000329206640 159073048 /nfs/dbraw/zinc/07/30/48/159073048.db2.gz XLMYXWJTRSANKT-OLZOCXBDSA-N -1 3 319.340 0.642 10 0 DCAEHM CN1CCO[C@H]2CCN(C(=O)c3cc(F)cc4nn[n-]c43)C[C@H]21 ZINC000329206640 159073051 /nfs/dbraw/zinc/07/30/51/159073051.db2.gz XLMYXWJTRSANKT-OLZOCXBDSA-N -1 3 319.340 0.642 10 0 DCAEHM CN1CCO[C@H]2CCN(C(=O)c3cc(F)cc4n[n-]nc43)C[C@H]21 ZINC000329206640 159073053 /nfs/dbraw/zinc/07/30/53/159073053.db2.gz XLMYXWJTRSANKT-OLZOCXBDSA-N -1 3 319.340 0.642 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)C[C@@H](C)O1 ZINC000408003324 160007788 /nfs/dbraw/zinc/00/77/88/160007788.db2.gz JLTLNEPXNUJRHW-HLTSFMKQSA-N -1 3 320.333 0.243 10 0 DCAEHM Cc1noc([C@H](C)[N-]S(=O)(=O)N2C[C@H](C)OC[C@H]2C)n1 ZINC000408233909 160065736 /nfs/dbraw/zinc/06/57/36/160065736.db2.gz BXTIZMIBFJHICB-VGMNWLOBSA-N -1 3 304.372 0.383 10 0 DCAEHM CC1(O)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000408410760 160102835 /nfs/dbraw/zinc/10/28/35/160102835.db2.gz YJUYWSDELYSYLO-GFCCVEGCSA-N -1 3 304.346 0.590 10 0 DCAEHM CC1(C)Cc2ccc(C(=O)N3CCO[C@@H](CO)C3)c([O-])c2O1 ZINC000408410523 160103048 /nfs/dbraw/zinc/10/30/48/160103048.db2.gz SUIRAFBIEWZPSO-LLVKDONJSA-N -1 3 307.346 0.939 10 0 DCAEHM COc1ccc(O)cc1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000408454606 160111992 /nfs/dbraw/zinc/11/19/92/160111992.db2.gz VMYIZABSRUHPJL-HNNXBMFYSA-N -1 3 319.317 0.215 10 0 DCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCC(=O)NC2)cc1 ZINC000110906319 415686347 /nfs/dbraw/zinc/68/63/47/415686347.db2.gz XVFBJWSDUIHCRX-LLVKDONJSA-N -1 3 311.363 0.067 10 0 DCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000125442317 415867019 /nfs/dbraw/zinc/86/70/19/415867019.db2.gz OEBUAQSABZZGHT-UHFFFAOYSA-N -1 3 302.216 0.513 10 0 DCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000125442317 415867021 /nfs/dbraw/zinc/86/70/21/415867021.db2.gz OEBUAQSABZZGHT-UHFFFAOYSA-N -1 3 302.216 0.513 10 0 DCAEHM Cc1cccc2[nH]cc(CCNC(=O)C[C@@H]3NC(=O)[N-]C3=O)c21 ZINC000134155103 415956321 /nfs/dbraw/zinc/95/63/21/415956321.db2.gz JTDIEUNJZCRVKO-LBPRGKRZSA-N -1 3 314.345 0.733 10 0 DCAEHM COc1nnc(NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)[n-]1 ZINC000179378510 416186948 /nfs/dbraw/zinc/18/69/48/416186948.db2.gz MYIRQUSFXKZIAL-MRVPVSSYSA-N -1 3 314.309 0.667 10 0 DCAEHM COc1nc(NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)n[n-]1 ZINC000179378510 416186950 /nfs/dbraw/zinc/18/69/50/416186950.db2.gz MYIRQUSFXKZIAL-MRVPVSSYSA-N -1 3 314.309 0.667 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)n1 ZINC000179378510 416186954 /nfs/dbraw/zinc/18/69/54/416186954.db2.gz MYIRQUSFXKZIAL-MRVPVSSYSA-N -1 3 314.309 0.667 10 0 DCAEHM CC1(C)CN(C(=O)CN2CC(=O)[N-]C2=O)CC[C@@H]1C(F)(F)F ZINC000190649387 416282006 /nfs/dbraw/zinc/28/20/06/416282006.db2.gz BJJNWTSMCHXPBM-QMMMGPOBSA-N -1 3 321.299 0.975 10 0 DCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC23CCC3)c1 ZINC000370118460 416884706 /nfs/dbraw/zinc/88/47/06/416884706.db2.gz BAUIVSNQJFMYMZ-UHFFFAOYSA-N -1 3 312.395 0.244 10 0 DCAEHM CC(=O)C1([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000632448676 417096099 /nfs/dbraw/zinc/09/60/99/417096099.db2.gz UZUABQXNZJDXIF-UHFFFAOYSA-N -1 3 317.388 0.490 10 0 DCAEHM COC(=O)C1([N-]S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)CCCC1 ZINC000408193613 417146410 /nfs/dbraw/zinc/14/64/10/417146410.db2.gz SYYLLQXLPKXNAT-WDEREUQCSA-N -1 3 305.396 0.959 10 0 DCAEHM CNC(=O)Cn1nc([N-]S(=O)(=O)N2CCC[C@@H]2C)cc1C ZINC000471967113 272034217 /nfs/dbraw/zinc/03/42/17/272034217.db2.gz YJOBAXLQHYNMAZ-VIFPVBQESA-N -1 3 315.399 0.079 10 0 DCAEHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172744724 280193708 /nfs/dbraw/zinc/19/37/08/280193708.db2.gz LLTFQGSUUZBRLY-LBPRGKRZSA-N -1 3 301.350 0.505 10 0 DCAEHM COCC[C@H]1COCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565195854 288828250 /nfs/dbraw/zinc/82/82/50/288828250.db2.gz NXEYSIQPLGLEBP-NSHDSACASA-N -1 3 307.350 0.937 10 0 DCAEHM O=C(NCCc1nnc2n1CCCC2)c1c([O-])cccc1O ZINC000166341110 534510697 /nfs/dbraw/zinc/51/06/97/534510697.db2.gz LLQSQFXDDSUVAB-UHFFFAOYSA-N -1 3 302.334 0.998 10 0 DCAEHM O=C(NCCc1cccc(Cl)c1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000154592272 526414977 /nfs/dbraw/zinc/41/49/77/526414977.db2.gz NTYRUECTQQNUQL-UHFFFAOYSA-N -1 3 321.764 0.987 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1nc(C(F)(F)F)cs1 ZINC000153063384 526722638 /nfs/dbraw/zinc/72/26/38/526722638.db2.gz GQBCMVRZQRNDBV-UHFFFAOYSA-N -1 3 322.268 0.330 10 0 DCAEHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cc2c(cn1)nc[nH]c2=O ZINC000188114550 527494715 /nfs/dbraw/zinc/49/47/15/527494715.db2.gz MKIBPHAJRMJBLE-UHFFFAOYSA-N -1 3 311.305 0.956 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC(=O)N(C)C2)c(F)c1 ZINC000681821406 548299683 /nfs/dbraw/zinc/29/96/83/548299683.db2.gz QRPGJPAYGDTBNW-SNVBAGLBSA-N -1 3 300.355 0.891 10 0 DCAEHM CC(C)(C[N-]S(=O)(=O)c1cccnc1F)CS(C)(=O)=O ZINC000723856724 657666302 /nfs/dbraw/zinc/66/63/02/657666302.db2.gz STERTSTWJDDBTD-UHFFFAOYSA-N -1 3 324.399 0.570 10 0 DCAEHM O=S(=O)([N-]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccnc1Cl ZINC000724545600 658433667 /nfs/dbraw/zinc/43/36/67/658433667.db2.gz DLVSAVUDZKTBNQ-BBBLOLIVSA-N -1 3 318.782 0.817 10 0 DCAEHM CSc1ncc(C=CC(=O)NCc2cc(=O)[n-]c(C)n2)cn1 ZINC000056705266 664410174 /nfs/dbraw/zinc/41/01/74/664410174.db2.gz YPBYEDXQJNJVQU-ARJAWSKDSA-N -1 3 317.374 0.920 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000702362555 666945683 /nfs/dbraw/zinc/94/56/83/666945683.db2.gz DWOFUSFZWOFOOU-PBHICJAKSA-N -1 3 319.405 0.769 10 0 DCAEHM CN(C)c1nc([C@H]2CCN(C(=O)c3ncc[nH]3)C2)cc(=O)[n-]1 ZINC000864834615 667287310 /nfs/dbraw/zinc/28/73/10/667287310.db2.gz AWMCLBJVZDUSEL-VIFPVBQESA-N -1 3 302.338 0.601 10 0 DCAEHM C[C@H](O)[C@H](O)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000717298736 667542667 /nfs/dbraw/zinc/54/26/67/667542667.db2.gz MYQGGKYNYQFBDI-QUBYGPBYSA-N -1 3 304.140 0.626 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C)nn1 ZINC000712702699 670150778 /nfs/dbraw/zinc/15/07/78/670150778.db2.gz QSMIJIIPOBFHEJ-SECBINFHSA-N -1 3 301.368 0.794 10 0 DCAEHM COc1ncc(S(=O)(=O)[N-]CC2CCC(O)CC2)s1 ZINC000389082100 685256084 /nfs/dbraw/zinc/25/60/84/685256084.db2.gz LNNDMWYDEJJFFA-UHFFFAOYSA-N -1 3 306.409 0.981 10 0 DCAEHM CNC(=O)Cn1cc([N-]S(=O)(=O)N2CCC[C@@H](C)C2)cn1 ZINC000172887007 529877104 /nfs/dbraw/zinc/87/71/04/529877104.db2.gz MVVYZYUDUYYWOX-SNVBAGLBSA-N -1 3 315.399 0.018 10 0 DCAEHM CC1(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)COC1 ZINC000083522772 192371847 /nfs/dbraw/zinc/37/18/47/192371847.db2.gz UDNZJCIVZPJVPX-UHFFFAOYSA-N -1 3 318.420 0.569 10 0 DCAEHM COc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)[n-]1 ZINC000179371843 199023569 /nfs/dbraw/zinc/02/35/69/199023569.db2.gz NTTNFQPDIIIYHT-NSHDSACASA-N -1 3 315.333 0.801 10 0 DCAEHM COc1nc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n[n-]1 ZINC000179371843 199023571 /nfs/dbraw/zinc/02/35/71/199023571.db2.gz NTTNFQPDIIIYHT-NSHDSACASA-N -1 3 315.333 0.801 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000179371843 199023572 /nfs/dbraw/zinc/02/35/72/199023572.db2.gz NTTNFQPDIIIYHT-NSHDSACASA-N -1 3 315.333 0.801 10 0 DCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@@H]1C ZINC000173123637 237156383 /nfs/dbraw/zinc/15/63/83/237156383.db2.gz GDHCLAPJZVEZKD-WPRPVWTQSA-N -1 3 315.395 0.969 10 0 DCAEHM O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000178298594 284263839 /nfs/dbraw/zinc/26/38/39/284263839.db2.gz XNLIYFNOOBZAMO-GJZGRUSLSA-N -1 3 322.320 0.958 10 0 DCAEHM C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000282657616 217156533 /nfs/dbraw/zinc/15/65/33/217156533.db2.gz VDHSEVFOTHEYCJ-WRWORJQWSA-N -1 3 304.318 0.910 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000110057969 194307680 /nfs/dbraw/zinc/30/76/80/194307680.db2.gz TVNAQPCFIWCJCQ-UHFFFAOYSA-N -1 3 317.280 0.502 10 0 DCAEHM CN(Cc1nc2ccccc2s1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000042814568 395749139 /nfs/dbraw/zinc/74/91/39/395749139.db2.gz QMNLPMCPNACNAJ-VIFPVBQESA-N -1 3 318.358 0.853 10 0 DCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1(CO)CC1 ZINC000226481548 395865514 /nfs/dbraw/zinc/86/55/14/395865514.db2.gz AKHNGWQXLXJNFT-UHFFFAOYSA-N -1 3 305.377 0.646 10 0 DCAEHM CC(C)(C)CCS(=O)(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000227768603 395869969 /nfs/dbraw/zinc/86/99/69/395869969.db2.gz FRPCRFIPKUVNMZ-GFCCVEGCSA-N -1 3 303.384 0.036 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)CNC(=O)C(C)(C)C)n[n-]1 ZINC000119677732 395873791 /nfs/dbraw/zinc/87/37/91/395873791.db2.gz FUFPALCIGFWFDW-UHFFFAOYSA-N -1 3 304.354 0.911 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)CNC(=O)C(C)(C)C)[n-]n1 ZINC000119677732 395873795 /nfs/dbraw/zinc/87/37/95/395873795.db2.gz FUFPALCIGFWFDW-UHFFFAOYSA-N -1 3 304.354 0.911 10 0 DCAEHM C[C@@H](O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000136099108 395944527 /nfs/dbraw/zinc/94/45/27/395944527.db2.gz YLZXXTVMTVPVMC-ZJUUUORDSA-N -1 3 318.370 0.380 10 0 DCAEHM C[C@H](O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000136099138 395944614 /nfs/dbraw/zinc/94/46/14/395944614.db2.gz YLZXXTVMTVPVMC-UWVGGRQHSA-N -1 3 318.370 0.380 10 0 DCAEHM Cc1cc(C)n(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000068974145 396067375 /nfs/dbraw/zinc/06/73/75/396067375.db2.gz YYFHSQXWHARJPH-UHFFFAOYSA-N -1 3 311.349 0.996 10 0 DCAEHM Cc1cc(C)n(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000068974145 396067379 /nfs/dbraw/zinc/06/73/79/396067379.db2.gz YYFHSQXWHARJPH-UHFFFAOYSA-N -1 3 311.349 0.996 10 0 DCAEHM Cc1cnc([C@H](NC(=O)CN2CC(=O)[N-]C2=O)C2CC2)s1 ZINC000174027640 396137138 /nfs/dbraw/zinc/13/71/38/396137138.db2.gz NMSCWKSYKNXRDS-LLVKDONJSA-N -1 3 308.363 0.571 10 0 DCAEHM COc1nnc(NC(=O)c2ccc3c(c2)CCC(=O)N3C)[n-]1 ZINC000182985683 396258223 /nfs/dbraw/zinc/25/82/23/396258223.db2.gz MHSDLFKMEFQCNB-UHFFFAOYSA-N -1 3 301.306 0.975 10 0 DCAEHM COc1nc(NC(=O)c2ccc3c(c2)CCC(=O)N3C)n[n-]1 ZINC000182985683 396258224 /nfs/dbraw/zinc/25/82/24/396258224.db2.gz MHSDLFKMEFQCNB-UHFFFAOYSA-N 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FGMFPLYYCSUIBO-OIBJUYFYSA-N -1 3 304.318 0.910 10 0 DCAEHM CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000185183013 396321231 /nfs/dbraw/zinc/32/12/31/396321231.db2.gz KJDFMWSKUTZHCP-VIFPVBQESA-N -1 3 324.761 0.173 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-]Cc2nnc(C3CC3)o2)C[C@@H](C)O1 ZINC000189067364 396390339 /nfs/dbraw/zinc/39/03/39/396390339.db2.gz RQWBSHCSELQTEM-RKDXNWHRSA-N -1 3 316.383 0.391 10 0 DCAEHM COC(=O)CC1([N-]S(=O)(=O)c2cn(C)c(C)n2)CCCC1 ZINC000193016049 396442486 /nfs/dbraw/zinc/44/24/86/396442486.db2.gz ZVNQUZADUWSAEF-UHFFFAOYSA-N -1 3 315.395 0.883 10 0 DCAEHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)CN)cc1 ZINC000193312778 396448546 /nfs/dbraw/zinc/44/85/46/396448546.db2.gz DSUGJCOUSGHDRN-UHFFFAOYSA-N -1 3 321.349 0.261 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCOC[C@@H]1O)c1cc(F)ccc1Cl ZINC000625595894 396941148 /nfs/dbraw/zinc/94/11/48/396941148.db2.gz ZCLCPIHJYRILSQ-ZJUUUORDSA-N -1 3 309.746 0.907 10 0 DCAEHM O=S(=O)([N-][C@H]1CCOC[C@H]1O)c1cccc(Cl)c1F ZINC000625597281 396942302 /nfs/dbraw/zinc/94/23/02/396942302.db2.gz NPWIJWIFGVLDKN-DTWKUNHWSA-N -1 3 309.746 0.907 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000630575527 397050859 /nfs/dbraw/zinc/05/08/59/397050859.db2.gz OMFHJVDIGVLQSC-AWEZNQCLSA-N -1 3 319.405 0.817 10 0 DCAEHM COCc1cncc(C(=O)Nc2nc(CC(=O)OC)n[n-]2)c1 ZINC000613234171 397224503 /nfs/dbraw/zinc/22/45/03/397224503.db2.gz MZULREJPIZJRIU-UHFFFAOYSA-N -1 3 305.294 0.314 10 0 DCAEHM COCc1cncc(C(=O)Nc2nnc(CC(=O)OC)[n-]2)c1 ZINC000613234171 397224508 /nfs/dbraw/zinc/22/45/08/397224508.db2.gz MZULREJPIZJRIU-UHFFFAOYSA-N -1 3 305.294 0.314 10 0 DCAEHM COCc1cncc(C(=O)Nc2n[n-]c(CC(=O)OC)n2)c1 ZINC000613234171 397224512 /nfs/dbraw/zinc/22/45/12/397224512.db2.gz MZULREJPIZJRIU-UHFFFAOYSA-N -1 3 305.294 0.314 10 0 DCAEHM C[C@@H]1CN(CCNS(=O)(=O)c2ccc([O-])cc2)C[C@@H](C)O1 ZINC000606302418 397678837 /nfs/dbraw/zinc/67/88/37/397678837.db2.gz FHFQSHOGCVZQNR-VXGBXAGGSA-N -1 3 314.407 0.780 10 0 DCAEHM COC(=O)[C@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)C1 ZINC000608975554 397759687 /nfs/dbraw/zinc/75/96/87/397759687.db2.gz UGPLEEKHEMDBIG-VIFPVBQESA-N -1 3 305.338 0.454 10 0 DCAEHM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1ccc([O-])cc1 ZINC000069145313 158044792 /nfs/dbraw/zinc/04/47/92/158044792.db2.gz PAQZQADTBVLXJB-VIFPVBQESA-N -1 3 305.377 0.248 10 0 DCAEHM Cn1cnc(C[N-]S(=O)(=O)c2cccc3ncccc32)n1 ZINC000092265124 158111908 /nfs/dbraw/zinc/11/19/08/158111908.db2.gz IJCQATCYXAHNBH-UHFFFAOYSA-N -1 3 303.347 0.842 10 0 DCAEHM O=C1CN(Cc2nc(COc3ccc(F)cc3)no2)C(=O)[N-]1 ZINC000121461769 158210304 /nfs/dbraw/zinc/21/03/04/158210304.db2.gz BBIZEZOCCGDCAB-UHFFFAOYSA-N -1 3 306.253 0.840 10 0 DCAEHM CN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C2(CCCCC2)C1 ZINC000124760947 158246687 /nfs/dbraw/zinc/24/66/87/158246687.db2.gz OVIIDLONNNAAFA-NSHDSACASA-N -1 3 308.382 0.061 10 0 DCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)C1C2CC3CC(C2)CC1C3 ZINC000134594624 158328449 /nfs/dbraw/zinc/32/84/49/158328449.db2.gz SYCNTXZWMSSSLH-UHFFFAOYSA-N -1 3 305.378 0.821 10 0 DCAEHM CN1CCO[C@@H]2CCN(C(=O)c3cc(F)cc4[n-]nnc43)C[C@@H]21 ZINC000329206642 159072925 /nfs/dbraw/zinc/07/29/25/159072925.db2.gz XLMYXWJTRSANKT-QWHCGFSZSA-N -1 3 319.340 0.642 10 0 DCAEHM CN1CCO[C@@H]2CCN(C(=O)c3cc(F)cc4nn[n-]c43)C[C@@H]21 ZINC000329206642 159072927 /nfs/dbraw/zinc/07/29/27/159072927.db2.gz XLMYXWJTRSANKT-QWHCGFSZSA-N -1 3 319.340 0.642 10 0 DCAEHM CN1CCO[C@@H]2CCN(C(=O)c3cc(F)cc4n[n-]nc43)C[C@@H]21 ZINC000329206642 159072929 /nfs/dbraw/zinc/07/29/29/159072929.db2.gz XLMYXWJTRSANKT-QWHCGFSZSA-N -1 3 319.340 0.642 10 0 DCAEHM Cn1[n-]c(CN2CCC[C@@]2(CO)Cc2ccccc2)nc1=O ZINC000330032979 159136927 /nfs/dbraw/zinc/13/69/27/159136927.db2.gz VFROTZRNCWCOIS-INIZCTEOSA-N -1 3 302.378 0.678 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)c1 ZINC000330460068 159176730 /nfs/dbraw/zinc/17/67/30/159176730.db2.gz JSQHEACDCJETEC-ZETCQYMHSA-N -1 3 301.290 0.495 10 0 DCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CC[C@@H](C)C1 ZINC000407982367 160002557 /nfs/dbraw/zinc/00/25/57/160002557.db2.gz YDHUYXOIIHPWQK-SCZZXKLOSA-N -1 3 315.395 0.827 10 0 DCAEHM CC(=O)[C@@](C)(O)CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000331251214 287145511 /nfs/dbraw/zinc/14/55/11/287145511.db2.gz XIXLMBRNGBKKID-INIZCTEOSA-N -1 3 306.362 0.490 10 0 DCAEHM CC(C)N(CCc1nccs1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000123543565 415843077 /nfs/dbraw/zinc/84/30/77/415843077.db2.gz WAAJTRKCSULKBN-VIFPVBQESA-N -1 3 310.379 0.521 10 0 DCAEHM Cc1noc([C@H]2COCCN2C(=O)c2ccc3n[n-]nc3c2)n1 ZINC000121135075 415793098 /nfs/dbraw/zinc/79/30/98/415793098.db2.gz SGTFYZBYWWFEMY-GFCCVEGCSA-N -1 3 314.305 0.863 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)CCO ZINC000133917843 415952114 /nfs/dbraw/zinc/95/21/14/415952114.db2.gz HILDYGKDWLOYDI-SSDOTTSWSA-N -1 3 305.352 0.732 10 0 DCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](O)C(C)C ZINC000158859044 416003218 /nfs/dbraw/zinc/00/32/18/416003218.db2.gz GZXAFVBVZQPGPW-MRVPVSSYSA-N -1 3 307.393 0.830 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@@H](C)OC[C@H]1C)c1ccco1 ZINC000175353304 416103800 /nfs/dbraw/zinc/10/38/00/416103800.db2.gz RMEVDAYZZYIYCZ-UTUOFQBUSA-N -1 3 318.395 0.911 10 0 DCAEHM CCN1CCN(c2ccc(C(=O)Nc3nnn[n-]3)cc2)CC1 ZINC000175487948 416106919 /nfs/dbraw/zinc/10/69/19/416106919.db2.gz VXCPXLJYCICPTN-UHFFFAOYSA-N -1 3 301.354 0.594 10 0 DCAEHM CCN1CCN(c2ccc(C(=O)Nc3nn[n-]n3)cc2)CC1 ZINC000175487948 416106922 /nfs/dbraw/zinc/10/69/22/416106922.db2.gz VXCPXLJYCICPTN-UHFFFAOYSA-N -1 3 301.354 0.594 10 0 DCAEHM O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000179215407 416184897 /nfs/dbraw/zinc/18/48/97/416184897.db2.gz YFGFJQDMWOJFRZ-ZWNOBZJWSA-N -1 3 302.330 0.851 10 0 DCAEHM C[C@H](O)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182549226 416226725 /nfs/dbraw/zinc/22/67/25/416226725.db2.gz CICFPBCWWREVFT-AAEUAGOBSA-N -1 3 306.362 0.836 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436717548 416568645 /nfs/dbraw/zinc/56/86/45/416568645.db2.gz HKXBKSZGZJTTPS-BDAKNGLRSA-N -1 3 324.333 0.284 10 0 DCAEHM O=C(CC1(O)CCCCC1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366168752 416619621 /nfs/dbraw/zinc/61/96/21/416619621.db2.gz UWWKCMKOJZYNNI-HNNXBMFYSA-N -1 3 309.366 0.272 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)nc1C ZINC000404212406 417118749 /nfs/dbraw/zinc/11/87/49/417118749.db2.gz WHYXMHMPQAJALG-LBPRGKRZSA-N -1 3 303.384 0.031 10 0 DCAEHM COC(=O)C1([N-]S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000408106651 417139918 /nfs/dbraw/zinc/13/99/18/417139918.db2.gz YUOPRKHHOGTUQE-PHIMTYICSA-N -1 3 320.411 0.416 10 0 DCAEHM Cc1nc(C)c(CC(=O)NC[C@@H](C)N2CCCCC2=O)c(=O)[n-]1 ZINC000526016928 417175360 /nfs/dbraw/zinc/17/53/60/417175360.db2.gz VOTPWTKWAMXGAI-SNVBAGLBSA-N -1 3 320.393 0.859 10 0 DCAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000532134569 417663084 /nfs/dbraw/zinc/66/30/84/417663084.db2.gz HZDUXRSDXDGIGG-SNVBAGLBSA-N -1 3 321.362 0.164 10 0 DCAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000532134569 417663090 /nfs/dbraw/zinc/66/30/90/417663090.db2.gz HZDUXRSDXDGIGG-SNVBAGLBSA-N -1 3 321.362 0.164 10 0 DCAEHM CC(C)(C)C(=O)NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000194733154 261147320 /nfs/dbraw/zinc/14/73/20/261147320.db2.gz BVEHQWQDKBUVFS-UHFFFAOYSA-N -1 3 316.365 0.645 10 0 DCAEHM CC(C)(C)C(=O)NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000194733154 261147323 /nfs/dbraw/zinc/14/73/23/261147323.db2.gz BVEHQWQDKBUVFS-UHFFFAOYSA-N -1 3 316.365 0.645 10 0 DCAEHM CCOC(=O)[C@H](CNC(=O)c1c[n-]nn1)Cc1ccccc1 ZINC000195063486 261150692 /nfs/dbraw/zinc/15/06/92/261150692.db2.gz BLTSAWVUIFFGGR-LBPRGKRZSA-N -1 3 302.334 0.957 10 0 DCAEHM CCOC(=O)[C@H](CNC(=O)c1cnn[n-]1)Cc1ccccc1 ZINC000195063486 261150693 /nfs/dbraw/zinc/15/06/93/261150693.db2.gz BLTSAWVUIFFGGR-LBPRGKRZSA-N -1 3 302.334 0.957 10 0 DCAEHM CCOC(=O)[C@H](CNC(=O)c1cn[n-]n1)Cc1ccccc1 ZINC000195063486 261150695 /nfs/dbraw/zinc/15/06/95/261150695.db2.gz BLTSAWVUIFFGGR-LBPRGKRZSA-N -1 3 302.334 0.957 10 0 DCAEHM C[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C[C@H]1O ZINC000221840026 261152260 /nfs/dbraw/zinc/15/22/60/261152260.db2.gz GFDQEOIMTVJJLC-GXFFZTMASA-N -1 3 312.391 0.901 10 0 DCAEHM C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000393021069 262161266 /nfs/dbraw/zinc/16/12/66/262161266.db2.gz RLEZUTBMQFTSPY-RDDDGLTNSA-N -1 3 304.318 0.910 10 0 DCAEHM Cc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c([O-])c1C ZINC000447758640 271800166 /nfs/dbraw/zinc/80/01/66/271800166.db2.gz NCVCFQLWRWQBMJ-MRXNPFEDSA-N -1 3 317.345 0.823 10 0 DCAEHM O=C(Cc1cncc([O-])c1)N1CC[C@H](CN2CCOC2=O)C1 ZINC000496683583 272335376 /nfs/dbraw/zinc/33/53/76/272335376.db2.gz PMHVHYZCMRLGDZ-NSHDSACASA-N -1 3 305.334 0.630 10 0 DCAEHM CC(=O)NCCC[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000055220856 664367596 /nfs/dbraw/zinc/36/75/96/664367596.db2.gz PSOZTNIFTRCPNW-UHFFFAOYSA-N -1 3 308.791 0.186 10 0 DCAEHM CCOc1nnc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)[n-]1 ZINC000228770832 1180399398 /nfs/dbraw/zinc/39/93/98/1180399398.db2.gz XMYRRYUSKASMGK-JMCQJSRRSA-N -1 3 311.367 0.596 10 0 DCAEHM CCOc1nc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)n[n-]1 ZINC000228770832 1180399407 /nfs/dbraw/zinc/39/94/07/1180399407.db2.gz XMYRRYUSKASMGK-JMCQJSRRSA-N -1 3 311.367 0.596 10 0 DCAEHM CCOc1n[n-]c(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)n1 ZINC000228770832 1180399412 /nfs/dbraw/zinc/39/94/12/1180399412.db2.gz XMYRRYUSKASMGK-JMCQJSRRSA-N -1 3 311.367 0.596 10 0 DCAEHM CCOC(=O)c1cc(NC(=O)Cn2nnc3ccccc32)[n-]n1 ZINC000183282519 1185192831 /nfs/dbraw/zinc/19/28/31/1185192831.db2.gz AADMDRQWVIZPQI-UHFFFAOYSA-N -1 3 314.305 0.970 10 0 DCAEHM CCOC(=O)c1cc(NC(=O)Cn2nnc3ccccc32)n[n-]1 ZINC000183282519 1185192833 /nfs/dbraw/zinc/19/28/33/1185192833.db2.gz AADMDRQWVIZPQI-UHFFFAOYSA-N -1 3 314.305 0.970 10 0 DCAEHM CN1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCC1=O ZINC000286981251 219256218 /nfs/dbraw/zinc/25/62/18/219256218.db2.gz SHEWZSRYYRSWIJ-ZETCQYMHSA-N -1 3 321.761 0.773 10 0 DCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@H]1C ZINC000173123642 237156402 /nfs/dbraw/zinc/15/64/02/237156402.db2.gz GDHCLAPJZVEZKD-SCZZXKLOSA-N -1 3 315.395 0.969 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCCOc2ccccc21 ZINC000270596276 283866513 /nfs/dbraw/zinc/86/65/13/283866513.db2.gz NGLFNAFRQBCIKJ-MNOVXSKESA-N -1 3 303.318 0.615 10 0 DCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282460195 217011896 /nfs/dbraw/zinc/01/18/96/217011896.db2.gz TVXHLQZRGKXTNR-SECBINFHSA-N -1 3 305.334 0.653 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1c[nH]cn1 ZINC000088759623 395707822 /nfs/dbraw/zinc/70/78/22/395707822.db2.gz VAONPFWMPMVOGS-UHFFFAOYSA-N -1 3 313.335 0.885 10 0 DCAEHM CC(C)(NC(=O)[C@@H](N)CC(=O)[O-])C(=O)OCc1ccccc1 ZINC000029397634 395698039 /nfs/dbraw/zinc/69/80/39/395698039.db2.gz HELPWALUAWJUCB-NSHDSACASA-N -1 3 308.334 0.427 10 0 DCAEHM CN(C)C[C@H]1CN(CC(=O)[N-]OCc2ccccc2)CCO1 ZINC000119410647 395870594 /nfs/dbraw/zinc/87/05/94/395870594.db2.gz IPKQBRODHBHSJH-HNNXBMFYSA-N -1 3 307.394 0.497 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)CCCS(C)(=O)=O)n[n-]1 ZINC000119802763 395875744 /nfs/dbraw/zinc/87/57/44/395875744.db2.gz ZTGBTTCUSYCKRT-UHFFFAOYSA-N -1 3 311.367 0.574 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)CCCS(C)(=O)=O)[n-]n1 ZINC000119802763 395875747 /nfs/dbraw/zinc/87/57/47/395875747.db2.gz ZTGBTTCUSYCKRT-UHFFFAOYSA-N -1 3 311.367 0.574 10 0 DCAEHM CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000119887936 395878039 /nfs/dbraw/zinc/87/80/39/395878039.db2.gz ANIZJAZKFUYKGJ-UHFFFAOYSA-N -1 3 322.818 0.432 10 0 DCAEHM O=S(=O)([N-]CCCn1ccnn1)c1ccc(F)c(F)c1 ZINC000183161982 396264097 /nfs/dbraw/zinc/26/40/97/396264097.db2.gz VAMJGQIPIKAYPJ-UHFFFAOYSA-N -1 3 302.306 0.925 10 0 DCAEHM Cn1c2cc([O-])c(NC(=O)C3(O)CCCC3)cc2n(C)c1=O ZINC000291447706 396491359 /nfs/dbraw/zinc/49/13/59/396491359.db2.gz CGCWVFFDOYPJGH-UHFFFAOYSA-N -1 3 305.334 0.826 10 0 DCAEHM CC(=O)Oc1ccc(CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000373848843 396617969 /nfs/dbraw/zinc/61/79/69/396617969.db2.gz DORALLVUQFDSRY-INIZCTEOSA-N -1 3 317.345 0.786 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000630571323 397048408 /nfs/dbraw/zinc/04/84/08/397048408.db2.gz MCRLCBLOJVSLSJ-KBPBESRZSA-N -1 3 305.378 0.521 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000630571262 397048468 /nfs/dbraw/zinc/04/84/68/397048468.db2.gz LGBKOLMTAGZKPA-CABCVRRESA-N -1 3 319.405 0.769 10 0 DCAEHM CC[C@H]([N-]S(=O)(=O)C[C@H]1CNCCO1)c1nccs1 ZINC000382380931 397274356 /nfs/dbraw/zinc/27/43/56/397274356.db2.gz RHDAGSGHICJSPJ-ZJUUUORDSA-N -1 3 305.425 0.502 10 0 DCAEHM COCC(COC)S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)(C)C ZINC000603286304 397593113 /nfs/dbraw/zinc/59/31/13/397593113.db2.gz ZVIMLTCFQYAWFQ-VIFPVBQESA-N -1 3 311.400 0.297 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@@H](C)C(=O)N2CCCCC2)cn1C ZINC000066100941 158034476 /nfs/dbraw/zinc/03/44/76/158034476.db2.gz PSNBPONVHCEIBL-JTQLQIEISA-N -1 3 314.411 0.408 10 0 DCAEHM NC(=O)C[C@H](N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000094573753 158122870 /nfs/dbraw/zinc/12/28/70/158122870.db2.gz IKYNYHAKIUCOBG-LURJTMIESA-N -1 3 302.128 0.296 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@H](O)C1 ZINC000133403180 158319473 /nfs/dbraw/zinc/31/94/73/158319473.db2.gz GHNWNVQXABOAGY-AAEUAGOBSA-N -1 3 304.346 0.590 10 0 DCAEHM CC(=O)[C@H](C)CCCCC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000330547734 159190557 /nfs/dbraw/zinc/19/05/57/159190557.db2.gz ZVCLUBCYPQIVAS-ZYHUDNBSSA-N -1 3 309.366 0.535 10 0 DCAEHM CC1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000408166227 160051291 /nfs/dbraw/zinc/05/12/91/160051291.db2.gz QABANSVQMBYIGM-UHFFFAOYSA-N -1 3 302.128 0.190 10 0 DCAEHM Cc1noc([C@H](C)[N-]S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)n1 ZINC000408233908 160065232 /nfs/dbraw/zinc/06/52/32/160065232.db2.gz BXTIZMIBFJHICB-HLTSFMKQSA-N -1 3 304.372 0.383 10 0 DCAEHM Cc1cnc(C(=O)N2CCN(c3nccn3C)CC2)c([O-])c1 ZINC000408373364 160094566 /nfs/dbraw/zinc/09/45/66/160094566.db2.gz LCDFSSQJFMKHLO-UHFFFAOYSA-N -1 3 301.350 0.792 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@H]1C)[C@@H]1CCCO1 ZINC000408394218 160099498 /nfs/dbraw/zinc/09/94/98/160099498.db2.gz OIQPRMWVSIEXNJ-VOAKCMCISA-N -1 3 322.427 0.124 10 0 DCAEHM CN(C)[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccs1 ZINC000153240057 287048510 /nfs/dbraw/zinc/04/85/10/287048510.db2.gz YMAFAOQOLRPAHK-DTWKUNHWSA-N -1 3 310.379 0.065 10 0 DCAEHM Cc1nc(C)c(CCC(=O)N2CC(=O)N(C)[C@H](C)C2)c(=O)[n-]1 ZINC000282193022 287136628 /nfs/dbraw/zinc/13/66/28/287136628.db2.gz MNOVZKKQKVGWIU-SECBINFHSA-N -1 3 306.366 0.421 10 0 DCAEHM CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C1=O ZINC000333412398 415641795 /nfs/dbraw/zinc/64/17/95/415641795.db2.gz KINORZOUAWFCRB-MXWKQRLJSA-N -1 3 318.395 0.009 10 0 DCAEHM Cc1noc([C@@H]2COCCN2C(=O)c2ccc3n[n-]nc3c2)n1 ZINC000121134911 415794733 /nfs/dbraw/zinc/79/47/33/415794733.db2.gz SGTFYZBYWWFEMY-LBPRGKRZSA-N -1 3 314.305 0.863 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@@H]2CN(C(C)C)C[C@@H]2C)cn1C ZINC000174002802 416072014 /nfs/dbraw/zinc/07/20/14/416072014.db2.gz MOFGLRAOQIGIMY-CMPLNLGQSA-N -1 3 300.428 0.736 10 0 DCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000356939984 416009466 /nfs/dbraw/zinc/00/94/66/416009466.db2.gz SQMGMJFAGPGVRY-UKRRQHHQSA-N -1 3 319.361 0.506 10 0 DCAEHM CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(O)cc1[O-])CC2 ZINC000182451049 416223462 /nfs/dbraw/zinc/22/34/62/416223462.db2.gz IYSDKCXHFNFMIO-VIFPVBQESA-N -1 3 302.334 0.997 10 0 DCAEHM CCc1cc2c(CN3C[C@H](O)C[C@@H]3CO)cc(=O)oc2cc1[O-] ZINC000185176758 416254852 /nfs/dbraw/zinc/25/48/52/416254852.db2.gz XYEHFOOQDMFNEE-CHWSQXEVSA-N -1 3 319.357 0.989 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(C)OCCCO1 ZINC000192222691 416301771 /nfs/dbraw/zinc/30/17/71/416301771.db2.gz SRQUFAFLRUOURO-UHFFFAOYSA-N -1 3 323.802 0.813 10 0 DCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H]1CC[S@@](=O)C1)c2=O ZINC000359445383 416345915 /nfs/dbraw/zinc/34/59/15/416345915.db2.gz XAFXNKZUAILGPP-PVBMHHQDSA-N -1 3 320.370 0.788 10 0 DCAEHM Cc1ccc([O-])c(CN[C@H]2CCN(c3ccn(C)n3)C2=O)n1 ZINC000360092618 416370237 /nfs/dbraw/zinc/37/02/37/416370237.db2.gz KMHJEAKONLWOKH-NSHDSACASA-N -1 3 301.350 0.724 10 0 DCAEHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1cccc([O-])c1 ZINC000540964628 416601075 /nfs/dbraw/zinc/60/10/75/416601075.db2.gz DJMUYBOOMXZAMN-WCQYABFASA-N -1 3 321.329 0.959 10 0 DCAEHM CCOC(=O)CCCS(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000443141610 416734084 /nfs/dbraw/zinc/73/40/84/416734084.db2.gz GBDAPJUIHJBOKV-ZETCQYMHSA-N -1 3 307.290 0.172 10 0 DCAEHM CCc1nc(C(C)(C)[N-]S(=O)(=O)CCOCCOC)no1 ZINC000443162014 416734252 /nfs/dbraw/zinc/73/42/52/416734252.db2.gz XIHFAQYLPWHRJR-UHFFFAOYSA-N -1 3 321.399 0.450 10 0 DCAEHM CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000524580192 417111180 /nfs/dbraw/zinc/11/11/80/417111180.db2.gz NLFUJYYSQUOPCO-JTQLQIEISA-N -1 3 309.322 0.042 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C[C@H](C)[S@@]1=O ZINC000407990525 417134545 /nfs/dbraw/zinc/13/45/45/417134545.db2.gz LQTBFTGUYYUQAG-APJWKNSMSA-N -1 3 312.395 0.230 10 0 DCAEHM CCOC(=O)[C@H]1CN(C(=O)c2ccc(O)cc2[O-])CC12COC2 ZINC000452614777 417492968 /nfs/dbraw/zinc/49/29/68/417492968.db2.gz QITJDZHRFHWSQM-GFCCVEGCSA-N -1 3 321.329 0.750 10 0 DCAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCN2CCOC[C@@H]2C1 ZINC000363965192 262137857 /nfs/dbraw/zinc/13/78/57/262137857.db2.gz DZDHKACIJSKTPV-LBPRGKRZSA-N -1 3 309.341 0.757 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000487375034 272041064 /nfs/dbraw/zinc/04/10/64/272041064.db2.gz YOTHPPYNZCEXQP-IUCAKERBSA-N -1 3 318.351 0.014 10 0 DCAEHM Cc1nnc2n1C[C@H](CNC(=O)NCc1ncccc1[O-])CC2 ZINC000527453487 287693433 /nfs/dbraw/zinc/69/34/33/287693433.db2.gz FMTYYZBRQHMKMA-NSHDSACASA-N -1 3 316.365 0.749 10 0 DCAEHM O=C(N[C@H]1CCCC(F)(F)C1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000546143668 288016323 /nfs/dbraw/zinc/01/63/23/288016323.db2.gz WJMOBELUDAZEDH-IUCAKERBSA-N -1 3 316.308 0.510 10 0 DCAEHM CCc1nc2n(n1)C[C@H](NC(=O)c1cccc3nn[n-]c31)CC2 ZINC000187995618 333008849 /nfs/dbraw/zinc/00/88/49/333008849.db2.gz HNFBEBPBFWMITA-SECBINFHSA-N -1 3 311.349 0.857 10 0 DCAEHM CCc1nc2n(n1)C[C@H](NC(=O)c1cccc3[n-]nnc31)CC2 ZINC000187995618 333008851 /nfs/dbraw/zinc/00/88/51/333008851.db2.gz HNFBEBPBFWMITA-SECBINFHSA-N -1 3 311.349 0.857 10 0 DCAEHM CCc1nc2n(n1)C[C@H](NC(=O)c1cccc3n[n-]nc31)CC2 ZINC000187995618 333008853 /nfs/dbraw/zinc/00/88/53/333008853.db2.gz HNFBEBPBFWMITA-SECBINFHSA-N -1 3 311.349 0.857 10 0 DCAEHM CN(CC1(CO)CC1)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000189135785 522595145 /nfs/dbraw/zinc/59/51/45/522595145.db2.gz LSOAPZXBIYTOCW-UHFFFAOYSA-N -1 3 318.420 0.257 10 0 DCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)[C@H](C)CO)c([O-])c1 ZINC000126849182 526160666 /nfs/dbraw/zinc/16/06/66/526160666.db2.gz FTMQDYCGNWGSIH-VXGBXAGGSA-N -1 3 308.378 0.954 10 0 DCAEHM O=c1[n-]c(=O)n(C[C@H]2CCOC2)cc1I ZINC000307107698 546021749 /nfs/dbraw/zinc/02/17/49/546021749.db2.gz ZLZCJFKSENNXTJ-ZCFIWIBFSA-N -1 3 322.102 0.590 10 0 DCAEHM Cc1cccc(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(C)C2)c1F ZINC000681820960 548299500 /nfs/dbraw/zinc/29/95/00/548299500.db2.gz LWISYGKKYVMRIG-JTQLQIEISA-N -1 3 300.355 0.891 10 0 DCAEHM COc1ncc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CO)s1 ZINC000311756345 659359353 /nfs/dbraw/zinc/35/93/53/659359353.db2.gz VTRZKKXLJYHIFS-IUCAKERBSA-N -1 3 306.409 0.981 10 0 DCAEHM NC(=O)c1coc(CNC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000189364205 659362934 /nfs/dbraw/zinc/36/29/34/659362934.db2.gz VLHBVPMXHXSCEY-NTUHNPAUSA-N -1 3 311.297 0.779 10 0 DCAEHM CC(C)[C@@H](OC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)N(C)C ZINC000729711947 662907612 /nfs/dbraw/zinc/90/76/12/662907612.db2.gz AXMDOVMERDKACZ-CQSZACIVSA-N -1 3 322.361 0.778 10 0 DCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)[C@H](C)O ZINC000344957662 663081562 /nfs/dbraw/zinc/08/15/62/663081562.db2.gz UCFZUVGSHWWCNF-SFYZADRCSA-N -1 3 305.327 0.660 10 0 DCAEHM CCNC(=O)N1CC[C@@H](NC(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000436587578 663510519 /nfs/dbraw/zinc/51/05/19/663510519.db2.gz PMCXCWOIZZGNRL-SECBINFHSA-N -1 3 321.333 0.655 10 0 DCAEHM COc1ccc(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)c([O-])c1 ZINC000909158385 663782544 /nfs/dbraw/zinc/78/25/44/663782544.db2.gz BRSLEZYVEAUQDL-MRVWCRGKSA-N -1 3 303.318 0.702 10 0 DCAEHM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000071188959 666026711 /nfs/dbraw/zinc/02/67/11/666026711.db2.gz HAOZXEITHVTAST-JTQLQIEISA-N -1 3 316.379 0.858 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)CC2(C)OCCO2)nn1 ZINC000715951964 670226388 /nfs/dbraw/zinc/22/63/88/670226388.db2.gz PTUGKEICPHPHDZ-JTQLQIEISA-N -1 3 315.395 0.853 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(C)COC2)ccc1F ZINC000177477596 685146798 /nfs/dbraw/zinc/14/67/98/685146798.db2.gz SOORHHCIAYFWFR-UHFFFAOYSA-N -1 3 316.354 0.500 10 0 DCAEHM O=C(CCCn1ccnc1)NCCNC(=O)c1ccccc1[O-] ZINC000155921105 1180556271 /nfs/dbraw/zinc/55/62/71/1180556271.db2.gz LTMPHCLJBTYGTH-UHFFFAOYSA-N -1 3 316.361 0.915 10 0 DCAEHM CNc1cc(N2CCC[C@H]2CNC(=O)c2c[n-]nn2)ncn1 ZINC000173410822 198212571 /nfs/dbraw/zinc/21/25/71/198212571.db2.gz BGXCROJILVMWAM-VIFPVBQESA-N -1 3 302.342 0.035 10 0 DCAEHM CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn[n-]2)ncn1 ZINC000173410822 198212572 /nfs/dbraw/zinc/21/25/72/198212572.db2.gz BGXCROJILVMWAM-VIFPVBQESA-N -1 3 302.342 0.035 10 0 DCAEHM CNc1cc(N2CCC[C@H]2CNC(=O)c2cn[n-]n2)ncn1 ZINC000173410822 198212573 /nfs/dbraw/zinc/21/25/73/198212573.db2.gz BGXCROJILVMWAM-VIFPVBQESA-N -1 3 302.342 0.035 10 0 DCAEHM Cc1csc([C@H](NC(=O)CN2CC(=O)[N-]C2=O)C2CC2)n1 ZINC000173986432 198277460 /nfs/dbraw/zinc/27/74/60/198277460.db2.gz XQUFQTPDZVCVOA-LLVKDONJSA-N -1 3 308.363 0.571 10 0 DCAEHM CCC(CC)c1cc(CNC(=O)CN2CC(=O)[N-]C2=O)on1 ZINC000174039014 198284356 /nfs/dbraw/zinc/28/43/56/198284356.db2.gz GGXCGDITOFZSJR-UHFFFAOYSA-N -1 3 308.338 0.746 10 0 DCAEHM COc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[n-]1 ZINC000179363029 199021782 /nfs/dbraw/zinc/02/17/82/199021782.db2.gz ZONLLSWMNKETOK-MRVPVSSYSA-N -1 3 305.294 0.394 10 0 DCAEHM COc1nc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n[n-]1 ZINC000179363029 199021784 /nfs/dbraw/zinc/02/17/84/199021784.db2.gz ZONLLSWMNKETOK-MRVPVSSYSA-N -1 3 305.294 0.394 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1 ZINC000179363029 199021785 /nfs/dbraw/zinc/02/17/85/199021785.db2.gz ZONLLSWMNKETOK-MRVPVSSYSA-N -1 3 305.294 0.394 10 0 DCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](O)CN1CCCCC1 ZINC000158922105 237072215 /nfs/dbraw/zinc/07/22/15/237072215.db2.gz ATRFDTFTDWLFEU-LBPRGKRZSA-N -1 3 317.411 0.417 10 0 DCAEHM CCC(=O)Oc1cccc(C(=O)Nc2c[nH]c(=O)[n-]c2=O)c1 ZINC000006755754 181384104 /nfs/dbraw/zinc/38/41/04/181384104.db2.gz BWRDLPDXUOCYOE-UHFFFAOYSA-N -1 3 303.274 0.631 10 0 DCAEHM CC(C)N(CCc1nccs1)C(=O)CN1CC(=O)[N-]C1=O ZINC000132819098 545794411 /nfs/dbraw/zinc/79/44/11/545794411.db2.gz FIGJSLNUEVEHMT-UHFFFAOYSA-N -1 3 310.379 0.474 10 0 DCAEHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000035177079 395719488 /nfs/dbraw/zinc/71/94/88/395719488.db2.gz ABFWKTQLDXUCQT-TUAOUCFPSA-N -1 3 322.427 0.518 10 0 DCAEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCNC2=O)c(F)cc1F ZINC000084674140 395698304 /nfs/dbraw/zinc/69/83/04/395698304.db2.gz WGJFLYXFTXJBLP-JTQLQIEISA-N -1 3 304.318 0.830 10 0 DCAEHM Cc1cccc2[nH]cc(CCNC(=O)CN3CC(=O)[N-]C3=O)c21 ZINC000111607534 395810699 /nfs/dbraw/zinc/81/06/99/395810699.db2.gz PYIWFHIRJOCXQN-UHFFFAOYSA-N -1 3 314.345 0.687 10 0 DCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]CC(=O)Nc1cccc(F)c1 ZINC000184412701 396294571 /nfs/dbraw/zinc/29/45/71/396294571.db2.gz FNICRAFEXQJRAL-CABZTGNLSA-N -1 3 316.354 0.861 10 0 DCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C)s1 ZINC000287689534 396416377 /nfs/dbraw/zinc/41/63/77/396416377.db2.gz FDNQHDGISYEZQX-XPUUQOCRSA-N -1 3 305.381 0.557 10 0 DCAEHM CC(=O)Oc1ccc(CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000373848844 396617873 /nfs/dbraw/zinc/61/78/73/396617873.db2.gz DORALLVUQFDSRY-MRXNPFEDSA-N -1 3 317.345 0.786 10 0 DCAEHM Cc1cc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)[n-]c(=O)n1 ZINC000328633931 396826621 /nfs/dbraw/zinc/82/66/21/396826621.db2.gz SWNLUOAJJGJYFX-NSHDSACASA-N -1 3 302.338 0.343 10 0 DCAEHM CC[C@@H]([N-]S(=O)(=O)C[C@H]1CNCCO1)c1nccs1 ZINC000382380925 397273716 /nfs/dbraw/zinc/27/37/16/397273716.db2.gz RHDAGSGHICJSPJ-NXEZZACHSA-N -1 3 305.425 0.502 10 0 DCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCNC(=O)CC2)cc1 ZINC000059883647 158027293 /nfs/dbraw/zinc/02/72/93/158027293.db2.gz IRTKKXTUXGLLGU-UHFFFAOYSA-N -1 3 311.363 0.020 10 0 DCAEHM CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc3n[n-]nc3c1)CC2 ZINC000114872262 158159118 /nfs/dbraw/zinc/15/91/18/158159118.db2.gz MEXBONPQLKTVAD-JTQLQIEISA-N -1 3 311.349 0.857 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H](C)C(C)C)cn1C ZINC000120605472 158200932 /nfs/dbraw/zinc/20/09/32/158200932.db2.gz YDJMEBZMESOQKS-JTQLQIEISA-N -1 3 316.427 0.558 10 0 DCAEHM CN(C)c1ncc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cn1 ZINC000133910206 158323415 /nfs/dbraw/zinc/32/34/15/158323415.db2.gz FBBUXNXHEFARKM-NSHDSACASA-N -1 3 300.384 0.853 10 0 DCAEHM Cc1cccc([C@H]2CCCN2C(=O)CN2CC(=O)[N-]C2=O)n1 ZINC000167259309 158368453 /nfs/dbraw/zinc/36/84/53/158368453.db2.gz LJKBSWKIPUMHIN-GFCCVEGCSA-N -1 3 302.334 0.605 10 0 DCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@@H]1c1ccncc1 ZINC000043804011 286885914 /nfs/dbraw/zinc/88/59/14/286885914.db2.gz FFFSFZFNJNJSIT-NWDGAFQWSA-N -1 3 302.334 0.733 10 0 DCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000248863243 287102398 /nfs/dbraw/zinc/10/23/98/287102398.db2.gz ALNXLHLEJIVXBY-KPXOXKRLSA-N -1 3 316.354 0.449 10 0 DCAEHM C[C@@H]1CN(C(=O)/C=C\c2cncc([O-])c2)C[C@@H]1N1CCOCC1 ZINC000255673772 287126408 /nfs/dbraw/zinc/12/64/08/287126408.db2.gz HVVSNXYFOJPSQA-RWWVYYKTSA-N -1 3 317.389 0.980 10 0 DCAEHM CCN1CCN(c2ccc(C(=O)Nc3nnn[n-]3)cc2F)CC1 ZINC000076964054 415456580 /nfs/dbraw/zinc/45/65/80/415456580.db2.gz SHLIYIFVSOVWNA-UHFFFAOYSA-N -1 3 319.344 0.733 10 0 DCAEHM CCN1CCN(c2ccc(C(=O)Nc3nn[n-]n3)cc2F)CC1 ZINC000076964054 415456586 /nfs/dbraw/zinc/45/65/86/415456586.db2.gz SHLIYIFVSOVWNA-UHFFFAOYSA-N -1 3 319.344 0.733 10 0 DCAEHM CSCCC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000133191859 415944572 /nfs/dbraw/zinc/94/45/72/415944572.db2.gz QKRRYTQZIAEDDO-UHFFFAOYSA-N -1 3 308.450 0.896 10 0 DCAEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000153325667 415978665 /nfs/dbraw/zinc/97/86/65/415978665.db2.gz XPEZDAWDOIJTTE-KCJUWKMLSA-N -1 3 321.381 0.722 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(N)=O)C2)cn1C ZINC000172610960 416047847 /nfs/dbraw/zinc/04/78/47/416047847.db2.gz TXLFMOSMSYCMAH-VHSXEESVSA-N -1 3 300.384 0.051 10 0 DCAEHM COc1cccc(C(=O)N2CCNC[C@H]2c2cnn(C)c2)c1[O-] ZINC000181455960 416207505 /nfs/dbraw/zinc/20/75/05/416207505.db2.gz KOFGLIBDAJHUBJ-ZDUSSCGKSA-N -1 3 316.361 0.921 10 0 DCAEHM COc1nnc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)[n-]1 ZINC000183001835 416235035 /nfs/dbraw/zinc/23/50/35/416235035.db2.gz QTCNLGKWGVTYII-UHFFFAOYSA-N -1 3 314.309 0.414 10 0 DCAEHM COc1nc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)n[n-]1 ZINC000183001835 416235041 /nfs/dbraw/zinc/23/50/41/416235041.db2.gz QTCNLGKWGVTYII-UHFFFAOYSA-N -1 3 314.309 0.414 10 0 DCAEHM COc1n[n-]c(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)n1 ZINC000183001835 416235044 /nfs/dbraw/zinc/23/50/44/416235044.db2.gz QTCNLGKWGVTYII-UHFFFAOYSA-N -1 3 314.309 0.414 10 0 DCAEHM Cc1ccc([O-])c(CN[C@@H]2CCN(c3ccn(C)n3)C2=O)n1 ZINC000360092617 416369812 /nfs/dbraw/zinc/36/98/12/416369812.db2.gz KMHJEAKONLWOKH-LLVKDONJSA-N -1 3 301.350 0.724 10 0 DCAEHM COc1ccc(F)c(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000538714456 416573327 /nfs/dbraw/zinc/57/33/27/416573327.db2.gz SALFHNAIVWLDJG-NSHDSACASA-N -1 3 322.296 0.602 10 0 DCAEHM Cc1nc(C)c(CC(=O)NC[C@H](C)N2CCCCC2=O)c(=O)[n-]1 ZINC000526016927 417174063 /nfs/dbraw/zinc/17/40/63/417174063.db2.gz VOTPWTKWAMXGAI-JTQLQIEISA-N -1 3 320.393 0.859 10 0 DCAEHM CCOc1nc2cc(C(=O)N3CC[C@@H](NC(N)=O)C3)ccc2[n-]1 ZINC000450302583 417216613 /nfs/dbraw/zinc/21/66/13/417216613.db2.gz WQQLEXULWMEPFO-SNVBAGLBSA-N -1 3 317.349 0.844 10 0 DCAEHM CCOc1nc2ccc(C(=O)N3CC[C@@H](NC(N)=O)C3)cc2[n-]1 ZINC000450302583 417216622 /nfs/dbraw/zinc/21/66/22/417216622.db2.gz WQQLEXULWMEPFO-SNVBAGLBSA-N -1 3 317.349 0.844 10 0 DCAEHM O=C([O-])[C@H](C1CC1)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000635015992 417555728 /nfs/dbraw/zinc/55/57/28/417555728.db2.gz JVWPUUSFKSEPHW-INIZCTEOSA-N -1 3 323.437 0.916 10 0 DCAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000532134566 417663497 /nfs/dbraw/zinc/66/34/97/417663497.db2.gz HZDUXRSDXDGIGG-JTQLQIEISA-N -1 3 321.362 0.164 10 0 DCAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000532134566 417663502 /nfs/dbraw/zinc/66/35/02/417663502.db2.gz HZDUXRSDXDGIGG-JTQLQIEISA-N -1 3 321.362 0.164 10 0 DCAEHM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000111613205 261108442 /nfs/dbraw/zinc/10/84/42/261108442.db2.gz XUWVMHGCMNFOKZ-LLVKDONJSA-N -1 3 319.365 0.252 10 0 DCAEHM NC(=O)c1ncccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000358547128 271056458 /nfs/dbraw/zinc/05/64/58/271056458.db2.gz LMBPQQFYCQSFSV-UHFFFAOYSA-N -1 3 323.316 0.537 10 0 DCAEHM NC(=O)c1ncccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000358547128 271056461 /nfs/dbraw/zinc/05/64/61/271056461.db2.gz LMBPQQFYCQSFSV-UHFFFAOYSA-N -1 3 323.316 0.537 10 0 DCAEHM C[C@H]1CCCN1S(=O)(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000358640468 271059395 /nfs/dbraw/zinc/05/93/95/271059395.db2.gz MXHIBRYLHPIUQP-LURJTMIESA-N -1 3 313.305 0.642 10 0 DCAEHM C[C@H]1CCCN1S(=O)(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000358640468 271059398 /nfs/dbraw/zinc/05/93/98/271059398.db2.gz MXHIBRYLHPIUQP-LURJTMIESA-N -1 3 313.305 0.642 10 0 DCAEHM C[C@H]1CCCN1S(=O)(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000358640468 271059403 /nfs/dbraw/zinc/05/94/03/271059403.db2.gz MXHIBRYLHPIUQP-LURJTMIESA-N -1 3 313.305 0.642 10 0 DCAEHM NS(=O)(=O)c1cccc(-c2ccc(=O)[nH]c2)c1-c1nnn[n-]1 ZINC000584596501 337374240 /nfs/dbraw/zinc/37/42/40/337374240.db2.gz IKFVZDHIEIWFHK-UHFFFAOYSA-N -1 3 318.318 0.282 10 0 DCAEHM C[C@](O)(Cn1ccccc1=O)C(=O)[N-]c1nncn1C1CC1 ZINC000580590501 341882791 /nfs/dbraw/zinc/88/27/91/341882791.db2.gz DWKDTRPSNFSJNL-AWEZNQCLSA-N -1 3 303.322 0.164 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](C)CO)c(C)o1 ZINC000132049220 522268940 /nfs/dbraw/zinc/26/89/40/522268940.db2.gz WFPRBUKNPYCAIN-SFYZADRCSA-N -1 3 304.368 0.243 10 0 DCAEHM CCc1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c([O-])c1 ZINC000191683510 523886817 /nfs/dbraw/zinc/88/68/17/523886817.db2.gz MQZNWMJDPMCDNM-NSHDSACASA-N -1 3 312.391 0.718 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000156318186 527139139 /nfs/dbraw/zinc/13/91/39/527139139.db2.gz VGXUXGNOJPVXAN-AXFHLTTASA-N -1 3 307.737 0.910 10 0 DCAEHM CO[C@@]1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CCOC1 ZINC000530453567 546288477 /nfs/dbraw/zinc/28/84/77/546288477.db2.gz XWVIKKDHZBPWQH-AWEZNQCLSA-N -1 3 303.322 0.535 10 0 DCAEHM CO[C@@]1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CCOC1 ZINC000530453567 546288481 /nfs/dbraw/zinc/28/84/81/546288481.db2.gz XWVIKKDHZBPWQH-AWEZNQCLSA-N -1 3 303.322 0.535 10 0 DCAEHM N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000034051975 571749682 /nfs/dbraw/zinc/74/96/82/571749682.db2.gz OHUXOEXBXPZKPT-STQMWFEESA-N -1 3 302.334 0.092 10 0 endogenous,in-man DCAEHM N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000034051975 571749689 /nfs/dbraw/zinc/74/96/89/571749689.db2.gz OHUXOEXBXPZKPT-STQMWFEESA-N -1 3 302.334 0.092 10 0 endogenous,in-man DCAEHM CN(C)c1nc([C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)cc(=O)[n-]1 ZINC000888095369 661166185 /nfs/dbraw/zinc/16/61/85/661166185.db2.gz YZESPMGQMNYJJS-JTQLQIEISA-N -1 3 316.365 0.530 10 0 DCAEHM CC[C@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)C(=O)[O-] ZINC000702400913 666954591 /nfs/dbraw/zinc/95/45/91/666954591.db2.gz JVJHLAOLMNUJLS-KGLIPLIRSA-N -1 3 307.394 0.673 10 0 DCAEHM O=C1CC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1 ZINC000396742153 685271269 /nfs/dbraw/zinc/27/12/69/685271269.db2.gz SDRXWWQQSMXZDI-SSDOTTSWSA-N -1 3 321.761 0.821 10 0 DCAEHM CCN(CC)C[C@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689198360 954642471 /nfs/dbraw/zinc/64/24/71/954642471.db2.gz ARYYIVHXXZCISX-QWRGUYRKSA-N -1 3 307.416 0.100 10 0 DCAEHM COC[C@]1(C(=O)[O-])CCN(CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000696832616 954819449 /nfs/dbraw/zinc/81/94/49/954819449.db2.gz CQFYGLCVSRZROW-AAEUAGOBSA-N -1 3 305.396 0.234 10 0 DCAEHM CCC1=C(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CCCO1 ZINC000373833580 282532876 /nfs/dbraw/zinc/53/28/76/282532876.db2.gz VNWAAQJVQRAIRI-OAHLLOKOSA-N -1 3 307.350 0.662 10 0 DCAEHM Cc1c2c(cc(=O)n1CCN(C)C)[n-]n(-c1ncccn1)c2=O ZINC000072446230 191168473 /nfs/dbraw/zinc/16/84/73/191168473.db2.gz FNBSJWGBFJPJCT-UHFFFAOYSA-N -1 3 314.349 0.141 10 0 DCAEHM CN1CCCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)c2ccccc21 ZINC000180208775 199130290 /nfs/dbraw/zinc/13/02/90/199130290.db2.gz UZDOFKIJXRNDAA-JTQLQIEISA-N -1 3 302.334 0.458 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(=O)[C@@H](C)C2)c(C)o1 ZINC000275310766 212264829 /nfs/dbraw/zinc/26/48/29/212264829.db2.gz YNKWUBSHCFNJBB-QMMMGPOBSA-N -1 3 314.363 0.547 10 0 DCAEHM NC(=S)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000061886683 184192193 /nfs/dbraw/zinc/19/21/93/184192193.db2.gz YBYFXUCAXHUPLC-UWVGGRQHSA-N -1 3 303.384 0.954 10 0 DCAEHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000066098920 184388990 /nfs/dbraw/zinc/38/89/90/184388990.db2.gz LDLLCVJOJWWPEM-UHFFFAOYSA-N -1 3 311.411 0.600 10 0 DCAEHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000035177082 395719430 /nfs/dbraw/zinc/71/94/30/395719430.db2.gz ABFWKTQLDXUCQT-UTUOFQBUSA-N -1 3 322.427 0.518 10 0 DCAEHM O=C1N[C@H](c2cc([O-])ccc2Br)N2CCOC[C@@H]12 ZINC000093884237 395739362 /nfs/dbraw/zinc/73/93/62/395739362.db2.gz NAGJCHFOPVPFPF-QWRGUYRKSA-N -1 3 313.151 0.984 10 0 DCAEHM C[C@H]1CCCN(S(=O)(=O)[N-]CC(=O)Nc2cccnc2)C1 ZINC000101580889 395765608 /nfs/dbraw/zinc/76/56/08/395765608.db2.gz QPCBJRHOTOXBKM-NSHDSACASA-N -1 3 312.395 0.586 10 0 DCAEHM Cn1cc([C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)cn1 ZINC000116466427 395844045 /nfs/dbraw/zinc/84/40/45/395844045.db2.gz IJVWJGJIIKGTMZ-LLVKDONJSA-N -1 3 324.340 0.933 10 0 DCAEHM COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)[O-] ZINC000224334375 395857901 /nfs/dbraw/zinc/85/79/01/395857901.db2.gz IXMYOFVXZDUQBH-NEPJUHHUSA-N -1 3 308.334 0.079 10 0 DCAEHM Cc1ccc(C[C@@H](C)N(C)C(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000129924150 395921230 /nfs/dbraw/zinc/92/12/30/395921230.db2.gz ZJDVKEXHDKDCNL-GFCCVEGCSA-N -1 3 303.362 0.936 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000246638476 395955319 /nfs/dbraw/zinc/95/53/19/395955319.db2.gz OQAPFFUCJQUCTL-JSGCOSHPSA-N -1 3 306.410 0.897 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000154337356 396036751 /nfs/dbraw/zinc/03/67/51/396036751.db2.gz MBWDFQOIVGDLBQ-YPMHNXCESA-N -1 3 316.361 0.227 10 0 DCAEHM CC(C)(C)c1csc(CCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000155604098 396055085 /nfs/dbraw/zinc/05/50/85/396055085.db2.gz KBPICCZMLSRBJX-QMMMGPOBSA-N -1 3 324.406 0.697 10 0 DCAEHM CO[C@@H](C)Cn1cc(I)c(=O)[n-]c1=O ZINC000167756565 396089342 /nfs/dbraw/zinc/08/93/42/396089342.db2.gz FZEBIKHIEOGVOE-YFKPBYRVSA-N -1 3 310.091 0.176 10 0 DCAEHM Cc1ccc(C[C@@H](N)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000169319112 396090107 /nfs/dbraw/zinc/09/01/07/396090107.db2.gz KECAWAXFNFZHBY-ILXRZTDVSA-N -1 3 322.405 0.841 10 0 DCAEHM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)N)c1 ZINC000262624716 396163545 /nfs/dbraw/zinc/16/35/45/396163545.db2.gz DEIINDYQTAAUMJ-SECBINFHSA-N -1 3 315.395 0.708 10 0 DCAEHM CSc1ccc(C(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000083856312 396317233 /nfs/dbraw/zinc/31/72/33/396317233.db2.gz VRLKAFQGTGFDAO-CQSZACIVSA-N -1 3 305.359 0.833 10 0 DCAEHM NC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCO1 ZINC000185698773 396333354 /nfs/dbraw/zinc/33/33/54/396333354.db2.gz LDJRNXZJZYASBH-ZDUSSCGKSA-N -1 3 304.346 0.597 10 0 DCAEHM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CNCC[C@@H]2C)c1 ZINC000193404018 396450941 /nfs/dbraw/zinc/45/09/41/396450941.db2.gz UOAYEEHSEKNKAU-WPRPVWTQSA-N -1 3 302.352 0.343 10 0 DCAEHM O=C(/C=C/c1cncc([O-])c1)N1CCN([C@@H]2CCOC2)CC1 ZINC000371559160 396470841 /nfs/dbraw/zinc/47/08/41/396470841.db2.gz FRYUEWLCUXUWDD-VSZDKKFSSA-N -1 3 303.362 0.734 10 0 DCAEHM C[C@H]1[C@@H](NS(=O)(=O)c2ccc([O-])cc2)CCS1(=O)=O ZINC000312038375 396762938 /nfs/dbraw/zinc/76/29/38/396762938.db2.gz PVFBXWFNKGIZIT-KWQFWETISA-N -1 3 305.377 0.246 10 0 DCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000563687091 396769155 /nfs/dbraw/zinc/76/91/55/396769155.db2.gz LCSYDZIFGZHIBZ-SNVBAGLBSA-N -1 3 308.338 0.702 10 0 DCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000563687091 396769158 /nfs/dbraw/zinc/76/91/58/396769158.db2.gz LCSYDZIFGZHIBZ-SNVBAGLBSA-N -1 3 308.338 0.702 10 0 DCAEHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2cn(C)nn2)c1 ZINC000611935502 396951370 /nfs/dbraw/zinc/95/13/70/396951370.db2.gz VFPMWEWCCXIDKA-UHFFFAOYSA-N -1 3 316.364 0.142 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1[O-] ZINC000614191025 397395584 /nfs/dbraw/zinc/39/55/84/397395584.db2.gz XLVDWBPSVGJEMC-INIZCTEOSA-N -1 3 302.330 0.947 10 0 DCAEHM CCOC1(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CCCC1 ZINC000376098512 285991836 /nfs/dbraw/zinc/99/18/36/285991836.db2.gz BEFOUBYIWRRCNL-AWEZNQCLSA-N -1 3 309.366 0.536 10 0 DCAEHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cnc3n2CCC3)n1 ZINC000328816767 159032511 /nfs/dbraw/zinc/03/25/11/159032511.db2.gz CXBDHBOSXKUKPZ-UHFFFAOYSA-N -1 3 311.367 0.734 10 0 DCAEHM O=c1[n-]c(C2CCN(C[C@H](O)COCC(F)(F)F)CC2)n[nH]1 ZINC000368396401 159392477 /nfs/dbraw/zinc/39/24/77/159392477.db2.gz CIIPCLUSGCURRK-VIFPVBQESA-N -1 3 324.303 0.630 10 0 DCAEHM CC(C)[C@@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CCN1C ZINC000407991906 160005573 /nfs/dbraw/zinc/00/55/73/160005573.db2.gz QAIZWROOSGDFHO-LBPRGKRZSA-N -1 3 307.398 0.660 10 0 DCAEHM C[C@H]1CN(C)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000408113355 160038722 /nfs/dbraw/zinc/03/87/22/160038722.db2.gz RTZOGDDLXZPKLC-NSHDSACASA-N -1 3 311.407 0.834 10 0 DCAEHM CCc1cnc(C[N-]S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)o1 ZINC000408334699 160086965 /nfs/dbraw/zinc/08/69/65/160086965.db2.gz BXIBCTGHTORXES-UWVGGRQHSA-N -1 3 303.384 0.681 10 0 DCAEHM C[C@H]1C[C@@H]1NC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000120835944 415787226 /nfs/dbraw/zinc/78/72/26/415787226.db2.gz YCQQGMHNGSSGRB-IUCAKERBSA-N -1 3 303.409 0.734 10 0 DCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000125503194 415868989 /nfs/dbraw/zinc/86/89/89/415868989.db2.gz SPJOIRKWTRRVBA-UHFFFAOYSA-N -1 3 311.305 0.556 10 0 DCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000125503194 415868993 /nfs/dbraw/zinc/86/89/93/415868993.db2.gz SPJOIRKWTRRVBA-UHFFFAOYSA-N -1 3 311.305 0.556 10 0 DCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000125503194 415869000 /nfs/dbraw/zinc/86/90/00/415869000.db2.gz SPJOIRKWTRRVBA-UHFFFAOYSA-N -1 3 311.305 0.556 10 0 DCAEHM COC[C@@H](O)C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000338423570 416095327 /nfs/dbraw/zinc/09/53/27/416095327.db2.gz MDYBMFYCKIBCHG-MJVIPROJSA-N -1 3 319.423 0.309 10 0 DCAEHM COc1nnc(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)[n-]1 ZINC000179362602 416186479 /nfs/dbraw/zinc/18/64/79/416186479.db2.gz IPDRBHBYQWWGBM-AXFHLTTASA-N -1 3 311.386 0.886 10 0 DCAEHM COc1nc(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)n[n-]1 ZINC000179362602 416186481 /nfs/dbraw/zinc/18/64/81/416186481.db2.gz IPDRBHBYQWWGBM-AXFHLTTASA-N -1 3 311.386 0.886 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000179362602 416186483 /nfs/dbraw/zinc/18/64/83/416186483.db2.gz IPDRBHBYQWWGBM-AXFHLTTASA-N -1 3 311.386 0.886 10 0 DCAEHM COc1nnc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)[n-]1 ZINC000179378687 416186518 /nfs/dbraw/zinc/18/65/18/416186518.db2.gz RFMVPFQENMOZPB-UHFFFAOYSA-N -1 3 317.284 0.845 10 0 DCAEHM COc1nc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)n[n-]1 ZINC000179378687 416186520 /nfs/dbraw/zinc/18/65/20/416186520.db2.gz RFMVPFQENMOZPB-UHFFFAOYSA-N -1 3 317.284 0.845 10 0 DCAEHM COc1n[n-]c(NC(=O)c2cn(Cc3cccc(F)c3)nn2)n1 ZINC000179378687 416186523 /nfs/dbraw/zinc/18/65/23/416186523.db2.gz RFMVPFQENMOZPB-UHFFFAOYSA-N -1 3 317.284 0.845 10 0 DCAEHM CC(C)CC[C@@](C)(O)CNC(=O)C(=O)[N-]c1cnns1 ZINC000192029028 416297010 /nfs/dbraw/zinc/29/70/10/416297010.db2.gz HCHNAAXFWAJGDX-GFCCVEGCSA-N -1 3 300.384 0.780 10 0 DCAEHM CC(=O)c1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000447761278 417027270 /nfs/dbraw/zinc/02/72/70/417027270.db2.gz UMBUGRUDVOSBCV-INIZCTEOSA-N -1 3 315.329 0.703 10 0 DCAEHM O=S(=O)([N-]CC[C@]1(O)CCOC1)c1cc(F)cc(F)c1 ZINC000404127429 417119274 /nfs/dbraw/zinc/11/92/74/417119274.db2.gz ASNJXFRQCLYYKP-LBPRGKRZSA-N -1 3 307.318 0.785 10 0 DCAEHM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000111613203 261108637 /nfs/dbraw/zinc/10/86/37/261108637.db2.gz XUWVMHGCMNFOKZ-NSHDSACASA-N -1 3 319.365 0.252 10 0 DCAEHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)c1 ZINC000188245212 261125714 /nfs/dbraw/zinc/12/57/14/261125714.db2.gz JCIPBKBCSJKMIW-UHFFFAOYSA-N -1 3 312.351 0.634 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000487375031 272040895 /nfs/dbraw/zinc/04/08/95/272040895.db2.gz YOTHPPYNZCEXQP-DTWKUNHWSA-N -1 3 318.351 0.014 10 0 DCAEHM Cc1csc([C@@H](C)NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)n1 ZINC000546141900 288016257 /nfs/dbraw/zinc/01/62/57/288016257.db2.gz DJWYRTBMUBPEMX-RKDXNWHRSA-N -1 3 323.378 0.458 10 0 DCAEHM CN(C)C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000159195490 521824556 /nfs/dbraw/zinc/82/45/56/521824556.db2.gz JJQNPCHNFWUDHA-NWDGAFQWSA-N -1 3 304.350 0.004 10 0 DCAEHM O=C(/C=C/c1cncc([O-])c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000365017655 527648642 /nfs/dbraw/zinc/64/86/42/527648642.db2.gz XBBRRFMAZKXITH-FZZYSBJUSA-N -1 3 317.389 0.858 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCc1ccnn1C ZINC000186419084 665517148 /nfs/dbraw/zinc/51/71/48/665517148.db2.gz KWYKXSPBXQHGNB-UHFFFAOYSA-N -1 3 317.802 0.636 10 0 DCAEHM CN(C)c1nc([C@@H]2CCN(C(=O)c3ncc[nH]3)C2)cc(=O)[n-]1 ZINC000864834613 667287318 /nfs/dbraw/zinc/28/73/18/667287318.db2.gz AWMCLBJVZDUSEL-SECBINFHSA-N -1 3 302.338 0.601 10 0 DCAEHM CN(C)c1nc([C@@H]2CCN(C(=O)c3cncn3C)C2)cc(=O)[n-]1 ZINC000864836027 667287786 /nfs/dbraw/zinc/28/77/86/667287786.db2.gz FAJTXQBKUNNYSC-SNVBAGLBSA-N -1 3 316.365 0.611 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCC(C)=O)ccc1F ZINC000135172295 667575715 /nfs/dbraw/zinc/57/57/15/667575715.db2.gz MYWMURXSKOBYLC-UHFFFAOYSA-N -1 3 316.354 0.785 10 0 DCAEHM O=C(Cc1cncs1)NCCNC(=O)c1ccccc1[O-] ZINC000187402968 1187490560 /nfs/dbraw/zinc/49/05/60/1187490560.db2.gz IURJBTMNBVLUHV-UHFFFAOYSA-N -1 3 305.359 0.937 10 0 DCAEHM COC[C@@]1(C(=O)[O-])CCN(CC(=O)NCc2ccccc2)C1 ZINC000381055627 1190698962 /nfs/dbraw/zinc/69/89/62/1190698962.db2.gz IKZZAIDMBQTOHL-MRXNPFEDSA-N -1 3 306.362 0.726 10 0 DCAEHM CN1CCC[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694172716 976674948 /nfs/dbraw/zinc/67/49/48/976674948.db2.gz PCVBFEHWPMKDKU-SECBINFHSA-N -1 3 302.352 0.598 10 0 DCAEHM O=C(COc1cccc(F)c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000322851445 231214098 /nfs/dbraw/zinc/21/40/98/231214098.db2.gz POGMOXQTSKWNMI-HNNXBMFYSA-N -1 3 321.308 0.405 10 0 DCAEHM C[NH+](C)CCC[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000020009200 182176733 /nfs/dbraw/zinc/17/67/33/182176733.db2.gz VSZMCVJOHKOJNU-UHFFFAOYSA-N -1 3 306.409 0.605 10 0 DCAEHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172744729 296230252 /nfs/dbraw/zinc/23/02/52/296230252.db2.gz LLTFQGSUUZBRLY-GFCCVEGCSA-N -1 3 301.350 0.505 10 0 DCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]Cc2cn[nH]c2)c(F)c1 ZINC000038007211 182960212 /nfs/dbraw/zinc/96/02/12/182960212.db2.gz JAQQSKALUSKEAD-UHFFFAOYSA-N -1 3 312.326 0.986 10 0 DCAEHM O=C(C[N-]S(=O)(=O)NC1CCCC1)N1CCc2ccccc21 ZINC000062213752 184222025 /nfs/dbraw/zinc/22/20/25/184222025.db2.gz FBFQBIXRNLMKAD-UHFFFAOYSA-N -1 3 323.418 0.942 10 0 DCAEHM Cc1ccc(C(=O)N2CCO[C@@H](CN(C)CC(=O)[O-])C2)c(F)c1 ZINC000275757408 130379973 /nfs/dbraw/zinc/37/99/73/130379973.db2.gz RHYPAHBWLNHMBL-LBPRGKRZSA-N -1 3 324.352 0.992 10 0 DCAEHM Cc1ccc(Cn2nccc2NC(=O)CN2CC(=O)[N-]C2=O)o1 ZINC000111556443 395809094 /nfs/dbraw/zinc/80/90/94/395809094.db2.gz VAIHZQDDUMEVAI-UHFFFAOYSA-N -1 3 317.305 0.323 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000111538953 395809099 /nfs/dbraw/zinc/80/90/99/395809099.db2.gz BUYPZHRNTZGNGI-NSHDSACASA-N -1 3 320.349 0.085 10 0 DCAEHM CC1(C)CN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)Cc2ccccc21 ZINC000270986501 395828288 /nfs/dbraw/zinc/82/82/88/395828288.db2.gz DMJMWXNPEZXTMB-LBPRGKRZSA-N -1 3 301.346 0.905 10 0 DCAEHM COc1nnc(NC(=O)c2cnn(C)c2Br)[n-]1 ZINC000274780756 395976247 /nfs/dbraw/zinc/97/62/47/395976247.db2.gz JPNBOTVNLWXJCP-UHFFFAOYSA-N -1 3 301.104 0.562 10 0 DCAEHM COc1nc(NC(=O)c2cnn(C)c2Br)n[n-]1 ZINC000274780756 395976249 /nfs/dbraw/zinc/97/62/49/395976249.db2.gz JPNBOTVNLWXJCP-UHFFFAOYSA-N -1 3 301.104 0.562 10 0 DCAEHM COc1n[n-]c(NC(=O)c2cnn(C)c2Br)n1 ZINC000274780756 395976252 /nfs/dbraw/zinc/97/62/52/395976252.db2.gz JPNBOTVNLWXJCP-UHFFFAOYSA-N -1 3 301.104 0.562 10 0 DCAEHM CC[C@H](C)[C@@H](N)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000262598385 396159774 /nfs/dbraw/zinc/15/97/74/396159774.db2.gz AKGVNEJOUGXZDE-NTSWFWBYSA-N -1 3 307.401 0.222 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)C[C@@H]1N1CCOCC1 ZINC000182787953 396254333 /nfs/dbraw/zinc/25/43/33/396254333.db2.gz FWZSHVKZRUPCBM-RISCZKNCSA-N -1 3 315.377 0.751 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)C[C@@H]1N1CCOCC1 ZINC000182787953 396254336 /nfs/dbraw/zinc/25/43/36/396254336.db2.gz FWZSHVKZRUPCBM-RISCZKNCSA-N -1 3 315.377 0.751 10 0 DCAEHM C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)C[C@@H]1N1CCOCC1 ZINC000182787953 396254340 /nfs/dbraw/zinc/25/43/40/396254340.db2.gz FWZSHVKZRUPCBM-RISCZKNCSA-N -1 3 315.377 0.751 10 0 DCAEHM Cc1ccc(C(=O)NCCCN2CCCS2(=O)=O)c([O-])c1 ZINC000586763153 396663840 /nfs/dbraw/zinc/66/38/40/396663840.db2.gz ZNIMGGQENSNNMJ-UHFFFAOYSA-N -1 3 312.391 0.856 10 0 DCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H](CO)c2ccccc2)nc1=N ZINC000614427399 397435906 /nfs/dbraw/zinc/43/59/06/397435906.db2.gz RAAKYJIPIYDBBT-OLZOCXBDSA-N -1 3 315.377 0.667 10 0 DCAEHM Cn1cc(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)cn1 ZINC000118969400 158180743 /nfs/dbraw/zinc/18/07/43/158180743.db2.gz XBDKLSUWLYAGRG-UHFFFAOYSA-N -1 3 302.743 0.573 10 0 DCAEHM O=C(Nc1nc[nH]n1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000122536777 158221952 /nfs/dbraw/zinc/22/19/52/158221952.db2.gz KBWCGWZCWUKUGS-JTQLQIEISA-N -1 3 301.306 0.754 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(-c2cnco2)c1 ZINC000137043048 158344091 /nfs/dbraw/zinc/34/40/91/158344091.db2.gz CXTXYVYLJXTZOG-JTQLQIEISA-N -1 3 300.274 0.878 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)[C@H](C)CO1 ZINC000408002763 160007820 /nfs/dbraw/zinc/00/78/20/160007820.db2.gz HJTPWIIDDMONQS-HLTSFMKQSA-N -1 3 320.333 0.243 10 0 DCAEHM CN(C)c1nc(C(=O)N2CCN(C3CCCC3)CC2)cc(=O)[n-]1 ZINC000408241790 160067570 /nfs/dbraw/zinc/06/75/70/160067570.db2.gz MIOHZCLAYLYCPQ-UHFFFAOYSA-N -1 3 319.409 0.949 10 0 DCAEHM CCc1cnc(C[N-]S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000408303976 160080936 /nfs/dbraw/zinc/08/09/36/160080936.db2.gz VESCPDZDQMKBRV-UWVGGRQHSA-N -1 3 303.384 0.681 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@@H]1C)[C@H]1CCCO1 ZINC000408394219 160099635 /nfs/dbraw/zinc/09/96/35/160099635.db2.gz OIQPRMWVSIEXNJ-ZDEQEGDKSA-N -1 3 322.427 0.124 10 0 DCAEHM C[C@]1(O)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000177365902 287054682 /nfs/dbraw/zinc/05/46/82/287054682.db2.gz NZZLISCDEUSART-DYVFJYSZSA-N -1 3 318.373 0.980 10 0 DCAEHM CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1=O ZINC000333194328 415584096 /nfs/dbraw/zinc/58/40/96/415584096.db2.gz SZQRQZBUFGHOBG-KXNHARMFSA-N -1 3 314.407 0.630 10 0 DCAEHM C[C@@H]1C[C@@H]1NC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000120835822 415786905 /nfs/dbraw/zinc/78/69/05/415786905.db2.gz YCQQGMHNGSSGRB-BDAKNGLRSA-N -1 3 303.409 0.734 10 0 DCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](O)C(C)C ZINC000158859191 416003547 /nfs/dbraw/zinc/00/35/47/416003547.db2.gz GZXAFVBVZQPGPW-QMMMGPOBSA-N -1 3 307.393 0.830 10 0 DCAEHM Cc1cccc(C(=O)NC[C@](C)(O)CN2CCOCC2)c1[O-] ZINC000176487828 416127882 /nfs/dbraw/zinc/12/78/82/416127882.db2.gz XPAIBZSBKYIQNR-INIZCTEOSA-N -1 3 308.378 0.514 10 0 DCAEHM C[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1N1CCOCC1 ZINC000177267440 416143535 /nfs/dbraw/zinc/14/35/35/416143535.db2.gz CGVJJUDUZYUURO-OCCSQVGLSA-N -1 3 317.393 0.175 10 0 DCAEHM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000182170413 416215225 /nfs/dbraw/zinc/21/52/25/416215225.db2.gz KMYARBRENVYJGP-DLOVCJGASA-N -1 3 302.334 0.589 10 0 DCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)C(=O)c1cnn(CC)c1 ZINC000534736770 416506229 /nfs/dbraw/zinc/50/62/29/416506229.db2.gz YQUXBOSGLLKGNN-UHFFFAOYSA-N -1 3 319.321 0.933 10 0 DCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C(=O)c1cnn(CC)c1 ZINC000534736770 416506233 /nfs/dbraw/zinc/50/62/33/416506233.db2.gz YQUXBOSGLLKGNN-UHFFFAOYSA-N -1 3 319.321 0.933 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436717550 416567953 /nfs/dbraw/zinc/56/79/53/416567953.db2.gz HKXBKSZGZJTTPS-IUCAKERBSA-N -1 3 324.333 0.284 10 0 DCAEHM CCO[C@@H](CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)C(C)C ZINC000447756086 417023790 /nfs/dbraw/zinc/02/37/90/417023790.db2.gz VJLZCOCKGKPWAR-XHDPSFHLSA-N -1 3 311.382 0.638 10 0 DCAEHM CCO[C@H](CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)C(C)C ZINC000447756083 417024496 /nfs/dbraw/zinc/02/44/96/417024496.db2.gz VJLZCOCKGKPWAR-ABAIWWIYSA-N -1 3 311.382 0.638 10 0 DCAEHM Cc1cccc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c1F ZINC000404175047 417117793 /nfs/dbraw/zinc/11/77/93/417117793.db2.gz HGAWHVIDTYTUGE-CYBMUJFWSA-N -1 3 303.355 0.954 10 0 DCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC=CCN1 ZINC000628226879 417592542 /nfs/dbraw/zinc/59/25/42/417592542.db2.gz HUUREUKVIHIYFG-UHFFFAOYSA-N -1 3 301.393 0.320 10 0 DCAEHM O=S(=O)(Nc1ccc(Cc2nnn[n-]2)cc1)N1CCCC1 ZINC000531696303 417634778 /nfs/dbraw/zinc/63/47/78/417634778.db2.gz ISUPIJKAQBKQIW-UHFFFAOYSA-N -1 3 308.367 0.543 10 0 DCAEHM O=S(=O)(Nc1ccc(Cc2nn[n-]n2)cc1)N1CCCC1 ZINC000531696303 417634783 /nfs/dbraw/zinc/63/47/83/417634783.db2.gz ISUPIJKAQBKQIW-UHFFFAOYSA-N -1 3 308.367 0.543 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCOC1 ZINC000179201943 261111846 /nfs/dbraw/zinc/11/18/46/261111846.db2.gz KZFNTGICXQNDIB-VHSXEESVSA-N -1 3 316.354 0.398 10 0 DCAEHM O=C(N[C@@H]1CCCC(F)(F)C1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000546143669 288016337 /nfs/dbraw/zinc/01/63/37/288016337.db2.gz WJMOBELUDAZEDH-RKDXNWHRSA-N -1 3 316.308 0.510 10 0 DCAEHM Cc1ccc2c(c1)[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@H](C)C2 ZINC000181104954 278886999 /nfs/dbraw/zinc/88/69/99/278886999.db2.gz JNPRXDWXUJWXQF-LJWDBELGSA-N -1 3 301.346 0.943 10 0 DCAEHM CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000364400183 280088832 /nfs/dbraw/zinc/08/88/32/280088832.db2.gz NRPDVKCWYNCOJU-ZIBATOQPSA-N -1 3 309.366 0.248 10 0 DCAEHM Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)cn1 ZINC000584596447 337374228 /nfs/dbraw/zinc/37/42/28/337374228.db2.gz FAIVFFBCZSPNKG-UHFFFAOYSA-N -1 3 316.346 0.885 10 0 DCAEHM CC[C@H](CO)N1CCN(C(=O)c2cc(OC)ccc2[O-])CC1 ZINC000129247311 522203586 /nfs/dbraw/zinc/20/35/86/522203586.db2.gz JFRSVOCKLXZGEB-GFCCVEGCSA-N -1 3 308.378 0.930 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@@H]1C)c1ccco1 ZINC000245423891 522757948 /nfs/dbraw/zinc/75/79/48/522757948.db2.gz RMEVDAYZZYIYCZ-SRVKXCTJSA-N -1 3 318.395 0.911 10 0 DCAEHM Cc1cccnc1[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(C)C ZINC000155976508 525546202 /nfs/dbraw/zinc/54/62/02/525546202.db2.gz MTYZJJCUEDSJKA-JQWIXIFHSA-N -1 3 304.350 0.801 10 0 DCAEHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000176538342 525712007 /nfs/dbraw/zinc/71/20/07/525712007.db2.gz SZIZOSVULDIEFX-DGCLKSJQSA-N -1 3 301.346 0.943 10 0 DCAEHM CC(=O)C1(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CC1 ZINC000294655396 526394065 /nfs/dbraw/zinc/39/40/65/526394065.db2.gz KLXCVKOGJJEOCW-UHFFFAOYSA-N -1 3 303.318 0.890 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cc(C(F)(F)F)ccn1 ZINC000180607033 545900982 /nfs/dbraw/zinc/90/09/82/545900982.db2.gz UBEJIRDLKZSVLN-UHFFFAOYSA-N -1 3 302.212 0.591 10 0 DCAEHM CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-] ZINC000002564625 571682939 /nfs/dbraw/zinc/68/29/39/571682939.db2.gz KYPMKDGKAYQCHO-RYUDHWBXSA-N -1 3 312.391 0.585 10 0 endogenous,in-man DCAEHM O=C1NCCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000311629221 664672426 /nfs/dbraw/zinc/67/24/26/664672426.db2.gz YSZOKGJMJCZRTN-MRVPVSSYSA-N -1 3 307.734 0.431 10 0 DCAEHM O=C([N-]CCCN1CCO[C@H](Cn2cccn2)C1)C(F)(F)F ZINC000154815902 665184074 /nfs/dbraw/zinc/18/40/74/665184074.db2.gz ZUUXRWDNNAYENT-NSHDSACASA-N -1 3 320.315 0.653 10 0 DCAEHM C[C@H](O)[C@@H](O)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000717298737 667542658 /nfs/dbraw/zinc/54/26/58/667542658.db2.gz MYQGGKYNYQFBDI-WKEGUHRASA-N -1 3 304.140 0.626 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-]C2CCC3(CC2)OCCO3)nn1 ZINC000712743395 670151005 /nfs/dbraw/zinc/15/10/05/670151005.db2.gz GEGRTDGTUUWRAQ-UHFFFAOYSA-N -1 3 313.379 0.749 10 0 DCAEHM CN(CC(C)(C)S(C)(=O)=O)C(=O)c1ccc(O)cc1[O-] ZINC000713902406 670169119 /nfs/dbraw/zinc/16/91/19/670169119.db2.gz AGUMXXSHBPXHJW-UHFFFAOYSA-N -1 3 301.364 0.993 10 0 DCAEHM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000328647587 530022668 /nfs/dbraw/zinc/02/26/68/530022668.db2.gz UBXUWJQXYOHREN-SMDDNHRTSA-N -1 3 319.413 0.759 10 0 DCAEHM N[C@H](CS[C@H]1CC(=O)N(c2cccc(O)c2)C1=O)C(=O)[O-] ZINC000016900337 182063077 /nfs/dbraw/zinc/06/30/77/182063077.db2.gz GHBUEXKTVGIPMZ-ZJUUUORDSA-N -1 3 310.331 0.169 10 0 DCAEHM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([O-])cc1 ZINC000019731564 182139492 /nfs/dbraw/zinc/13/94/92/182139492.db2.gz PVGJZAYOGVYILA-VIFPVBQESA-N -1 3 305.377 0.200 10 0 DCAEHM C[C@@H](O)c1ccccc1[N-]S(=O)(=O)CCS(C)(=O)=O ZINC000063143447 184273751 /nfs/dbraw/zinc/27/37/51/184273751.db2.gz WCVFRJPZROJXGG-SECBINFHSA-N -1 3 307.393 0.526 10 0 DCAEHM CCCC[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)[O-] ZINC000066114450 184390620 /nfs/dbraw/zinc/39/06/20/184390620.db2.gz SVYBIBUBSIRAHX-RDBSUJKOSA-N -1 3 308.378 0.677 10 0 DCAEHM CCN1CCC[C@@H]1CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000216053424 285255898 /nfs/dbraw/zinc/25/58/98/285255898.db2.gz VFTQFIAOSCQNOF-OHHDELOUSA-N -1 3 306.362 0.337 10 0 DCAEHM COCCN1CCO[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@@H]21 ZINC000247899533 257115069 /nfs/dbraw/zinc/11/50/69/257115069.db2.gz VPNSAIBPCLZQCR-LSDHHAIUSA-N -1 3 306.362 0.564 10 0 DCAEHM CN1CCO[C@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C[C@@H]21 ZINC000284387486 131076313 /nfs/dbraw/zinc/07/63/13/131076313.db2.gz BBFPYFMEKMVTNC-KBPBESRZSA-N -1 3 301.350 0.503 10 0 DCAEHM CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)[O-] ZINC000013646344 395688804 /nfs/dbraw/zinc/68/88/04/395688804.db2.gz UXBZYLSMYOATLH-DCAQKATOSA-N -1 3 301.387 0.090 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN3CCC[C@H]3C2)o1 ZINC000195331198 395825518 /nfs/dbraw/zinc/82/55/18/395825518.db2.gz IPAYJWCGZFLZGZ-JTQLQIEISA-N -1 3 313.379 0.108 10 0 DCAEHM NC(=O)[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCO1 ZINC000051467389 395850590 /nfs/dbraw/zinc/85/05/90/395850590.db2.gz KNNOPMBTMZBCAV-CQSZACIVSA-N -1 3 304.346 0.597 10 0 DCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1(CO)CC1 ZINC000224031496 395857611 /nfs/dbraw/zinc/85/76/11/395857611.db2.gz JTXRMOMJOYELKG-UHFFFAOYSA-N -1 3 303.311 0.416 10 0 DCAEHM CC(C)(C)CCS(=O)(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000227768593 395869656 /nfs/dbraw/zinc/86/96/56/395869656.db2.gz FRPCRFIPKUVNMZ-LBPRGKRZSA-N -1 3 303.384 0.036 10 0 DCAEHM CCC1(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCC1 ZINC000151790082 395992954 /nfs/dbraw/zinc/99/29/54/395992954.db2.gz JOTYFRATNBBCSN-UHFFFAOYSA-N -1 3 300.384 0.147 10 0 DCAEHM CCCCCOCC(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000263014368 396198072 /nfs/dbraw/zinc/19/80/72/396198072.db2.gz ZBDIOWQMLYBAHP-CYBMUJFWSA-N -1 3 316.398 0.437 10 0 DCAEHM C[C@@H]1Cc2ccccc2N1CCNC(=O)CN1CC(=O)[N-]C1=O ZINC000078646490 396250838 /nfs/dbraw/zinc/25/08/38/396250838.db2.gz AIAKGLWQQKOQSI-LLVKDONJSA-N -1 3 316.361 0.106 10 0 DCAEHM COc1nnc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)[n-]1 ZINC000182986943 396258492 /nfs/dbraw/zinc/25/84/92/396258492.db2.gz ALTVVCZHCXMKAE-UHNVWZDZSA-N -1 3 307.232 0.209 10 0 DCAEHM COc1nc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)n[n-]1 ZINC000182986943 396258495 /nfs/dbraw/zinc/25/84/95/396258495.db2.gz ALTVVCZHCXMKAE-UHNVWZDZSA-N -1 3 307.232 0.209 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)n1 ZINC000182986943 396258499 /nfs/dbraw/zinc/25/84/99/396258499.db2.gz ALTVVCZHCXMKAE-UHNVWZDZSA-N -1 3 307.232 0.209 10 0 DCAEHM Cc1nc(C)c(CCC(=O)N2CC(=O)N(C)[C@@H](C)C2)c(=O)[n-]1 ZINC000282193026 396271198 /nfs/dbraw/zinc/27/11/98/396271198.db2.gz MNOVZKKQKVGWIU-VIFPVBQESA-N -1 3 306.366 0.421 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000186192119 396343921 /nfs/dbraw/zinc/34/39/21/396343921.db2.gz RXBIDTSJVRKOMK-SECBINFHSA-N -1 3 323.299 0.833 10 0 DCAEHM O=S(=O)([N-]CC(F)(F)F)N1CCC(N2CCCC2)CC1 ZINC000192016110 396428292 /nfs/dbraw/zinc/42/82/92/396428292.db2.gz UVUFOXRDRQQZGL-UHFFFAOYSA-N -1 3 315.361 0.943 10 0 DCAEHM CNS(=O)(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000377123917 397034023 /nfs/dbraw/zinc/03/40/23/397034023.db2.gz AYQNWRGBNIDMTC-UHFFFAOYSA-N -1 3 313.379 0.051 10 0 DCAEHM CC(=O)c1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)n(C)c1 ZINC000572860408 397103961 /nfs/dbraw/zinc/10/39/61/397103961.db2.gz FBHTUDHBFICIDN-LLVKDONJSA-N -1 3 316.365 0.746 10 0 DCAEHM CCOC(=O)CN(Cc1nc2c(cnn2C)c(=O)[n-]1)C1CCC1 ZINC000613494341 397266577 /nfs/dbraw/zinc/26/65/77/397266577.db2.gz RZEVKVAPJOXJHX-UHFFFAOYSA-N -1 3 319.365 0.987 10 0 DCAEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2COCCOC2)c1 ZINC000380313385 397269632 /nfs/dbraw/zinc/26/96/32/397269632.db2.gz LAIQUVUQUDXQEH-UHFFFAOYSA-N -1 3 316.766 0.905 10 0 DCAEHM CCC[C@](C)([N-]S(=O)(=O)c1cn(CC)cn1)C(=O)OC ZINC000081685243 158086065 /nfs/dbraw/zinc/08/60/65/158086065.db2.gz QSJHRPPYSHAHHI-LBPRGKRZSA-N -1 3 303.384 0.913 10 0 DCAEHM O=C(CSc1ccccc1)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000083856508 158088315 /nfs/dbraw/zinc/08/83/15/158088315.db2.gz WQHHACNWKONXAH-AWEZNQCLSA-N -1 3 305.359 0.589 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N[C@H]1CCCn3ncnc31)c2[O-] ZINC000119327915 158185533 /nfs/dbraw/zinc/18/55/33/158185533.db2.gz YLZKBSBPQVLXGS-JTQLQIEISA-N -1 3 313.321 0.530 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1O)c1cnn2c1OCCC2 ZINC000329740989 159115976 /nfs/dbraw/zinc/11/59/76/159115976.db2.gz VRYFIGWJZJSAMP-ZJUUUORDSA-N -1 3 301.368 0.247 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-][C@H]2CCN(C(C)=O)C2)nc1C ZINC000408063623 160026294 /nfs/dbraw/zinc/02/62/94/160026294.db2.gz RMEUQPOKWUUUHE-NSHDSACASA-N -1 3 300.384 0.111 10 0 DCAEHM CN(C)c1nc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc(=O)[n-]1 ZINC000408242361 160067694 /nfs/dbraw/zinc/06/76/94/160067694.db2.gz STEJNBDGSKMJNJ-GGZOMVNGSA-N -1 3 306.366 0.792 10 0 DCAEHM CC(C)(CC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)C(F)(F)F ZINC000408328440 160086258 /nfs/dbraw/zinc/08/62/58/160086258.db2.gz GIENRYRUSWKQCV-SSDOTTSWSA-N -1 3 307.272 0.728 10 0 DCAEHM CCN1CCC[C@H](NC(=O)N2CCSC[C@H]2C(=O)[O-])C1 ZINC000250375917 685184745 /nfs/dbraw/zinc/18/47/45/685184745.db2.gz WIOLUGYFXLBSIQ-QWRGUYRKSA-N -1 3 301.412 0.682 10 0 DCAEHM CCN1CCC[C@@H](NC(=O)N2CCSC[C@H]2C(=O)[O-])C1 ZINC000250375914 685184970 /nfs/dbraw/zinc/18/49/70/685184970.db2.gz WIOLUGYFXLBSIQ-MNOVXSKESA-N -1 3 301.412 0.682 10 0 DCAEHM C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H](c2ccccc2)CO1 ZINC000270954804 415258861 /nfs/dbraw/zinc/25/88/61/415258861.db2.gz YFDRSGPBUVNMMM-KGYLQXTDSA-N -1 3 317.345 0.573 10 0 DCAEHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCc2ncnn2C1 ZINC000120585950 415774080 /nfs/dbraw/zinc/77/40/80/415774080.db2.gz BUJQHMOJRRVRLY-QMMMGPOBSA-N -1 3 314.392 0.642 10 0 DCAEHM COc1nnc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)[n-]1 ZINC000179378492 416186312 /nfs/dbraw/zinc/18/63/12/416186312.db2.gz NLPOPZQJVLQEJT-UHFFFAOYSA-N -1 3 314.305 0.663 10 0 DCAEHM COc1nc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)n[n-]1 ZINC000179378492 416186316 /nfs/dbraw/zinc/18/63/16/416186316.db2.gz NLPOPZQJVLQEJT-UHFFFAOYSA-N -1 3 314.305 0.663 10 0 DCAEHM COc1n[n-]c(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)n1 ZINC000179378492 416186318 /nfs/dbraw/zinc/18/63/18/416186318.db2.gz NLPOPZQJVLQEJT-UHFFFAOYSA-N -1 3 314.305 0.663 10 0 DCAEHM COc1nnc(NC(=O)CCc2nc(-c3ccccn3)no2)[n-]1 ZINC000179372908 416187446 /nfs/dbraw/zinc/18/74/46/416187446.db2.gz YCZNKCMCJOSUIB-UHFFFAOYSA-N -1 3 315.293 0.830 10 0 DCAEHM COc1nc(NC(=O)CCc2nc(-c3ccccn3)no2)n[n-]1 ZINC000179372908 416187449 /nfs/dbraw/zinc/18/74/49/416187449.db2.gz YCZNKCMCJOSUIB-UHFFFAOYSA-N -1 3 315.293 0.830 10 0 DCAEHM COc1n[n-]c(NC(=O)CCc2nc(-c3ccccn3)no2)n1 ZINC000179372908 416187450 /nfs/dbraw/zinc/18/74/50/416187450.db2.gz YCZNKCMCJOSUIB-UHFFFAOYSA-N -1 3 315.293 0.830 10 0 DCAEHM Cn1ncc2c1[n-]cc(C(=O)N1CCCN(C3CC3)CC1)c2=O ZINC000181878978 416211625 /nfs/dbraw/zinc/21/16/25/416211625.db2.gz LGRYXICQQLTPIL-UHFFFAOYSA-N -1 3 315.377 0.984 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N1CCCN(C3CC3)CC1)c2[O-] ZINC000181878978 416211628 /nfs/dbraw/zinc/21/16/28/416211628.db2.gz LGRYXICQQLTPIL-UHFFFAOYSA-N -1 3 315.377 0.984 10 0 DCAEHM O=C([N-]c1cnns1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000192089783 416298065 /nfs/dbraw/zinc/29/80/65/416298065.db2.gz XAQQUSGGAKQSQR-SECBINFHSA-N -1 3 306.351 0.954 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436717551 416567686 /nfs/dbraw/zinc/56/76/86/416567686.db2.gz HKXBKSZGZJTTPS-RKDXNWHRSA-N -1 3 324.333 0.284 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436821585 416572371 /nfs/dbraw/zinc/57/23/71/416572371.db2.gz LSSYMGMKYMKNDN-QWRGUYRKSA-N -1 3 322.361 0.887 10 0 DCAEHM Cc1ccc(F)c(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c1 ZINC000404209950 417117469 /nfs/dbraw/zinc/11/74/69/417117469.db2.gz UBOMEIMJVFLVCV-CYBMUJFWSA-N -1 3 303.355 0.954 10 0 DCAEHM C/C=C\C[C@@H]([N-]S(=O)(=O)C1(COC)CC1)C(=O)OCC ZINC000451395758 417340934 /nfs/dbraw/zinc/34/09/34/417340934.db2.gz XBCPLUJHUMQQAA-VLWUPBBWSA-N -1 3 305.396 0.983 10 0 DCAEHM CCc1ncc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)s1 ZINC000575826931 417555489 /nfs/dbraw/zinc/55/54/89/417555489.db2.gz OMABGXYYXVXYQJ-ZDUSSCGKSA-N -1 3 308.363 0.520 10 0 DCAEHM NCc1cc(=O)[n-]c(CNS(=O)(=O)CCC2CCC2)n1 ZINC000658409116 417960942 /nfs/dbraw/zinc/96/09/42/417960942.db2.gz ZJRGMSVNSHEBOZ-UHFFFAOYSA-N -1 3 300.384 0.251 10 0 DCAEHM C[C@@H]1[C@H](CO)CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000362474184 262038839 /nfs/dbraw/zinc/03/88/39/262038839.db2.gz RDQUMNITPGQPCT-BDAKNGLRSA-N -1 3 303.318 0.805 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-][C@H]2CCC(=O)N[C@H]2C)nc1C ZINC000392903212 262161370 /nfs/dbraw/zinc/16/13/70/262161370.db2.gz PPSNUFYRVZDSPV-WPRPVWTQSA-N -1 3 300.384 0.157 10 0 DCAEHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@@H](CO)C1 ZINC000528861954 272663991 /nfs/dbraw/zinc/66/39/91/272663991.db2.gz LJFCAGPFCPNKBD-LLVKDONJSA-N -1 3 316.151 0.988 10 0 DCAEHM CSc1nc(=NC(=O)NCCNc2ccncc2)s[n-]1 ZINC000535816170 287845298 /nfs/dbraw/zinc/84/52/98/287845298.db2.gz ZOVFEDAWOWUHER-UHFFFAOYSA-N -1 3 310.408 0.732 10 0 DCAEHM CC(C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])S(C)(=O)=O ZINC000262086724 298183647 /nfs/dbraw/zinc/18/36/47/298183647.db2.gz FWHLKPNUIUNNLF-RKDXNWHRSA-N -1 3 309.384 0.194 10 0 DCAEHM CC(=O)c1cccc(NC(=O)[C@@H](O)Cc2cnn(C)c2)c1[O-] ZINC000577282250 341902278 /nfs/dbraw/zinc/90/22/78/341902278.db2.gz BJBCXBIIGDVBBZ-ZDUSSCGKSA-N -1 3 303.318 0.870 10 0 DCAEHM COCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000157478053 523908679 /nfs/dbraw/zinc/90/86/79/523908679.db2.gz VDSKXIAASQAKJH-SECBINFHSA-N -1 3 304.343 0.255 10 0 DCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)[C@@H](C)CO)c([O-])c1 ZINC000126848490 526159727 /nfs/dbraw/zinc/15/97/27/526159727.db2.gz FTMQDYCGNWGSIH-RYUDHWBXSA-N -1 3 308.378 0.954 10 0 DCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)[C@@H](C)CO)c([O-])c1 ZINC000126848767 526160996 /nfs/dbraw/zinc/16/09/96/526160996.db2.gz FTMQDYCGNWGSIH-NWDGAFQWSA-N -1 3 308.378 0.954 10 0 DCAEHM CC(=O)N1CCN(CC[N-]S(=O)(=O)c2ccc(C)o2)CC1 ZINC000330655539 526626534 /nfs/dbraw/zinc/62/65/34/526626534.db2.gz OAHRLSBAQGSIMD-UHFFFAOYSA-N -1 3 315.395 0.030 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000111584326 526722345 /nfs/dbraw/zinc/72/23/45/526722345.db2.gz CAYUUVQMRNAPCA-UHFFFAOYSA-N -1 3 313.317 0.245 10 0 DCAEHM COC1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CCOCC1 ZINC000583644382 546301959 /nfs/dbraw/zinc/30/19/59/546301959.db2.gz BIJLYCYYUFLXMS-UHFFFAOYSA-N -1 3 317.349 0.925 10 0 DCAEHM COC1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CCOCC1 ZINC000583644382 546301961 /nfs/dbraw/zinc/30/19/61/546301961.db2.gz BIJLYCYYUFLXMS-UHFFFAOYSA-N -1 3 317.349 0.925 10 0 DCAEHM NC(=O)[C@@H]1CCC[C@H](NC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000255066784 658759750 /nfs/dbraw/zinc/75/97/50/658759750.db2.gz CQFDORWCTXBPNC-MGPVMZAGSA-N -1 3 313.357 0.931 10 0 DCAEHM COC[C@](C)(CCO)NC(=O)c1nnc2ccccc2c1[O-] ZINC000182821150 659142353 /nfs/dbraw/zinc/14/23/53/659142353.db2.gz FOHYAWBXNCCWIM-HNNXBMFYSA-N -1 3 305.334 0.440 10 0 DCAEHM CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)O1 ZINC000898225166 662944935 /nfs/dbraw/zinc/94/49/35/662944935.db2.gz DAWJNFOWPSJZKW-ZMLRMANQSA-N -1 3 322.365 0.067 10 0 DCAEHM Cc1c(CC(=O)N2CCN(c3ccccn3)CC2)nc[n-]c1=O ZINC000222946642 664396589 /nfs/dbraw/zinc/39/65/89/664396589.db2.gz UKEYXDNPORTNBZ-UHFFFAOYSA-N -1 3 313.361 0.365 10 0 DCAEHM CCOC(=O)C(C)(C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000118328916 666942337 /nfs/dbraw/zinc/94/23/37/666942337.db2.gz GPWCKGJUUNAWKZ-UHFFFAOYSA-N -1 3 303.318 0.995 10 0 DCAEHM O=C(C[N-]S(=O)(=O)c1cccnc1F)NCC(F)(F)F ZINC000401777500 768585369 /nfs/dbraw/zinc/58/53/69/768585369.db2.gz FHGMLRUDLRXBMD-UHFFFAOYSA-N -1 3 315.248 0.178 10 0 DCAEHM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2cccnc2F)CC1 ZINC000401791090 774066398 /nfs/dbraw/zinc/06/63/98/774066398.db2.gz NOGZSKQJPVBCGF-UHFFFAOYSA-N -1 3 308.356 0.076 10 0 DCAEHM COC(=O)C1([N-]S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CCCC1 ZINC000408238083 290911213 /nfs/dbraw/zinc/91/12/13/290911213.db2.gz SVSTYIBFJCEBCK-GHMZBOCLSA-N -1 3 320.411 0.416 10 0 DCAEHM CCCN(C[C@H]1CCCCO1)C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000329551728 283288515 /nfs/dbraw/zinc/28/85/15/283288515.db2.gz ANUNJKCGAYDPQQ-SECBINFHSA-N -1 3 310.354 0.891 10 0 DCAEHM COc1nnc(NC(=O)CCc2c(C)nc3ncnn3c2C)[n-]1 ZINC000179374574 199024258 /nfs/dbraw/zinc/02/42/58/199024258.db2.gz VUAXSMKOBUNVFY-UHFFFAOYSA-N -1 3 316.325 0.439 10 0 DCAEHM COc1nc(NC(=O)CCc2c(C)nc3ncnn3c2C)n[n-]1 ZINC000179374574 199024260 /nfs/dbraw/zinc/02/42/60/199024260.db2.gz VUAXSMKOBUNVFY-UHFFFAOYSA-N -1 3 316.325 0.439 10 0 DCAEHM COc1n[n-]c(NC(=O)CCc2c(C)nc3ncnn3c2C)n1 ZINC000179374574 199024262 /nfs/dbraw/zinc/02/42/62/199024262.db2.gz VUAXSMKOBUNVFY-UHFFFAOYSA-N -1 3 316.325 0.439 10 0 DCAEHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]CC(F)(F)CN ZINC000186990059 200044406 /nfs/dbraw/zinc/04/44/06/200044406.db2.gz HKQNDAKKXQLJKQ-UHFFFAOYSA-N -1 3 322.333 0.654 10 0 DCAEHM Cc1ccc(C[C@H](C)N(C)C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000162658856 291244798 /nfs/dbraw/zinc/24/47/98/291244798.db2.gz YJWZOOYPZLTBQN-AAEUAGOBSA-N -1 3 303.362 0.983 10 0 DCAEHM Cc1ccc(C(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)c(F)c1 ZINC000275757403 238311433 /nfs/dbraw/zinc/31/14/33/238311433.db2.gz RHYPAHBWLNHMBL-GFCCVEGCSA-N -1 3 324.352 0.992 10 0 DCAEHM C[C@H](O)C(C)(C)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000167133369 291248967 /nfs/dbraw/zinc/24/89/67/291248967.db2.gz UROZDMXXXJWVJW-VIFPVBQESA-N -1 3 320.436 0.692 10 0 DCAEHM O=C(C[C@H]1NC(=O)[N-]C1=O)NCCc1c[nH]c2ccccc12 ZINC000042811798 183311518 /nfs/dbraw/zinc/31/15/18/183311518.db2.gz NJIRVTJLXYUINF-GFCCVEGCSA-N -1 3 300.318 0.425 10 0 DCAEHM CC(=O)N1CCC[C@H](CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000338929325 253011327 /nfs/dbraw/zinc/01/13/27/253011327.db2.gz NHBPVDSTOHRCHF-LLVKDONJSA-N -1 3 321.381 0.237 10 0 DCAEHM COc1ccc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c([O-])c1 ZINC000284653481 131101248 /nfs/dbraw/zinc/10/12/48/131101248.db2.gz WIHKFCCGFYFBEO-ZFWWWQNUSA-N -1 3 306.362 0.946 10 0 DCAEHM COc1ccccc1C(=O)N[C@@H](CO)c1n[n-]c(=S)n1C ZINC000009928029 395685851 /nfs/dbraw/zinc/68/58/51/395685851.db2.gz IXWZMUGYMJKNCY-VIFPVBQESA-N -1 3 308.363 0.576 10 0 DCAEHM CC[C@@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c1nccs1 ZINC000193938940 395782984 /nfs/dbraw/zinc/78/29/84/395782984.db2.gz BSYWSFIBVGBGDD-DTWKUNHWSA-N -1 3 305.425 0.990 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCCO ZINC000194965505 395812725 /nfs/dbraw/zinc/81/27/25/395812725.db2.gz HGCOIWNWXHMLHO-JTQLQIEISA-N -1 3 318.370 0.381 10 0 DCAEHM COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)[N-]Cc1ncc(C)o1 ZINC000234586173 395889328 /nfs/dbraw/zinc/88/93/28/395889328.db2.gz MHZNLRXKWHGIPY-UWVGGRQHSA-N -1 3 302.352 0.744 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCSC[C@H]1c1ccccc1 ZINC000271405286 395864331 /nfs/dbraw/zinc/86/43/31/395864331.db2.gz ISODMDJRMSCIGY-RYUDHWBXSA-N -1 3 319.386 0.901 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@H]1c1nccs1 ZINC000134830241 395935610 /nfs/dbraw/zinc/93/56/10/395935610.db2.gz LPTCECSYTWIDNY-VIFPVBQESA-N -1 3 308.363 0.749 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)cn1 ZINC000274639222 395963823 /nfs/dbraw/zinc/96/38/23/395963823.db2.gz KAFOJVBFFUORQJ-UWVGGRQHSA-N -1 3 313.379 0.239 10 0 DCAEHM CN(CCCNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1F ZINC000154748919 396042555 /nfs/dbraw/zinc/04/25/55/396042555.db2.gz WYYOCUKGKZAIHZ-NSHDSACASA-N -1 3 322.340 0.366 10 0 DCAEHM CCCN(CCc1ccccn1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000155174189 396047891 /nfs/dbraw/zinc/04/78/91/396047891.db2.gz UZLVTNAXQYSGQP-LBPRGKRZSA-N -1 3 304.350 0.461 10 0 DCAEHM COCCN(C)CC[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000155537222 396053501 /nfs/dbraw/zinc/05/35/01/396053501.db2.gz JTGSRUNBLXREKP-UHFFFAOYSA-N -1 3 324.834 0.238 10 0 DCAEHM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000277636314 396079242 /nfs/dbraw/zinc/07/92/42/396079242.db2.gz JRYFVEOJZDFTAM-QMMMGPOBSA-N -1 3 318.782 0.809 10 0 DCAEHM CN1CCO[C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000279264035 396162106 /nfs/dbraw/zinc/16/21/06/396162106.db2.gz MQSJORAYICPDPI-MRVPVSSYSA-N -1 3 323.777 0.483 10 0 DCAEHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)CSC(C)(C)C)CCO1 ZINC000262874358 396189150 /nfs/dbraw/zinc/18/91/50/396189150.db2.gz DJKDWPAICYNOLE-LLVKDONJSA-N -1 3 318.439 0.762 10 0 DCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000281930455 396249956 /nfs/dbraw/zinc/24/99/56/396249956.db2.gz BDGQWLNTWRXNEU-CQSZACIVSA-N -1 3 303.297 0.449 10 0 DCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000281930455 396249959 /nfs/dbraw/zinc/24/99/59/396249959.db2.gz BDGQWLNTWRXNEU-CQSZACIVSA-N -1 3 303.297 0.449 10 0 DCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000281930455 396249961 /nfs/dbraw/zinc/24/99/61/396249961.db2.gz BDGQWLNTWRXNEU-CQSZACIVSA-N -1 3 303.297 0.449 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCCC2(C)C)cn1C ZINC000077352652 396219242 /nfs/dbraw/zinc/21/92/42/396219242.db2.gz UWGLPGHSEYCDAE-UHFFFAOYSA-N -1 3 314.411 0.408 10 0 DCAEHM COCC(=O)NC1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000186312898 396347505 /nfs/dbraw/zinc/34/75/05/396347505.db2.gz KUGMFYQRMDAPDS-UHFFFAOYSA-N -1 3 318.373 0.858 10 0 DCAEHM Cn1cc(C(=O)N2CCC(C3CCOCC3)CC2)c(=O)[n-]c1=O ZINC000372219821 396497790 /nfs/dbraw/zinc/49/77/90/396497790.db2.gz VPZSOWIPLAWUIJ-UHFFFAOYSA-N -1 3 321.377 0.765 10 0 DCAEHM O=S(=O)([N-][C@H]1CCOC[C@@H]1O)c1cccc(Cl)c1F ZINC000625597282 396942359 /nfs/dbraw/zinc/94/23/59/396942359.db2.gz NPWIJWIFGVLDKN-IUCAKERBSA-N -1 3 309.746 0.907 10 0 DCAEHM COCCN(CC(=O)[O-])C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000630571412 397048957 /nfs/dbraw/zinc/04/89/57/397048957.db2.gz WGRIOHVAFTXMIF-CQSZACIVSA-N -1 3 323.393 0.005 10 0 DCAEHM COC(=O)CCN(C)S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000398032122 397313469 /nfs/dbraw/zinc/31/34/69/397313469.db2.gz LTRYRQVFVVIYOF-QMMMGPOBSA-N -1 3 300.327 0.504 10 0 DCAEHM C[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc([O-])cc1 ZINC000049502701 158010543 /nfs/dbraw/zinc/01/05/43/158010543.db2.gz OFYMYQCNQKRCOC-LLVKDONJSA-N -1 3 300.380 0.391 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC=C(c2cccs2)CC1 ZINC000117989957 158174589 /nfs/dbraw/zinc/17/45/89/158174589.db2.gz VTVQWQRQNAFFSZ-UHFFFAOYSA-N -1 3 305.359 0.916 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000123817716 158234183 /nfs/dbraw/zinc/23/41/83/158234183.db2.gz PAQJOXIWJUVMGG-OCCSQVGLSA-N -1 3 318.373 0.980 10 0 DCAEHM COc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)on1 ZINC000125012677 158249550 /nfs/dbraw/zinc/24/95/50/158249550.db2.gz ZZQMLYJZSHRLQA-UHFFFAOYSA-N -1 3 300.278 0.793 10 0 DCAEHM COc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)on1 ZINC000125012677 158249554 /nfs/dbraw/zinc/24/95/54/158249554.db2.gz ZZQMLYJZSHRLQA-UHFFFAOYSA-N -1 3 300.278 0.793 10 0 DCAEHM Cc1cccc([C@@H]2CCCN2C(=O)CN2CC(=O)[N-]C2=O)n1 ZINC000167259200 158368341 /nfs/dbraw/zinc/36/83/41/158368341.db2.gz LJKBSWKIPUMHIN-LBPRGKRZSA-N -1 3 302.334 0.605 10 0 DCAEHM C[C@@H](NS(=O)(=O)c1ccc([O-])cc1)C(=O)NC(C)(C)C ZINC000227962416 158619563 /nfs/dbraw/zinc/61/95/63/158619563.db2.gz CJZLNHLRKIAGMH-SECBINFHSA-N -1 3 300.380 0.974 10 0 DCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000328708290 159023281 /nfs/dbraw/zinc/02/32/81/159023281.db2.gz ZUMZVGUGJVNSIR-LBPRGKRZSA-N -1 3 318.308 0.917 10 0 DCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000328708290 159023282 /nfs/dbraw/zinc/02/32/82/159023282.db2.gz ZUMZVGUGJVNSIR-LBPRGKRZSA-N -1 3 318.308 0.917 10 0 DCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000328708290 159023283 /nfs/dbraw/zinc/02/32/83/159023283.db2.gz ZUMZVGUGJVNSIR-LBPRGKRZSA-N -1 3 318.308 0.917 10 0 DCAEHM CC(=O)[C@H](C)CCCCC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000330547478 159191034 /nfs/dbraw/zinc/19/10/34/159191034.db2.gz ZVCLUBCYPQIVAS-PWSUYJOCSA-N -1 3 309.366 0.535 10 0 DCAEHM Cc1noc([C@H](C)[N-]S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000408160701 160049968 /nfs/dbraw/zinc/04/99/68/160049968.db2.gz JTWOELPRVBQRHJ-HLTSFMKQSA-N -1 3 304.372 0.383 10 0 DCAEHM CC1(C)Cc2ccc(C(=O)N3C[C@@H](O)C[C@@H]3CO)c([O-])c2O1 ZINC000408410308 160102725 /nfs/dbraw/zinc/10/27/25/160102725.db2.gz NPMCVOHWKOMHRW-MNOVXSKESA-N -1 3 307.346 0.673 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)o1 ZINC000081552031 286929171 /nfs/dbraw/zinc/92/91/71/286929171.db2.gz RPZNTCNPFDLIBO-RKDXNWHRSA-N -1 3 316.379 0.746 10 0 DCAEHM C[C@H](C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1nnc[n-]1 ZINC000086169717 415509559 /nfs/dbraw/zinc/50/95/59/415509559.db2.gz ASKNRISATUIFGK-VHSXEESVSA-N -1 3 308.363 0.844 10 0 DCAEHM C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1cccc(Cl)c1 ZINC000174417640 416077589 /nfs/dbraw/zinc/07/75/89/416077589.db2.gz XWONUMDCURBECV-LURJTMIESA-N -1 3 308.725 0.790 10 0 DCAEHM CCc1cc(C)c(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)o1 ZINC000195016662 416325148 /nfs/dbraw/zinc/32/51/48/416325148.db2.gz AOLJYEZMXSGHKT-OAHLLOKOSA-N -1 3 305.334 0.965 10 0 DCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCN1CCC1 ZINC000533107636 416474491 /nfs/dbraw/zinc/47/44/91/416474491.db2.gz XVFFTUZDRGYGAQ-UHFFFAOYSA-N -1 3 315.377 0.987 10 0 DCAEHM Cc1noc(CN2CCN(C(=O)c3ccc(O)cc3[O-])CC2)n1 ZINC000436621614 416565649 /nfs/dbraw/zinc/56/56/49/416565649.db2.gz BSYQONFWAHXRPD-UHFFFAOYSA-N -1 3 318.333 0.747 10 0 DCAEHM CCOC(=O)[C@@H](CC(C)C)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366134660 416618193 /nfs/dbraw/zinc/61/81/93/416618193.db2.gz ZRQXLDNECALFFY-ABAIWWIYSA-N -1 3 311.382 0.638 10 0 DCAEHM COC(=O)CC1(CS(=O)(=O)[N-]C[C@H](O)C(F)(F)F)CC1 ZINC000443149464 416734189 /nfs/dbraw/zinc/73/41/89/416734189.db2.gz XTSVPBLRMJMZAD-ZETCQYMHSA-N -1 3 319.301 0.172 10 0 DCAEHM COCCn1ccc(=NC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)[nH]1 ZINC000527072754 417208824 /nfs/dbraw/zinc/20/88/24/417208824.db2.gz HJGLTCKAPZQGKG-NSHDSACASA-N -1 3 320.353 0.592 10 0 DCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000179248338 261111868 /nfs/dbraw/zinc/11/18/68/261111868.db2.gz XXCYTQZHAKXOHT-MNOVXSKESA-N -1 3 314.411 0.786 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@H]2C)nc1C ZINC000392903211 262161009 /nfs/dbraw/zinc/16/10/09/262161009.db2.gz PPSNUFYRVZDSPV-WCBMZHEXSA-N -1 3 300.384 0.157 10 0 DCAEHM CO[C@@H](C)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000461267331 272025960 /nfs/dbraw/zinc/02/59/60/272025960.db2.gz BVDBJTGJFQLOAN-UTLUCORTSA-N -1 3 320.436 0.955 10 0 DCAEHM Cc1nnc2n1C[C@@H](CNC(=O)NCc1ncccc1[O-])CC2 ZINC000527453486 287693404 /nfs/dbraw/zinc/69/34/04/287693404.db2.gz FMTYYZBRQHMKMA-LLVKDONJSA-N -1 3 316.365 0.749 10 0 DCAEHM O=C(Cc1cccc(O)c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000388505556 333317452 /nfs/dbraw/zinc/31/74/52/333317452.db2.gz OHBOVXVUHLHPDW-HNNXBMFYSA-N -1 3 303.318 0.135 10 0 DCAEHM O=C(Cc1cccc(O)c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000388505567 333317498 /nfs/dbraw/zinc/31/74/98/333317498.db2.gz OHBOVXVUHLHPDW-OAHLLOKOSA-N -1 3 303.318 0.135 10 0 DCAEHM Cc1ccc(-c2[nH]nc(NC(=O)CN3CC(=O)[N-]C3=O)c2C)o1 ZINC000161547456 525789242 /nfs/dbraw/zinc/78/92/42/525789242.db2.gz JLPHTDXVYQLOEQ-UHFFFAOYSA-N -1 3 317.305 0.777 10 0 DCAEHM Cc1noc(CCNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n1 ZINC000104873359 526611030 /nfs/dbraw/zinc/61/10/30/526611030.db2.gz YYLIAWYICYJGDR-UHFFFAOYSA-N -1 3 300.274 0.234 10 0 DCAEHM Cc1nc(C)c(CCC(=O)NC[C@H]2CCCC[C@H]2O)c(=O)[n-]1 ZINC000158262189 526709944 /nfs/dbraw/zinc/70/99/44/526709944.db2.gz RJYDBVAYWREBRR-TZMCWYRMSA-N -1 3 307.394 0.987 10 0 DCAEHM O=C(c1cccc2c1OCO2)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000364178654 526782822 /nfs/dbraw/zinc/78/28/22/526782822.db2.gz GJZAJBYODBNGBQ-HNNXBMFYSA-N -1 3 317.301 0.230 10 0 DCAEHM O=S(=O)([N-]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccnc1F ZINC000724551386 658452858 /nfs/dbraw/zinc/45/28/58/658452858.db2.gz CIHILRFHZREURW-UTLUCORTSA-N -1 3 302.327 0.303 10 0 DCAEHM O=S(=O)([N-][C@@H]1CCOC[C@@H]1O)c1cnc(Cl)c(F)c1 ZINC000707057143 667430818 /nfs/dbraw/zinc/43/08/18/667430818.db2.gz QHJQQWOQONVGLA-BDAKNGLRSA-N -1 3 310.734 0.302 10 0 DCAEHM CCOc1nnc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000228771574 1180398766 /nfs/dbraw/zinc/39/87/66/1180398766.db2.gz WSKYBZPEFPIWDS-SSDOTTSWSA-N -1 3 320.396 0.062 10 0 DCAEHM CCOc1nc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)n[n-]1 ZINC000228771574 1180398774 /nfs/dbraw/zinc/39/87/74/1180398774.db2.gz WSKYBZPEFPIWDS-SSDOTTSWSA-N -1 3 320.396 0.062 10 0 DCAEHM CCOc1n[n-]c(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)n1 ZINC000228771574 1180398780 /nfs/dbraw/zinc/39/87/80/1180398780.db2.gz WSKYBZPEFPIWDS-SSDOTTSWSA-N -1 3 320.396 0.062 10 0 DCAEHM O=c1ccc(C[N-]S(=O)(=O)c2cccnc2Cl)n[nH]1 ZINC000392785653 1190701180 /nfs/dbraw/zinc/70/11/80/1190701180.db2.gz KYUQWXDFGMMFJZ-UHFFFAOYSA-N -1 3 300.727 0.709 10 0 DCAEHM O=C([O-])CS(=O)(=O)CCNC[C@H]1CCC2(CCCC2)O1 ZINC000691873493 954687911 /nfs/dbraw/zinc/68/79/11/954687911.db2.gz FMYQJKODOUMRMY-LLVKDONJSA-N -1 3 305.396 0.567 10 0 DCAEHM Cc1csc([C@@H](NC(=O)CN2CC(=O)[N-]C2=O)C2CC2)n1 ZINC000173986442 198277852 /nfs/dbraw/zinc/27/78/52/198277852.db2.gz XQUFQTPDZVCVOA-NSHDSACASA-N -1 3 308.363 0.571 10 0 DCAEHM C[C@H](CO)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000179311797 199014460 /nfs/dbraw/zinc/01/44/60/199014460.db2.gz PNVHBHNVVLBQNH-ZJUUUORDSA-N -1 3 318.370 0.332 10 0 DCAEHM C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000282562150 291185793 /nfs/dbraw/zinc/18/57/93/291185793.db2.gz OINUZXWDIXTKMG-VXNVDRBHSA-N -1 3 303.771 0.680 10 0 DCAEHM O=C(C/C=C\c1ccc(F)cc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000427689396 291260908 /nfs/dbraw/zinc/26/09/08/291260908.db2.gz CNSJIHMJJSGSRQ-UIIMQBOASA-N -1 3 317.320 0.992 10 0 DCAEHM CCN1C[C@@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000110787379 194357955 /nfs/dbraw/zinc/35/79/55/194357955.db2.gz FIANRYFVSOQGTF-LBPRGKRZSA-N -1 3 314.349 0.351 10 0 DCAEHM CCN1C[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000110787379 194357958 /nfs/dbraw/zinc/35/79/58/194357958.db2.gz FIANRYFVSOQGTF-LBPRGKRZSA-N -1 3 314.349 0.351 10 0 DCAEHM COc1cc(C[C@@](C)(NN)C(N)=O)cc(Br)c1[O-] ZINC000504610512 257143905 /nfs/dbraw/zinc/14/39/05/257143905.db2.gz NJEKBQBAICRIGO-LLVKDONJSA-N -1 3 318.171 0.413 10 0 DCAEHM O=c1[n-]c(=O)n(CC2CCC2)cc1I ZINC000086788566 395704929 /nfs/dbraw/zinc/70/49/29/395704929.db2.gz STIQZTUKXBGJSP-UHFFFAOYSA-N -1 3 306.103 0.941 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](O)C2)c(C)o1 ZINC000089419316 395711379 /nfs/dbraw/zinc/71/13/79/395711379.db2.gz LMPOKMHKRUFFEQ-KWQFWETISA-N -1 3 316.379 0.339 10 0 DCAEHM CCN1CCO[C@H](C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000134703111 395934054 /nfs/dbraw/zinc/93/40/54/395934054.db2.gz NIDSVRCORLPQLO-LLVKDONJSA-N -1 3 302.371 0.825 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCC1(c2ccc(F)cc2)CC1 ZINC000154519661 396039025 /nfs/dbraw/zinc/03/90/25/396039025.db2.gz ZDVZZWQZSSQQOS-NSHDSACASA-N -1 3 305.309 0.572 10 0 DCAEHM CC(C)(C)c1csc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000155605994 396054637 /nfs/dbraw/zinc/05/46/37/396054637.db2.gz TVOLRJGTGQJEKE-ZETCQYMHSA-N -1 3 310.379 0.655 10 0 DCAEHM COc1nnc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)[n-]1 ZINC000182986962 396258176 /nfs/dbraw/zinc/25/81/76/396258176.db2.gz ALTVVCZHCXMKAE-WHFBIAKZSA-N -1 3 307.232 0.209 10 0 DCAEHM COc1nc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)n[n-]1 ZINC000182986962 396258177 /nfs/dbraw/zinc/25/81/77/396258177.db2.gz ALTVVCZHCXMKAE-WHFBIAKZSA-N -1 3 307.232 0.209 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)n1 ZINC000182986962 396258178 /nfs/dbraw/zinc/25/81/78/396258178.db2.gz ALTVVCZHCXMKAE-WHFBIAKZSA-N -1 3 307.232 0.209 10 0 DCAEHM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]CC(=O)Nc1cccc(F)c1 ZINC000184412678 396294366 /nfs/dbraw/zinc/29/43/66/396294366.db2.gz FNICRAFEXQJRAL-SKDRFNHKSA-N -1 3 316.354 0.861 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cscn2)cn1 ZINC000184834560 396307511 /nfs/dbraw/zinc/30/75/11/396307511.db2.gz ZKRFFKFUCPLWHI-UHFFFAOYSA-N -1 3 312.376 0.376 10 0 DCAEHM O=C(c1cccc([O-])c1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000371778547 396476697 /nfs/dbraw/zinc/47/66/97/396476697.db2.gz RRWDMZKJGNXZAR-UHFFFAOYSA-N -1 3 320.389 0.692 10 0 DCAEHM CC(C)c1nnc2n1CCN(CCCOC([O-])=NC(N)=O)[C@@H]2C ZINC000375526645 396765077 /nfs/dbraw/zinc/76/50/77/396765077.db2.gz SAOPUUZJDOEUIH-SNVBAGLBSA-N -1 3 324.385 0.973 10 0 DCAEHM CC(C)c1nnc2n1CCN(CCCOC(=O)N=C(N)[O-])[C@@H]2C ZINC000375526645 396765086 /nfs/dbraw/zinc/76/50/86/396765086.db2.gz SAOPUUZJDOEUIH-SNVBAGLBSA-N -1 3 324.385 0.973 10 0 DCAEHM CC(C)c1nnc2n1CCN(CCCOC(=O)[N-]C(N)=O)[C@@H]2C ZINC000375526645 396765097 /nfs/dbraw/zinc/76/50/97/396765097.db2.gz SAOPUUZJDOEUIH-SNVBAGLBSA-N -1 3 324.385 0.973 10 0 DCAEHM O=C1CC[C@H]([N-]S(=O)(=O)c2ccco2)[C@@H]([C@H]2CCCO2)N1 ZINC000377856059 397155064 /nfs/dbraw/zinc/15/50/64/397155064.db2.gz MOWAWWBHOUYOEZ-CWSCBRNRSA-N -1 3 314.363 0.384 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(-c2ncco2)c1 ZINC000122348036 158220881 /nfs/dbraw/zinc/22/08/81/158220881.db2.gz 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0.171 10 0 DCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000356939974 416009407 /nfs/dbraw/zinc/00/94/07/416009407.db2.gz SQMGMJFAGPGVRY-DZGCQCFKSA-N -1 3 319.361 0.506 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000175358440 416103642 /nfs/dbraw/zinc/10/36/42/416103642.db2.gz OEMFFZWFILKLLX-TUAOUCFPSA-N -1 3 318.395 0.911 10 0 DCAEHM CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2nnn[n-]2)C1 ZINC000616664627 417089546 /nfs/dbraw/zinc/08/95/46/417089546.db2.gz ZYISLAILIMYSRZ-SNVBAGLBSA-N -1 3 312.374 0.140 10 0 DCAEHM CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2nn[n-]n2)C1 ZINC000616664627 417089556 /nfs/dbraw/zinc/08/95/56/417089556.db2.gz ZYISLAILIMYSRZ-SNVBAGLBSA-N -1 3 312.374 0.140 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c(F)c1 ZINC000404972920 417122307 /nfs/dbraw/zinc/12/23/07/417122307.db2.gz SJHRERLAVPUMQT-ZDUSSCGKSA-N -1 3 303.355 0.954 10 0 DCAEHM NC(=O)CC1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000420706347 262381294 /nfs/dbraw/zinc/38/12/94/262381294.db2.gz PWQFYHKBIFOEKJ-UHFFFAOYSA-N -1 3 304.318 0.899 10 0 DCAEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCCOC)[C@H]1CCCOC1 ZINC000358499654 271052859 /nfs/dbraw/zinc/05/28/59/271052859.db2.gz LPUAFTIAIXQKJS-RYUDHWBXSA-N -1 3 323.411 0.301 10 0 DCAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCCOC)[C@@H]1CCCOC1 ZINC000358499655 271052934 /nfs/dbraw/zinc/05/29/34/271052934.db2.gz LPUAFTIAIXQKJS-VXGBXAGGSA-N -1 3 323.411 0.301 10 0 DCAEHM O=C(N[C@H]1CCCC(F)(F)C1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000546143667 288016349 /nfs/dbraw/zinc/01/63/49/288016349.db2.gz WJMOBELUDAZEDH-DTWKUNHWSA-N -1 3 316.308 0.510 10 0 DCAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CCS(=O)(=O)C(C)(C)C2)on1 ZINC000155343258 525207050 /nfs/dbraw/zinc/20/70/50/525207050.db2.gz ALWBJMCMEYAHNK-SNVBAGLBSA-N -1 3 315.395 0.819 10 0 DCAEHM O=C(NCCc1ccccc1Cl)C1CC2(C1)NC(=O)[N-]C2=O ZINC000156121828 526427981 /nfs/dbraw/zinc/42/79/81/526427981.db2.gz ZZYWSAQYKHFLDM-UHFFFAOYSA-N -1 3 321.764 0.987 10 0 DCAEHM CCc1cccc(CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000195005610 545933659 /nfs/dbraw/zinc/93/36/59/545933659.db2.gz KOELBJRSXSIVSV-KRWDZBQOSA-N -1 3 315.373 0.992 10 0 DCAEHM COc1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)nn1C ZINC000357365000 546187863 /nfs/dbraw/zinc/18/78/63/546187863.db2.gz ODKIJDUKGMZPBB-UHFFFAOYSA-N -1 3 313.321 0.785 10 0 DCAEHM COc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)nn1C ZINC000357365000 546187867 /nfs/dbraw/zinc/18/78/67/546187867.db2.gz ODKIJDUKGMZPBB-UHFFFAOYSA-N -1 3 313.321 0.785 10 0 DCAEHM CN(C)c1nc([C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)cc(=O)[n-]1 ZINC000888095373 661165885 /nfs/dbraw/zinc/16/58/85/661165885.db2.gz YZESPMGQMNYJJS-SNVBAGLBSA-N -1 3 316.365 0.530 10 0 DCAEHM CN(C)c1nc([C@@H]2CCN(c3nccc(CO)n3)C2)cc(=O)[n-]1 ZINC000888099202 661178150 /nfs/dbraw/zinc/17/81/50/661178150.db2.gz UMVBUKKHVHMKBR-SNVBAGLBSA-N -1 3 316.365 0.524 10 0 DCAEHM CN1C[C@H](CC[N-]S(=O)(=O)c2cccnc2Cl)CC1=O ZINC000723354616 658643481 /nfs/dbraw/zinc/64/34/81/658643481.db2.gz XOZXWAZRSBPGKA-SECBINFHSA-N -1 3 317.798 0.882 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000702431084 666956275 /nfs/dbraw/zinc/95/62/75/666956275.db2.gz RKTBPYDJCJZNOY-IHRRRGAJSA-N -1 3 305.378 0.425 10 0 DCAEHM CCN1CCO[C@H](C[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000134897390 667556453 /nfs/dbraw/zinc/55/64/53/667556453.db2.gz DHIJXFIRBDJASZ-SNVBAGLBSA-N -1 3 319.814 0.734 10 0 DCAEHM COc1cccc([O-])c1C(=O)NCCCNS(C)(=O)=O ZINC000405218838 1190274874 /nfs/dbraw/zinc/27/48/74/1190274874.db2.gz AJZPGOPXFKPWSK-UHFFFAOYSA-N -1 3 302.352 0.070 10 0 DCAEHM CS(=O)(=O)N1CCC[C@@H](NCc2ccc(C(=O)[O-])s2)C1 ZINC000400183579 774022105 /nfs/dbraw/zinc/02/21/05/774022105.db2.gz BKLZLSPRKUJKNZ-SECBINFHSA-N -1 3 318.420 0.960 10 0 DCAEHM O=S(=O)([N-]CCCN1CCOCC1)c1cccnc1F ZINC000401850359 774068556 /nfs/dbraw/zinc/06/85/56/774068556.db2.gz WLAWQQGJOUZWEN-UHFFFAOYSA-N -1 3 303.359 0.221 10 0 DCAEHM CC(=O)N1CCC([N-]S(=O)(=O)c2cccnc2F)CC1 ZINC000401949827 774072191 /nfs/dbraw/zinc/07/21/91/774072191.db2.gz UCICWNJJMMYDTP-UHFFFAOYSA-N -1 3 301.343 0.510 10 0 DCAEHM C[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@H]1N1CCOCC1 ZINC000173973429 198275170 /nfs/dbraw/zinc/27/51/70/198275170.db2.gz HUFQETAETSPBFZ-IAQYHMDHSA-N -1 3 315.377 0.751 10 0 DCAEHM CCCN(C[C@H]1CCCCO1)C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000329168969 283288764 /nfs/dbraw/zinc/28/87/64/283288764.db2.gz JKINNQZWJAMALI-LLVKDONJSA-N -1 3 309.366 0.907 10 0 DCAEHM Cc1ccc2c(c1)[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@@H](C)C2 ZINC000181113178 199254625 /nfs/dbraw/zinc/25/46/25/199254625.db2.gz JBVDCVXVMFLEOA-BONVTDFDSA-N -1 3 301.346 0.896 10 0 DCAEHM C[C@@H]1CCCN(S(=O)(=O)[N-]Cc2nc(N(C)C)no2)C1 ZINC000188059638 237365641 /nfs/dbraw/zinc/36/56/41/237365641.db2.gz GISRPYBANPVUOJ-SECBINFHSA-N -1 3 303.388 0.202 10 0 DCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000040411419 183063070 /nfs/dbraw/zinc/06/30/70/183063070.db2.gz KLBPAYQMXRONOW-UHFFFAOYSA-N -1 3 320.392 0.096 10 0 DCAEHM O=C1N[C@@H](c2cc([O-])ccc2Br)N2CCOC[C@H]12 ZINC000093884234 296388363 /nfs/dbraw/zinc/38/83/63/296388363.db2.gz NAGJCHFOPVPFPF-GHMZBOCLSA-N -1 3 313.151 0.984 10 0 DCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC(C2CCOCC2)CC1 ZINC000366706788 132009039 /nfs/dbraw/zinc/00/90/39/132009039.db2.gz DRUHCQNATXCFKT-ZDUSSCGKSA-N -1 3 323.393 0.640 10 0 DCAEHM CC(C)C[C@@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)[O-] ZINC000011592554 395686679 /nfs/dbraw/zinc/68/66/79/395686679.db2.gz VGGGPCQERPFHOB-MJBXVCDLSA-N -1 3 308.378 0.533 10 0 DCAEHM CCOc1nc2ccccc2nc1N1CCNC[C@@H]1C(=O)[O-] ZINC000095069707 395740643 /nfs/dbraw/zinc/74/06/43/395740643.db2.gz OAAGJAKJFHWTLS-GFCCVEGCSA-N -1 3 302.334 0.891 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC1(C)COC1 ZINC000112693443 395821348 /nfs/dbraw/zinc/82/13/48/395821348.db2.gz YNOMIBCMRURGEN-VIFPVBQESA-N -1 3 318.420 0.568 10 0 DCAEHM COC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)[O-] ZINC000145038615 395964007 /nfs/dbraw/zinc/96/40/07/395964007.db2.gz IXMYOFVXZDUQBH-RYUDHWBXSA-N -1 3 308.334 0.079 10 0 DCAEHM CO[C@H](C)Cn1cc(I)c(=O)[n-]c1=O ZINC000167756678 396089749 /nfs/dbraw/zinc/08/97/49/396089749.db2.gz FZEBIKHIEOGVOE-RXMQYKEDSA-N -1 3 310.091 0.176 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000171761533 396124693 /nfs/dbraw/zinc/12/46/93/396124693.db2.gz YDDYQKGVPYWUMO-UHFFFAOYSA-N -1 3 312.329 0.604 10 0 DCAEHM O=C1[C@@H]([N-]S(=O)(=O)CCCF)CCCN1c1cccnc1 ZINC000183170906 396264059 /nfs/dbraw/zinc/26/40/59/396264059.db2.gz IGMIDPWDHSQYAB-LBPRGKRZSA-N -1 3 315.370 0.856 10 0 DCAEHM O=C([N-]CCCN1CCC[C@@H](n2cncn2)C1)C(F)(F)F ZINC000180621970 396233588 /nfs/dbraw/zinc/23/35/88/396233588.db2.gz WOXDWWWFOSNQPX-SNVBAGLBSA-N -1 3 305.304 0.984 10 0 DCAEHM C[C@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000282414454 396288730 /nfs/dbraw/zinc/28/87/30/396288730.db2.gz FGMFPLYYCSUIBO-XCBNKYQSSA-N -1 3 304.318 0.910 10 0 DCAEHM C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)CCC1=O ZINC000186541377 396351946 /nfs/dbraw/zinc/35/19/46/396351946.db2.gz LBOGOUORHCDJFZ-VIFPVBQESA-N -1 3 316.404 0.464 10 0 DCAEHM Cc1cccc(C(=O)NCCCN2CCCS2(=O)=O)c1[O-] ZINC000586762987 396663619 /nfs/dbraw/zinc/66/36/19/396663619.db2.gz DYJBUNRZTVBOMS-UHFFFAOYSA-N -1 3 312.391 0.856 10 0 DCAEHM CCN1CCN(C(=O)c2cc(C)nc(=O)[n-]2)C[C@H]1c1ncc[nH]1 ZINC000328627151 396825469 /nfs/dbraw/zinc/82/54/69/396825469.db2.gz MLNZUBKGDWRKMF-LBPRGKRZSA-N -1 3 316.365 0.733 10 0 DCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@](C)(CO)OC ZINC000594484323 397561113 /nfs/dbraw/zinc/56/11/13/397561113.db2.gz IOGXBNNKRXVMJI-LLVKDONJSA-N -1 3 323.392 0.210 10 0 DCAEHM C[C@@H](O)CCNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000080115254 158079952 /nfs/dbraw/zinc/07/99/52/158079952.db2.gz WNVJQOAAQRYILD-SECBINFHSA-N -1 3 306.409 0.304 10 0 DCAEHM NC(=O)C[C@@H](N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000094573752 158122221 /nfs/dbraw/zinc/12/22/21/158122221.db2.gz IKYNYHAKIUCOBG-ZCFIWIBFSA-N -1 3 302.128 0.296 10 0 DCAEHM CN(Cc1ccc(Cl)c(F)c1)C(=O)CN1CC(=O)[N-]C1=O ZINC000124593595 158243366 /nfs/dbraw/zinc/24/33/66/158243366.db2.gz OIZNIKDEZRAREQ-UHFFFAOYSA-N -1 3 313.716 0.989 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](O)C(C)C ZINC000126258971 158263325 /nfs/dbraw/zinc/26/33/25/158263325.db2.gz UTCAHPXQFXUGBV-JTQLQIEISA-N -1 3 319.379 0.978 10 0 DCAEHM O=S(=O)(c1ccc([O-])cc1)N1CCC(OCCO)CC1 ZINC000129128653 158286308 /nfs/dbraw/zinc/28/63/08/158286308.db2.gz ATMIJVDFKPOZAN-UHFFFAOYSA-N -1 3 301.364 0.554 10 0 DCAEHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCS(=O)(=O)C1 ZINC000136129729 158341889 /nfs/dbraw/zinc/34/18/89/158341889.db2.gz MLZHBFMKPUUKML-SECBINFHSA-N -1 3 303.767 0.891 10 0 DCAEHM CCC[C@H]([N-]S(=O)(=O)C1COC1)c1nnc2ccccn21 ZINC000330227513 159152616 /nfs/dbraw/zinc/15/26/16/159152616.db2.gz UZSVLUPIQGZOQB-NSHDSACASA-N -1 3 310.379 0.889 10 0 DCAEHM Cc1ccc(N2C[C@H](C(=O)[N-]OCC(N)=O)CCC2=O)cc1C ZINC000367399990 159336506 /nfs/dbraw/zinc/33/65/06/159336506.db2.gz BWCRDTHQGKZIAR-GFCCVEGCSA-N -1 3 319.361 0.580 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000408097126 160035123 /nfs/dbraw/zinc/03/51/23/160035123.db2.gz IXALWXMBESZEIY-JTQLQIEISA-N -1 3 322.408 0.290 10 0 DCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000408453467 160111955 /nfs/dbraw/zinc/11/19/55/160111955.db2.gz RVDDPYWQEBPRFC-MRXNPFEDSA-N -1 3 317.345 0.703 10 0 DCAEHM O=C(N[C@@H]1CCOC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000178952821 287055275 /nfs/dbraw/zinc/05/52/75/287055275.db2.gz HVTZKURCNLVTOQ-DGCLKSJQSA-N -1 3 304.346 0.902 10 0 DCAEHM CCC(=O)N(C)[C@H](C)C1=CCN(Cc2cc(=O)[n-]c(=O)[nH]2)CC1 ZINC000067677655 415377824 /nfs/dbraw/zinc/37/78/24/415377824.db2.gz ONEGNPXKLWYZKX-LLVKDONJSA-N -1 3 320.393 0.452 10 0 DCAEHM C/C=C\C[C@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)OCC ZINC000357145484 416037464 /nfs/dbraw/zinc/03/74/64/416037464.db2.gz BWZVDUAWJDSFAD-XOIDGJRKSA-N -1 3 315.395 0.905 10 0 DCAEHM CN1CCN(C(=O)c2ccc3n[n-]nc3c2)C[C@H]1c1ncc[nH]1 ZINC000328616807 416123793 /nfs/dbraw/zinc/12/37/93/416123793.db2.gz CBRXLJMRMLMTJD-ZDUSSCGKSA-N -1 3 311.349 0.810 10 0 DCAEHM COc1nnc(NC(=O)CNC(=O)CCc2ccc(C)cc2)[n-]1 ZINC000179370683 416187220 /nfs/dbraw/zinc/18/72/20/416187220.db2.gz ASWUIUULKJCAPV-UHFFFAOYSA-N -1 3 317.349 0.809 10 0 DCAEHM COc1nc(NC(=O)CNC(=O)CCc2ccc(C)cc2)n[n-]1 ZINC000179370683 416187224 /nfs/dbraw/zinc/18/72/24/416187224.db2.gz ASWUIUULKJCAPV-UHFFFAOYSA-N -1 3 317.349 0.809 10 0 DCAEHM COc1n[n-]c(NC(=O)CNC(=O)CCc2ccc(C)cc2)n1 ZINC000179370683 416187225 /nfs/dbraw/zinc/18/72/25/416187225.db2.gz ASWUIUULKJCAPV-UHFFFAOYSA-N -1 3 317.349 0.809 10 0 DCAEHM Cc1nn(-c2ccccc2)cc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000181243429 416204888 /nfs/dbraw/zinc/20/48/88/416204888.db2.gz PRYKCBDMSBZGNG-UHFFFAOYSA-N -1 3 313.317 0.671 10 0 DCAEHM O=C(/C=C/c1cncc([O-])c1)N1CC[C@H](N2CCOCC2)C1 ZINC000182055128 416213163 /nfs/dbraw/zinc/21/31/63/416213163.db2.gz QYOXQUPXKBPJAB-YUKKFKLSSA-N -1 3 303.362 0.734 10 0 DCAEHM CC(C)NC(=O)NC(=O)[C@@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262051766 416336064 /nfs/dbraw/zinc/33/60/64/416336064.db2.gz AKNSJXUDHPXTMH-JRPNMDOOSA-N -1 3 311.382 0.796 10 0 DCAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H](CO)C2CC2)c([O-])c1 ZINC000436618299 416565548 /nfs/dbraw/zinc/56/55/48/416565548.db2.gz KTPVRZYWFFMBNL-ZDUSSCGKSA-N -1 3 320.389 0.955 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000436715914 416567462 /nfs/dbraw/zinc/56/74/62/416567462.db2.gz MQSMWXSZFFFBJV-MNOVXSKESA-N -1 3 322.361 0.887 10 0 DCAEHM CC(=O)C1([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1 ZINC000632447027 417094329 /nfs/dbraw/zinc/09/43/29/417094329.db2.gz VFJWKGABNNKJQB-UHFFFAOYSA-N -1 3 311.285 0.839 10 0 DCAEHM Cc1cccc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c1F ZINC000404175049 417118461 /nfs/dbraw/zinc/11/84/61/417118461.db2.gz HGAWHVIDTYTUGE-ZDUSSCGKSA-N -1 3 303.355 0.954 10 0 DCAEHM CC(C)c1ccc(C(=O)NC[C@H](O)Cn2ccnn2)c([O-])c1 ZINC000458138707 417726232 /nfs/dbraw/zinc/72/62/32/417726232.db2.gz MJPSBYIQQNPBHU-LBPRGKRZSA-N -1 3 304.350 0.898 10 0 DCAEHM Cc1cccc2ncc(CN3CCC[C@@]4(C3)NC(=O)[N-]C4=O)n21 ZINC000363665691 262126488 /nfs/dbraw/zinc/12/64/88/262126488.db2.gz OYUNAEOAVNLPKA-INIZCTEOSA-N -1 3 313.361 0.817 10 0 DCAEHM Cc1nc(CN2CCN(C(=O)c3ncccc3[O-])CC2)n[nH]1 ZINC000547976345 288097507 /nfs/dbraw/zinc/09/75/07/288097507.db2.gz DJRRVFXMCQVVJC-UHFFFAOYSA-N -1 3 302.338 0.172 10 0 DCAEHM C[C@@H]1CN(C)c2ccccc2CN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000152596690 288108204 /nfs/dbraw/zinc/10/82/04/288108204.db2.gz FPHXJNUOUMCPDR-PWSUYJOCSA-N -1 3 316.361 0.452 10 0 DCAEHM CCc1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1[O-] ZINC000583604614 335772087 /nfs/dbraw/zinc/77/20/87/335772087.db2.gz WICMHCLPXIZOGJ-INIZCTEOSA-N -1 3 317.345 0.769 10 0 DCAEHM COC[C@H](O)CC[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000130356554 522780239 /nfs/dbraw/zinc/78/02/39/522780239.db2.gz CHYSXDYVIVHHES-MRVPVSSYSA-N -1 3 311.791 0.058 10 0 DCAEHM Cc1nc(C)c([C@H](C)N(C)C(=O)C[C@@H]2NC(=O)[N-]C2=O)s1 ZINC000155671830 526749228 /nfs/dbraw/zinc/74/92/28/526749228.db2.gz LWNQZCFQTXYFPU-CBAPKCEASA-N -1 3 310.379 0.877 10 0 DCAEHM O=S(=O)([N-][C@@H]1CNOC1)c1ccc(Br)s1 ZINC000722488082 661273453 /nfs/dbraw/zinc/27/34/53/661273453.db2.gz ZXOFFJOTFUXLFC-RXMQYKEDSA-N -1 3 313.198 0.692 10 0 DCAEHM CN1C[C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1=O ZINC000723350827 658642317 /nfs/dbraw/zinc/64/23/17/658642317.db2.gz FZBSNXAVIVDZMO-ZETCQYMHSA-N -1 3 321.761 0.631 10 0 DCAEHM Cc1nccn1CCCNC(=O)Cc1nc(C)[n-]c(=O)c1C ZINC000222933940 664395737 /nfs/dbraw/zinc/39/57/37/664395737.db2.gz HTNFKPCWPADUFQ-UHFFFAOYSA-N -1 3 303.366 0.641 10 0 DCAEHM O=c1[n-]c(=O)n(Cc2cnn(-c3ccccc3)n2)cc1Cl ZINC000174125606 664636062 /nfs/dbraw/zinc/63/60/62/664636062.db2.gz RQCUJLNNJOGCBB-UHFFFAOYSA-N -1 3 303.709 0.819 10 0 DCAEHM CO[C@@H](C(=O)[O-])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000713191263 670153792 /nfs/dbraw/zinc/15/37/92/670153792.db2.gz QZHFILOKLOGQPM-UONOGXRCSA-N -1 3 306.362 0.867 10 0 DCAEHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@@H](n2cncn2)C1 ZINC000111613382 671270144 /nfs/dbraw/zinc/27/01/44/671270144.db2.gz VOLPDGOBPHLWQG-LLVKDONJSA-N -1 3 324.344 0.992 10 0 DCAEHM Cn1ncc(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000389862576 685258602 /nfs/dbraw/zinc/25/86/02/685258602.db2.gz FETWPPXQFALJSU-UHFFFAOYSA-N -1 3 322.177 0.995 10 0 DCAEHM O=C1CC[C@H]([N-]S(=O)(=O)c2cccnc2Cl)CCN1 ZINC000396741101 685270962 /nfs/dbraw/zinc/27/09/62/685270962.db2.gz QCMOSZHOUKBKGS-QMMMGPOBSA-N -1 3 303.771 0.682 10 0 DCAEHM Cc1nc(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)n[nH]1 ZINC000392559939 1190701185 /nfs/dbraw/zinc/70/11/85/1190701185.db2.gz KQBKKWMAFJQGCL-UHFFFAOYSA-N -1 3 305.722 0.779 10 0 DCAEHM CCCN(C[C@@H]1CCCCO1)C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000329168970 283278117 /nfs/dbraw/zinc/27/81/17/283278117.db2.gz JKINNQZWJAMALI-NSHDSACASA-N -1 3 309.366 0.907 10 0 DCAEHM NC(=S)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000061886682 184191922 /nfs/dbraw/zinc/19/19/22/184191922.db2.gz YBYFXUCAXHUPLC-VHSXEESVSA-N -1 3 303.384 0.954 10 0 DCAEHM O=C1N[C@H](c2cc([O-])ccc2Br)N2CCOC[C@H]12 ZINC000093884235 296394627 /nfs/dbraw/zinc/39/46/27/296394627.db2.gz NAGJCHFOPVPFPF-MNOVXSKESA-N -1 3 313.151 0.984 10 0 DCAEHM C[C@@H]1CCCN(S(=O)(=O)[N-]CC(=O)Nc2cccnc2)C1 ZINC000101580888 395765554 /nfs/dbraw/zinc/76/55/54/395765554.db2.gz QPCBJRHOTOXBKM-LLVKDONJSA-N -1 3 312.395 0.586 10 0 DCAEHM O=S(=O)([N-][C@H]1CCc2ncnn2C1)c1ccc(Cl)nc1 ZINC000113298507 395829408 /nfs/dbraw/zinc/82/94/08/395829408.db2.gz ORVFHUVXUHWJHG-QMMMGPOBSA-N -1 3 313.770 0.620 10 0 DCAEHM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)[N-]Cc1ncc(C)o1 ZINC000234620950 395890305 /nfs/dbraw/zinc/89/03/05/395890305.db2.gz MHZNLRXKWHGIPY-NXEZZACHSA-N -1 3 302.352 0.744 10 0 DCAEHM CN(C)c1cccc(CN(C)C(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000125934766 395908599 /nfs/dbraw/zinc/90/85/99/395908599.db2.gz HESDJEMXNBRGHL-UHFFFAOYSA-N -1 3 304.350 0.263 10 0 DCAEHM Cc1cc([N-]C(=O)[C@H](C)N2CCS(=O)(=O)C(C)(C)C2)on1 ZINC000155343329 396050582 /nfs/dbraw/zinc/05/05/82/396050582.db2.gz ALWBJMCMEYAHNK-JTQLQIEISA-N -1 3 315.395 0.819 10 0 DCAEHM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000277636309 396079292 /nfs/dbraw/zinc/07/92/92/396079292.db2.gz JRYFVEOJZDFTAM-MRVPVSSYSA-N -1 3 318.782 0.809 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCN2C)c(C)o1 ZINC000176062869 396149184 /nfs/dbraw/zinc/14/91/84/396149184.db2.gz VGJORBUEGORHTA-JTQLQIEISA-N -1 3 315.395 0.320 10 0 DCAEHM O=C(CCCc1cccs1)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000083856633 396317269 /nfs/dbraw/zinc/31/72/69/396317269.db2.gz VMWFTENETIVGPO-AWEZNQCLSA-N -1 3 307.375 0.881 10 0 DCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCNC1=O ZINC000594790451 396516038 /nfs/dbraw/zinc/51/60/38/396516038.db2.gz JKKDHJSTARYPJE-SSDOTTSWSA-N -1 3 318.376 0.010 10 0 DCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CNCC[C@H]2C)o1 ZINC000193409224 396450860 /nfs/dbraw/zinc/45/08/60/396450860.db2.gz LELOLZDVSQSZRR-ZJUUUORDSA-N -1 3 316.379 0.733 10 0 DCAEHM CCO[C@H]1C[C@H]1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291471039 396492445 /nfs/dbraw/zinc/49/24/45/396492445.db2.gz FEBJBIIPCWUDKP-OQPBUACISA-N -1 3 305.334 0.946 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000374912090 396697323 /nfs/dbraw/zinc/69/73/23/396697323.db2.gz DCPFCSYACMHWKI-GFCCVEGCSA-N -1 3 321.308 0.357 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1[O-] ZINC000614191026 397395978 /nfs/dbraw/zinc/39/59/78/397395978.db2.gz XLVDWBPSVGJEMC-MRXNPFEDSA-N -1 3 302.330 0.947 10 0 DCAEHM CCO[C@H]1C[C@]([N-]S(=O)(=O)NC2CC2)(C(=O)OC)C1(C)C ZINC000444275422 397415556 /nfs/dbraw/zinc/41/55/56/397415556.db2.gz CLNSGBRREGFJSR-GWCFXTLKSA-N -1 3 320.411 0.320 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(O)CC1 ZINC000119850955 158191415 /nfs/dbraw/zinc/19/14/15/158191415.db2.gz NEQVEGXWNOIJLW-AWEZNQCLSA-N -1 3 318.373 0.980 10 0 DCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@H]1C)C(C)C ZINC000408237976 160066949 /nfs/dbraw/zinc/06/69/49/160066949.db2.gz SGMMDRKZORBJPJ-VWYCJHECSA-N -1 3 308.400 0.128 10 0 DCAEHM C[C@@H]1CC[C@H](C(=O)NCC[N-]S(=O)(=O)c2cccs2)O1 ZINC000133211292 287009626 /nfs/dbraw/zinc/00/96/26/287009626.db2.gz VTNGOAMLRQWMRD-NXEZZACHSA-N -1 3 318.420 0.710 10 0 DCAEHM Cn1c2cccc(Cl)c2nc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000185838786 287057325 /nfs/dbraw/zinc/05/73/25/287057325.db2.gz NJZIQKMNCAAPNG-UHFFFAOYSA-N -1 3 321.724 0.717 10 0 DCAEHM COCCN(C)CCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000171099106 416036047 /nfs/dbraw/zinc/03/60/47/416036047.db2.gz DGFDZJNEPUVEMX-UHFFFAOYSA-N -1 3 304.350 0.231 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N1CCN3CCCC[C@@H]3C1)c2[O-] ZINC000179459291 416188404 /nfs/dbraw/zinc/18/84/04/416188404.db2.gz KKXQPQPEHVVUNZ-LLVKDONJSA-N -1 3 315.377 0.984 10 0 DCAEHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)s1 ZINC000179935439 416194540 /nfs/dbraw/zinc/19/45/40/416194540.db2.gz BBGSAGZBKLYLEV-LBPRGKRZSA-N -1 3 320.436 0.827 10 0 DCAEHM C[C@H]1C[C@H](c2cccnc2)N(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000182212692 416215971 /nfs/dbraw/zinc/21/59/71/416215971.db2.gz FPDTYSQGYDGMPE-CMPLNLGQSA-N -1 3 302.334 0.543 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC(C)(C)CO ZINC000182430181 416223366 /nfs/dbraw/zinc/22/33/66/416223366.db2.gz GSRCTKSYFBBQPH-VIFPVBQESA-N -1 3 318.370 0.380 10 0 DCAEHM CCC(CC)[C@@H](C(=O)Nc1nnc(OC)[n-]1)N1CCOCC1 ZINC000183002786 416235370 /nfs/dbraw/zinc/23/53/70/416235370.db2.gz JWKRUVSOUJDFRR-NSHDSACASA-N -1 3 311.386 0.889 10 0 DCAEHM CCC(CC)[C@@H](C(=O)Nc1n[n-]c(OC)n1)N1CCOCC1 ZINC000183002786 416235375 /nfs/dbraw/zinc/23/53/75/416235375.db2.gz JWKRUVSOUJDFRR-NSHDSACASA-N -1 3 311.386 0.889 10 0 DCAEHM CCC(CC)[C@@H](C(=O)Nc1nc(OC)n[n-]1)N1CCOCC1 ZINC000183002786 416235380 /nfs/dbraw/zinc/23/53/80/416235380.db2.gz JWKRUVSOUJDFRR-NSHDSACASA-N -1 3 311.386 0.889 10 0 DCAEHM CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000192599912 416308868 /nfs/dbraw/zinc/30/88/68/416308868.db2.gz PHNMSARRZDIWAR-AWEZNQCLSA-N -1 3 317.389 0.771 10 0 DCAEHM CN(C)C[C@H](NC(=O)C(=O)[N-]c1cnns1)c1ccccc1 ZINC000191973106 416294265 /nfs/dbraw/zinc/29/42/65/416294265.db2.gz XZYFPDIDDUBGLH-NSHDSACASA-N -1 3 319.390 0.896 10 0 DCAEHM CCn1nncc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000459368891 416536553 /nfs/dbraw/zinc/53/65/53/416536553.db2.gz DNDWBNFWEODCLQ-UHFFFAOYSA-N -1 3 315.377 0.962 10 0 DCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436821582 416571353 /nfs/dbraw/zinc/57/13/53/416571353.db2.gz LSSYMGMKYMKNDN-GHMZBOCLSA-N -1 3 322.361 0.887 10 0 DCAEHM CCOC(=O)[C@@H]1CN(Cc2nc(CC)cc(=O)[n-]2)CC12COC2 ZINC000451141681 417306116 /nfs/dbraw/zinc/30/61/16/417306116.db2.gz VRVWIBOREWBXRC-LBPRGKRZSA-N -1 3 321.377 0.756 10 0 DCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000316855140 261175255 /nfs/dbraw/zinc/17/52/55/261175255.db2.gz IDSIFYFXFLRQLM-UBHSHLNASA-N -1 3 324.402 0.901 10 0 DCAEHM NC(=O)c1nn[n-]c1NC(=O)c1csc(Br)c1 ZINC000362418813 262032834 /nfs/dbraw/zinc/03/28/34/262032834.db2.gz AWVPIGFCJFPJCO-UHFFFAOYSA-N -1 3 316.140 0.980 10 0 DCAEHM NC(=O)c1[n-]nnc1NC(=O)c1csc(Br)c1 ZINC000362418813 262032836 /nfs/dbraw/zinc/03/28/36/262032836.db2.gz AWVPIGFCJFPJCO-UHFFFAOYSA-N -1 3 316.140 0.980 10 0 DCAEHM NC(=O)c1n[n-]nc1NC(=O)c1csc(Br)c1 ZINC000362418813 262032837 /nfs/dbraw/zinc/03/28/37/262032837.db2.gz AWVPIGFCJFPJCO-UHFFFAOYSA-N -1 3 316.140 0.980 10 0 DCAEHM C[C@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@@H]1N1CCOCC1 ZINC000173973418 278414335 /nfs/dbraw/zinc/41/43/35/278414335.db2.gz HUFQETAETSPBFZ-NHYWBVRUSA-N -1 3 315.377 0.751 10 0 DCAEHM COCCN1CCN(C(=O)c2cccc3[n-]nnc32)C[C@@H]1C ZINC000188047351 333019363 /nfs/dbraw/zinc/01/93/63/333019363.db2.gz WKQMSXFJAWRTTJ-NSHDSACASA-N -1 3 303.366 0.751 10 0 DCAEHM COCCN1CCN(C(=O)c2cccc3nn[n-]c32)C[C@@H]1C ZINC000188047351 333019364 /nfs/dbraw/zinc/01/93/64/333019364.db2.gz WKQMSXFJAWRTTJ-NSHDSACASA-N -1 3 303.366 0.751 10 0 DCAEHM COCCN1CCN(C(=O)c2cccc3n[n-]nc32)C[C@@H]1C ZINC000188047351 333019365 /nfs/dbraw/zinc/01/93/65/333019365.db2.gz WKQMSXFJAWRTTJ-NSHDSACASA-N -1 3 303.366 0.751 10 0 DCAEHM NS(=O)(=O)c1cccc(C2=CCCOC2)c1-c1nnn[n-]1 ZINC000584597084 337374320 /nfs/dbraw/zinc/37/43/20/337374320.db2.gz YIYYBRHHRAIYIM-UHFFFAOYSA-N -1 3 307.335 0.318 10 0 DCAEHM CCc1ncc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)s1 ZINC000575826930 341807240 /nfs/dbraw/zinc/80/72/40/341807240.db2.gz OMABGXYYXVXYQJ-CYBMUJFWSA-N -1 3 308.363 0.520 10 0 DCAEHM CN(C)c1ccc(Cl)cc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000134690611 522218264 /nfs/dbraw/zinc/21/82/64/522218264.db2.gz XOHQVWLIIVLQJV-UHFFFAOYSA-N -1 3 310.741 0.896 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)c1ccco1 ZINC000245423894 522757977 /nfs/dbraw/zinc/75/79/77/522757977.db2.gz RMEVDAYZZYIYCZ-TUAOUCFPSA-N -1 3 318.395 0.911 10 0 DCAEHM CC(=O)[C@](C)(O)CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000330875951 527154719 /nfs/dbraw/zinc/15/47/19/527154719.db2.gz WROCGGRPBAQZRW-MRXNPFEDSA-N -1 3 306.362 0.490 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1[O-] ZINC000331314201 527244439 /nfs/dbraw/zinc/24/44/39/527244439.db2.gz CPAFPDDANBUABO-LLVKDONJSA-N -1 3 306.362 0.733 10 0 DCAEHM O=S(=O)([N-][C@H]1CCOC[C@H]1O)c1cnc(Cl)c(F)c1 ZINC000707057147 667430924 /nfs/dbraw/zinc/43/09/24/667430924.db2.gz QHJQQWOQONVGLA-DTWKUNHWSA-N -1 3 310.734 0.302 10 0 DCAEHM NC(=O)[C@@H]1CCC[C@H](NC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000130246549 669599467 /nfs/dbraw/zinc/59/94/67/669599467.db2.gz CQFDORWCTXBPNC-RPHWRIDRSA-N -1 3 313.357 0.931 10 0 DCAEHM O=c1ccc(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)n[nH]1 ZINC000392791631 1157736853 /nfs/dbraw/zinc/73/68/53/1157736853.db2.gz OXHNQINPBIGJNL-UHFFFAOYSA-N -1 3 318.717 0.848 10 0 DCAEHM O=C(CCC[N-]S(=O)(=O)c1cccnc1F)NC1CC1 ZINC000401854144 774068456 /nfs/dbraw/zinc/06/84/56/774068456.db2.gz MMXJZBVIEZNJGU-UHFFFAOYSA-N -1 3 301.343 0.558 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)NCCCCC(=O)[O-] ZINC000702403301 950229569 /nfs/dbraw/zinc/22/95/69/950229569.db2.gz VCCOPUUJRQHNBB-AWEZNQCLSA-N -1 3 307.394 0.817 10 0 DCAEHM COC[C@]1(C(=O)[O-])CCN(CC2(CS(C)(=O)=O)CC2)C1 ZINC000696833181 954819480 /nfs/dbraw/zinc/81/94/80/954819480.db2.gz QPIIDSGYFCGFLU-ZDUSSCGKSA-N -1 3 305.396 0.234 10 0 DCAEHM O=C([O-])CC[C@H]1CCCN(CCN2CCCS2(=O)=O)C1 ZINC000695041399 968955025 /nfs/dbraw/zinc/95/50/25/968955025.db2.gz WOWWHCTWABUVTQ-GFCCVEGCSA-N -1 3 304.412 0.599 10 0 DCAEHM C[C@@H]1CN(C)c2ccccc2N(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000174058779 198286615 /nfs/dbraw/zinc/28/66/15/198286615.db2.gz UNOSKPVZGXIGRB-LLVKDONJSA-N -1 3 316.361 0.657 10 0 DCAEHM O=C(C/C=C\c1cccc(F)c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000427692216 291260875 /nfs/dbraw/zinc/26/08/75/291260875.db2.gz JHRLOKQCKHFYTL-LSYFEZSPSA-N -1 3 317.320 0.992 10 0 DCAEHM O=C(C/C=C\c1cccc(F)c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000427692217 291260889 /nfs/dbraw/zinc/26/08/89/291260889.db2.gz JHRLOKQCKHFYTL-QDOCKXBDSA-N -1 3 317.320 0.992 10 0 DCAEHM Cc1c([O-])ccc2c(CN3CCOC[C@H]3C(N)=O)cc(=O)oc12 ZINC000092229957 193177348 /nfs/dbraw/zinc/17/73/48/193177348.db2.gz IKGLPLHCASSDCV-LBPRGKRZSA-N -1 3 318.329 0.493 10 0 DCAEHM C[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)N1CCc2ccccc21 ZINC000042726547 183302799 /nfs/dbraw/zinc/30/27/99/183302799.db2.gz XCLANHOKVNOSJF-PWSUYJOCSA-N -1 3 316.361 0.152 10 0 DCAEHM COc1cccc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1[O-] ZINC000284495853 131085929 /nfs/dbraw/zinc/08/59/29/131085929.db2.gz NGCVLLKIUXJQPO-QWHCGFSZSA-N -1 3 306.362 0.946 10 0 DCAEHM COc1cccc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1[O-] ZINC000284495850 131086331 /nfs/dbraw/zinc/08/63/31/131086331.db2.gz NGCVLLKIUXJQPO-OLZOCXBDSA-N -1 3 306.362 0.946 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC1(CO)CC1 ZINC000167189222 396089596 /nfs/dbraw/zinc/08/95/96/396089596.db2.gz ZXBFAAJHMPLRQJ-UHFFFAOYSA-N -1 3 317.363 0.734 10 0 DCAEHM O=C([O-])c1ccc2c(c1)[nH]c(=O)n(CCN1CCCC1)c2=O ZINC000070460611 396101889 /nfs/dbraw/zinc/10/18/89/396101889.db2.gz GTJHTJYAQXBDPI-UHFFFAOYSA-N -1 3 303.318 0.484 10 0 DCAEHM Cc1ccc([O-])c(C(=O)N2CCCN(CC(=O)N(C)C)CC2)c1 ZINC000076361276 396202029 /nfs/dbraw/zinc/20/20/29/396202029.db2.gz ZKIYVRIOXMFRRM-UHFFFAOYSA-N -1 3 319.405 0.937 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C/C=C/CO ZINC000594820184 396521674 /nfs/dbraw/zinc/52/16/74/396521674.db2.gz UCOVCMOIOAZHAZ-SNAWJCMRSA-N -1 3 303.336 0.510 10 0 DCAEHM CC(=O)c1ccc(C(=O)N(C)CC(=O)N2CCNCC2)cc1[O-] ZINC000581128318 396527887 /nfs/dbraw/zinc/52/78/87/396527887.db2.gz RYKSFUYCWHQMLJ-UHFFFAOYSA-N -1 3 319.361 0.099 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCn3ccnc3C2)cn1C ZINC000328630040 396827353 /nfs/dbraw/zinc/82/73/53/396827353.db2.gz PKHJKVGGJLQIHJ-LLVKDONJSA-N -1 3 309.395 0.466 10 0 DCAEHM O=S(=O)([N-][C@H]1CCOC[C@@H]1O)c1ccc(F)cc1Cl ZINC000625598872 396943885 /nfs/dbraw/zinc/94/38/85/396943885.db2.gz VIHGYWCUWSMZDD-UWVGGRQHSA-N -1 3 309.746 0.907 10 0 DCAEHM Cc1ccc([O-])c(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 ZINC000618681649 397012850 /nfs/dbraw/zinc/01/28/50/397012850.db2.gz PVGGRHKLVQYFLF-LLVKDONJSA-N -1 3 312.391 0.807 10 0 DCAEHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000630575426 397050459 /nfs/dbraw/zinc/05/04/59/397050459.db2.gz ZHNCDNKGBQXCNR-ZIAGYGMSSA-N -1 3 307.394 0.767 10 0 DCAEHM C[C@@H](C(=O)[O-])N(C(=O)[C@@H](N)CN(C)Cc1ccccc1)C1CC1 ZINC000630574441 397050951 /nfs/dbraw/zinc/05/09/51/397050951.db2.gz PPCHGWIQZNFFIP-WFASDCNBSA-N -1 3 319.405 0.910 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-][C@H]2CCNC(=O)CC2)nc1C ZINC000396675106 397310334 /nfs/dbraw/zinc/31/03/34/397310334.db2.gz BNQWYPQZNHJOAJ-SNVBAGLBSA-N -1 3 300.384 0.158 10 0 DCAEHM O=C1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)CCN1 ZINC000396696574 397310816 /nfs/dbraw/zinc/31/08/16/397310816.db2.gz GNQJZCMZGYHNMS-VIFPVBQESA-N -1 3 304.318 0.912 10 0 DCAEHM Cc1nc2ccccn2c1CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000578836821 397490081 /nfs/dbraw/zinc/49/00/81/397490081.db2.gz GDYGHDAJKVUONP-INIZCTEOSA-N -1 3 313.361 0.817 10 0 DCAEHM COCCn1cc([N-]S(=O)(=O)N2CCC[C@@H](C)C2)cn1 ZINC000078237913 158071608 /nfs/dbraw/zinc/07/16/08/158071608.db2.gz WXJLURUBDQEBOW-LLVKDONJSA-N -1 3 302.400 0.918 10 0 DCAEHM O=C(Cc1ccc(Cl)cc1)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000083856845 158088643 /nfs/dbraw/zinc/08/86/43/158088643.db2.gz MHZJXQKESDHYER-CQSZACIVSA-N -1 3 307.737 0.693 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000092910344 158117506 /nfs/dbraw/zinc/11/75/06/158117506.db2.gz BFOGZXCHHTVIGW-GXTWGEPZSA-N -1 3 307.375 0.840 10 0 DCAEHM COCCS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O ZINC000114500525 158154660 /nfs/dbraw/zinc/15/46/60/158154660.db2.gz JCLPMHAXUTVROR-ZDUSSCGKSA-N -1 3 312.391 0.748 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCCc1c[nH]c2ccccc12 ZINC000155702168 158350945 /nfs/dbraw/zinc/35/09/45/158350945.db2.gz ZHYOITMCHKRDKQ-ZDUSSCGKSA-N -1 3 314.345 0.815 10 0 DCAEHM O=C(C[C@H]1CCCCC(=O)N1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000328644465 159016842 /nfs/dbraw/zinc/01/68/42/159016842.db2.gz GPXMSZQEDOOHLG-NXEZZACHSA-N -1 3 308.338 0.879 10 0 DCAEHM O=C(C[C@H]1CCCCNC1=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329273209 159078497 /nfs/dbraw/zinc/07/84/97/159078497.db2.gz IWXJAFGWIANOMA-NXEZZACHSA-N -1 3 308.338 0.736 10 0 DCAEHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cncc(F)c1 ZINC000408392346 160099116 /nfs/dbraw/zinc/09/91/16/160099116.db2.gz HTGLUVXLQPRBSL-NSHDSACASA-N -1 3 311.342 0.934 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2nnc3n2CCCC3)cn1C ZINC000121790343 286956224 /nfs/dbraw/zinc/95/62/24/286956224.db2.gz QGNNPDKDFFLOJZ-VIFPVBQESA-N -1 3 324.410 0.696 10 0 DCAEHM Cn1c2cccc(Cl)c2nc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000185832141 287057136 /nfs/dbraw/zinc/05/71/36/287057136.db2.gz FGXWDDGCMVOGGG-ZETCQYMHSA-N -1 3 321.724 0.763 10 0 DCAEHM C[C@H]1COCCN1C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000267026925 415141358 /nfs/dbraw/zinc/14/13/58/415141358.db2.gz DBWYGIIUSBTDPD-QFYYESIMSA-N -1 3 317.345 0.602 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2CCO[C@H](Cn3cccn3)C2)n1 ZINC000120146694 415757463 /nfs/dbraw/zinc/75/74/63/415757463.db2.gz DEXYIDBKRLRQNP-ZDUSSCGKSA-N -1 3 303.366 0.842 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)C[S@](C)=O ZINC000183206037 416238938 /nfs/dbraw/zinc/23/89/38/416238938.db2.gz ZMKAFJDPJXGRKZ-HQRLLJBISA-N -1 3 313.832 0.427 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccnnc2)ccc1F ZINC000359193534 416311593 /nfs/dbraw/zinc/31/15/93/416311593.db2.gz NLBVXZVYUFHKGZ-UHFFFAOYSA-N -1 3 310.310 0.776 10 0 DCAEHM CN(CCCO)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000442996610 416724338 /nfs/dbraw/zinc/72/43/38/416724338.db2.gz XARQHZRZXQVFMW-HNNXBMFYSA-N -1 3 305.334 0.196 10 0 DCAEHM CCO[C@H]1C[C@]([N-]S(=O)(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444286198 416830590 /nfs/dbraw/zinc/83/05/90/416830590.db2.gz MHSIYAPSPFHOCH-CABZTGNLSA-N -1 3 308.400 0.129 10 0 DCAEHM CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2nnn[n-]2)C1 ZINC000616664818 417089077 /nfs/dbraw/zinc/08/90/77/417089077.db2.gz ZYISLAILIMYSRZ-JTQLQIEISA-N -1 3 312.374 0.140 10 0 DCAEHM CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2nn[n-]n2)C1 ZINC000616664818 417089087 /nfs/dbraw/zinc/08/90/87/417089087.db2.gz ZYISLAILIMYSRZ-JTQLQIEISA-N -1 3 312.374 0.140 10 0 DCAEHM CN1C(=O)NC2(CCN(C(=O)c3cccc([O-])c3)CC2)C1=O ZINC000357350683 261530307 /nfs/dbraw/zinc/53/03/07/261530307.db2.gz ANGBBZAUUIZCQJ-UHFFFAOYSA-N -1 3 303.318 0.549 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CCn3nnc(CO)c3C2)cc1[O-] ZINC000574926667 332851474 /nfs/dbraw/zinc/85/14/74/332851474.db2.gz JWPFAWFRKTZNAK-UHFFFAOYSA-N -1 3 316.317 0.335 10 0 DCAEHM Cc1csc(CCCCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000131336392 526336104 /nfs/dbraw/zinc/33/61/04/526336104.db2.gz YBKWYHBPAKCXQH-VIFPVBQESA-N -1 3 310.379 0.489 10 0 DCAEHM O=S(=O)([N-]C[C@H]1CCCC[C@H]1O)c1cnn2c1OCCC2 ZINC000333136232 546072775 /nfs/dbraw/zinc/07/27/75/546072775.db2.gz IOJQPJSCVPZKAZ-GHMZBOCLSA-N -1 3 315.395 0.495 10 0 DCAEHM Cc1c[nH]nc1C(=O)N1CC[C@H](c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000685942906 548747829 /nfs/dbraw/zinc/74/78/29/548747829.db2.gz SRFJFWFVIYZHKX-JTQLQIEISA-N -1 3 316.365 0.909 10 0 DCAEHM CSCC[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-] ZINC000050027886 571769681 /nfs/dbraw/zinc/76/96/81/571769681.db2.gz KYPMKDGKAYQCHO-VXGBXAGGSA-N -1 3 312.391 0.585 10 0 endogenous,in-man DCAEHM CCN1CCC[C@H](NC(=O)N2CCSC[C@@H]2C(=O)[O-])C1 ZINC000215094853 658441538 /nfs/dbraw/zinc/44/15/38/658441538.db2.gz WIOLUGYFXLBSIQ-WDEREUQCSA-N -1 3 301.412 0.682 10 0 DCAEHM CCNC(=O)N1CC[C@H](NC(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000436587581 663510516 /nfs/dbraw/zinc/51/05/16/663510516.db2.gz PMCXCWOIZZGNRL-VIFPVBQESA-N -1 3 321.333 0.655 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000702362560 666946082 /nfs/dbraw/zinc/94/60/82/666946082.db2.gz DWOFUSFZWOFOOU-RHSMWYFYSA-N -1 3 319.405 0.769 10 0 DCAEHM CN(C)C1(CN(C)S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCC1 ZINC000097927403 685114038 /nfs/dbraw/zinc/11/40/38/685114038.db2.gz NCXZEYWLNWZKHV-UHFFFAOYSA-N -1 3 315.395 0.818 10 0 DCAEHM O=C1CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)N1 ZINC000123684726 1177058912 /nfs/dbraw/zinc/05/89/12/1177058912.db2.gz ACEGCGMFEXCANQ-MRVPVSSYSA-N -1 3 320.729 0.563 10 0 DCAEHM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cccnc1F ZINC000401850857 774068605 /nfs/dbraw/zinc/06/86/05/774068605.db2.gz WOSXOOQRQYRSSY-SNVBAGLBSA-N -1 3 303.359 0.220 10 0 DCAEHM CCC[C@H](C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)N(C)C ZINC000094149084 193346177 /nfs/dbraw/zinc/34/61/77/193346177.db2.gz ZDNBSDGDDBVCKL-CYBMUJFWSA-N -1 3 319.409 0.986 10 0 DCAEHM NC(=O)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000110787666 194358187 /nfs/dbraw/zinc/35/81/87/194358187.db2.gz KWFUMSJPLJUVRF-UHFFFAOYSA-N -1 3 323.316 0.291 10 0 DCAEHM NC(=O)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000110787666 194358189 /nfs/dbraw/zinc/35/81/89/194358189.db2.gz KWFUMSJPLJUVRF-UHFFFAOYSA-N -1 3 323.316 0.291 10 0 DCAEHM CC(C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)[O-] ZINC000058582229 184123600 /nfs/dbraw/zinc/12/36/00/184123600.db2.gz LSLXWOCIIFUZCQ-SDDRHHMPSA-N -1 3 315.414 0.336 10 0 DCAEHM CC(C)[C@@H](C)CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000088685206 252590110 /nfs/dbraw/zinc/59/01/10/252590110.db2.gz UWCZFVBBXJXMIC-JTQLQIEISA-N -1 3 302.400 0.107 10 0 DCAEHM C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286507252 219026573 /nfs/dbraw/zinc/02/65/73/219026573.db2.gz AFNAALJXODSOOF-HZGVNTEJSA-N -1 3 321.761 0.820 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)c1 ZINC000349963390 254306706 /nfs/dbraw/zinc/30/67/06/254306706.db2.gz CSQAYBYDLQRMDK-SSDOTTSWSA-N -1 3 301.290 0.495 10 0 DCAEHM O=C([O-])[C@H](Cn1cc(Cl)c(=O)[n-]c1=O)[NH2+]C1CCCCC1 ZINC000067896100 257215404 /nfs/dbraw/zinc/21/54/04/257215404.db2.gz CTMFRJWZWLLCGO-JTQLQIEISA-N -1 3 315.757 0.566 10 0 biogenic DCAEHM O=C1[N-]C(=O)[C@@H](CCS(=O)(=O)Nc2cccc(Cl)c2)N1 ZINC000001595854 395680927 /nfs/dbraw/zinc/68/09/27/395680927.db2.gz YDECWPVBRRGPND-SECBINFHSA-N -1 3 317.754 0.680 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC(C)(C)O ZINC000087040169 395705636 /nfs/dbraw/zinc/70/56/36/395705636.db2.gz MQIGNQFGIFURFP-UHFFFAOYSA-N -1 3 305.352 0.732 10 0 DCAEHM CCc1nnc(CSc2nnc3[n-]c(=O)c(C)nn32)n1C ZINC000114860686 395837814 /nfs/dbraw/zinc/83/78/14/395837814.db2.gz HINLROZSFAWSCT-UHFFFAOYSA-N -1 3 306.355 0.517 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCCN1CCc2ccccc21 ZINC000135008549 395936456 /nfs/dbraw/zinc/93/64/56/395936456.db2.gz SRROUMJLYXBGEJ-LBPRGKRZSA-N -1 3 316.361 0.154 10 0 DCAEHM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]CC(=O)N1CCc2ccccc21 ZINC000135562963 395941298 /nfs/dbraw/zinc/94/12/98/395941298.db2.gz GESUDJVIOIVXIV-BXUZGUMPSA-N -1 3 324.402 0.673 10 0 DCAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000248790290 395997172 /nfs/dbraw/zinc/99/71/72/395997172.db2.gz XLLIXMNOSXNHQO-NXEZZACHSA-N -1 3 300.384 0.175 10 0 DCAEHM COc1cccc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c1[O-] ZINC000177829520 396184731 /nfs/dbraw/zinc/18/47/31/396184731.db2.gz PBODRHDUHPPWPD-UHFFFAOYSA-N -1 3 315.329 0.693 10 0 DCAEHM COCCN1CCCN(C(=O)c2ccc3n[n-]nc3c2)CC1=O ZINC000189314242 396393458 /nfs/dbraw/zinc/39/34/58/396393458.db2.gz GCZQQRGUJYWVEY-UHFFFAOYSA-N -1 3 317.349 0.279 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2CCCN(CCOC)C(=O)C2)n1 ZINC000190761123 396410974 /nfs/dbraw/zinc/41/09/74/396410974.db2.gz OYYPYMRNNSQQOE-UHFFFAOYSA-N -1 3 308.382 0.425 10 0 DCAEHM O=S(=O)([N-]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1c[nH]cn1 ZINC000374734366 396683260 /nfs/dbraw/zinc/68/32/60/396683260.db2.gz IOCUVQSEDQOUAX-ZYHUDNBSSA-N -1 3 315.395 0.256 10 0 DCAEHM CC(C)CCSCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000364512381 397212574 /nfs/dbraw/zinc/21/25/74/397212574.db2.gz XEKXANPXLKCGBW-AWEZNQCLSA-N -1 3 313.423 0.966 10 0 DCAEHM CC[C@@H]([N-]S(=O)(=O)C[C@@H]1CNCCO1)c1nccs1 ZINC000382380929 397274349 /nfs/dbraw/zinc/27/43/49/397274349.db2.gz RHDAGSGHICJSPJ-VHSXEESVSA-N -1 3 305.425 0.502 10 0 DCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)CC3CCCC3)C2)N1 ZINC000365523650 397291003 /nfs/dbraw/zinc/29/10/03/397291003.db2.gz RMVIZEOBHKXRQI-CYBMUJFWSA-N -1 3 315.395 0.180 10 0 DCAEHM CC(=O)c1ccc(C(=O)NCCC2CS(=O)(=O)C2)cc1[O-] ZINC000613852009 397335413 /nfs/dbraw/zinc/33/54/13/397335413.db2.gz FDLJVXJBVZJPCG-UHFFFAOYSA-N -1 3 311.359 0.759 10 0 DCAEHM COCC(COC)S(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C ZINC000603286303 397593070 /nfs/dbraw/zinc/59/30/70/397593070.db2.gz ZVIMLTCFQYAWFQ-SECBINFHSA-N -1 3 311.400 0.297 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)OC ZINC000049499000 158010635 /nfs/dbraw/zinc/01/06/35/158010635.db2.gz LHTOHNZFHJXELT-ZCFIWIBFSA-N -1 3 319.335 0.523 10 0 DCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CN(C2CC2)CCO1 ZINC000123616253 158231349 /nfs/dbraw/zinc/23/13/49/158231349.db2.gz VYQMNSCIKOVCTH-GFCCVEGCSA-N -1 3 315.395 0.433 10 0 DCAEHM O=S(=O)([N-]C[C@H]1CNCCO1)c1ccc(Cl)cc1F ZINC000134263535 158325550 /nfs/dbraw/zinc/32/55/50/158325550.db2.gz SCLGPKCBZVDXTQ-SECBINFHSA-N -1 3 308.762 0.746 10 0 DCAEHM O=C(C[C@H]1CCCCC(=O)N1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000328644468 159016822 /nfs/dbraw/zinc/01/68/22/159016822.db2.gz GPXMSZQEDOOHLG-ZJUUUORDSA-N -1 3 308.338 0.879 10 0 DCAEHM COc1cccc(CC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)n1 ZINC000328784903 159029252 /nfs/dbraw/zinc/02/92/52/159029252.db2.gz VWHMEFIDMZXBLU-JTQLQIEISA-N -1 3 304.306 0.236 10 0 DCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)[C@@H](C)CO1 ZINC000408002758 160007733 /nfs/dbraw/zinc/00/77/33/160007733.db2.gz HJTPWIIDDMONQS-DJLDLDEBSA-N -1 3 320.333 0.243 10 0 DCAEHM CC1(C)Cc2ccc(C(=O)N3CCO[C@H](CO)C3)c([O-])c2O1 ZINC000408410524 160102977 /nfs/dbraw/zinc/10/29/77/160102977.db2.gz SUIRAFBIEWZPSO-NSHDSACASA-N -1 3 307.346 0.939 10 0 DCAEHM C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H](c2ccccc2)CO1 ZINC000270954806 415258608 /nfs/dbraw/zinc/25/86/08/415258608.db2.gz YFDRSGPBUVNMMM-WXHSDQCUSA-N -1 3 317.345 0.573 10 0 DCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCc1cccc(F)c1 ZINC000073512887 415424683 /nfs/dbraw/zinc/42/46/83/415424683.db2.gz XJJOESMNKZSIDF-UHFFFAOYSA-N -1 3 306.297 0.147 10 0 DCAEHM COc1ccc([O-])c(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000105569962 415632450 /nfs/dbraw/zinc/63/24/50/415632450.db2.gz BAKSPQPWTAHPQZ-LBPRGKRZSA-N -1 3 306.362 0.948 10 0 DCAEHM CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C1=O ZINC000333412397 415640563 /nfs/dbraw/zinc/64/05/63/415640563.db2.gz KINORZOUAWFCRB-GMTAPVOTSA-N -1 3 318.395 0.009 10 0 DCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)[C@H](C)CO ZINC000158821347 416003503 /nfs/dbraw/zinc/00/35/03/416003503.db2.gz AFEFFVAKKBAMLO-HTQZYQBOSA-N -1 3 307.393 0.830 10 0 DCAEHM COc1nnc(NC(=O)CCn2c3ccccc3n(C)c2=O)[n-]1 ZINC000183005897 416234082 /nfs/dbraw/zinc/23/40/82/416234082.db2.gz HCDVLRNEWIAAAJ-UHFFFAOYSA-N -1 3 316.321 0.496 10 0 DCAEHM COc1nc(NC(=O)CCn2c3ccccc3n(C)c2=O)n[n-]1 ZINC000183005897 416234087 /nfs/dbraw/zinc/23/40/87/416234087.db2.gz HCDVLRNEWIAAAJ-UHFFFAOYSA-N -1 3 316.321 0.496 10 0 DCAEHM COc1n[n-]c(NC(=O)CCn2c3ccccc3n(C)c2=O)n1 ZINC000183005897 416234091 /nfs/dbraw/zinc/23/40/91/416234091.db2.gz HCDVLRNEWIAAAJ-UHFFFAOYSA-N -1 3 316.321 0.496 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1[O-] ZINC000436719040 416567369 /nfs/dbraw/zinc/56/73/69/416567369.db2.gz YPHAXKIJIORQRG-UWVGGRQHSA-N -1 3 308.334 0.578 10 0 DCAEHM CN1CCOC[C@H]1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000542818194 416631160 /nfs/dbraw/zinc/63/11/60/416631160.db2.gz KLIDSZCQYXDZMC-LBPRGKRZSA-N -1 3 302.338 0.060 10 0 DCAEHM CN1CCOC[C@H]1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000542818194 416631164 /nfs/dbraw/zinc/63/11/64/416631164.db2.gz KLIDSZCQYXDZMC-LBPRGKRZSA-N -1 3 302.338 0.060 10 0 DCAEHM CC(=O)c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)cc1[O-] ZINC000425293552 416690720 /nfs/dbraw/zinc/69/07/20/416690720.db2.gz KWVZNQDMBRPJEM-ZDUSSCGKSA-N -1 3 322.361 0.018 10 0 DCAEHM O=S(=O)([N-]Cc1nnc2ccccn21)c1cncc(F)c1 ZINC000447192573 416970496 /nfs/dbraw/zinc/97/04/96/416970496.db2.gz OPLFCVFZSFKFJN-UHFFFAOYSA-N -1 3 307.310 0.742 10 0 DCAEHM O=S(=O)([N-]CC[C@@]1(O)CCOC1)c1ccc(F)c(F)c1 ZINC000404162083 417118967 /nfs/dbraw/zinc/11/89/67/417118967.db2.gz SMEYZCIABAPHNW-GFCCVEGCSA-N -1 3 307.318 0.785 10 0 DCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000316855138 261175590 /nfs/dbraw/zinc/17/55/90/261175590.db2.gz IDSIFYFXFLRQLM-IACUBPJLSA-N -1 3 324.402 0.901 10 0 DCAEHM CCc1ncc(S(=O)(=O)[N-]CC2(CC(N)=O)CC2)s1 ZINC000420698822 262380936 /nfs/dbraw/zinc/38/09/36/262380936.db2.gz AORHPYZWFPGNJI-UHFFFAOYSA-N -1 3 303.409 0.639 10 0 DCAEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCCOC)[C@@H]1CCCOC1 ZINC000358499652 271052750 /nfs/dbraw/zinc/05/27/50/271052750.db2.gz LPUAFTIAIXQKJS-NEPJUHHUSA-N -1 3 323.411 0.301 10 0 DCAEHM COC(=O)[C@@H]1CCN(C(=O)c2cccc([O-])c2)[C@H](C(=O)OC)C1 ZINC000540964630 287913147 /nfs/dbraw/zinc/91/31/47/287913147.db2.gz DJMUYBOOMXZAMN-YPMHNXCESA-N -1 3 321.329 0.959 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCc2cc(Cl)ccc2C1 ZINC000191456516 526720488 /nfs/dbraw/zinc/72/04/88/526720488.db2.gz VLHQKKXWYMREEH-UHFFFAOYSA-N -1 3 307.737 0.777 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(CCc1cccc(F)c1)C1CC1 ZINC000155937599 527138412 /nfs/dbraw/zinc/13/84/12/527138412.db2.gz XBOBXCGSVACRCN-ZDUSSCGKSA-N -1 3 319.336 0.957 10 0 DCAEHM O=C(CN1CCCNC1=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000532673222 546289649 /nfs/dbraw/zinc/28/96/49/546289649.db2.gz XPLBMVIGFOVIDM-UHFFFAOYSA-N -1 3 315.337 0.144 10 0 DCAEHM O=C(CN1CCCNC1=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000532673222 546289650 /nfs/dbraw/zinc/28/96/50/546289650.db2.gz XPLBMVIGFOVIDM-UHFFFAOYSA-N -1 3 315.337 0.144 10 0 DCAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C23CCOCC3)o1 ZINC000888099313 661178237 /nfs/dbraw/zinc/17/82/37/661178237.db2.gz VPUPWLMTQJMFRF-GHMZBOCLSA-N -1 3 301.364 0.796 10 0 DCAEHM CN1C[C@H](CC[N-]S(=O)(=O)c2cccnc2F)CC1=O ZINC000723352598 658640043 /nfs/dbraw/zinc/64/00/43/658640043.db2.gz NVNBCJLMIJRVFY-SECBINFHSA-N -1 3 301.343 0.367 10 0 DCAEHM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000226054323 664498490 /nfs/dbraw/zinc/49/84/90/664498490.db2.gz ZXCOYKDKLSIQSG-SCZZXKLOSA-N -1 3 316.379 0.857 10 0 DCAEHM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000123578433 668144601 /nfs/dbraw/zinc/14/46/01/668144601.db2.gz ZXCOYKDKLSIQSG-PSASIEDQSA-N -1 3 316.379 0.857 10 0 DCAEHM CO[C@H](C(=O)[O-])C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000713274816 670154667 /nfs/dbraw/zinc/15/46/67/670154667.db2.gz HWNSGTXUQMPVSD-UBHSHLNASA-N -1 3 306.362 0.723 10 0 DCAEHM C[C@H]1COCC[C@@H]1C(=O)NCCNC(=O)c1ccccc1[O-] ZINC000192787763 1187963192 /nfs/dbraw/zinc/96/31/92/1187963192.db2.gz NWCGWXOFESZENS-RYUDHWBXSA-N -1 3 306.362 0.911 10 0 DCAEHM O=C1CSC(=O)N1CC[N-]S(=O)(=O)c1cccnc1F ZINC000401830037 774067617 /nfs/dbraw/zinc/06/76/17/774067617.db2.gz NLCVVNQRCMWFMB-UHFFFAOYSA-N -1 3 319.339 0.194 10 0 DCAEHM COc1cccc([O-])c1C(=O)NCCCCS(N)(=O)=O ZINC000405440923 774167106 /nfs/dbraw/zinc/16/71/06/774167106.db2.gz VONRVIGTNKHQSK-UHFFFAOYSA-N -1 3 302.352 0.199 10 0 DCAEHM CCN(CC)C[C@@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689198359 954642255 /nfs/dbraw/zinc/64/22/55/954642255.db2.gz ARYYIVHXXZCISX-MNOVXSKESA-N -1 3 307.416 0.100 10 0 DCAEHM CCC(CC)CS(=O)(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366152208 282169832 /nfs/dbraw/zinc/16/98/32/282169832.db2.gz AFTIYMIRUCTTMH-CYBMUJFWSA-N -1 3 317.411 0.426 10 0 DCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCCOC1 ZINC000170937173 197855687 /nfs/dbraw/zinc/85/56/87/197855687.db2.gz ISIFAHLTJPNHDZ-JTQLQIEISA-N -1 3 318.420 0.712 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N(Cc1ccccc1)CC(F)F ZINC000174627312 198361673 /nfs/dbraw/zinc/36/16/73/198361673.db2.gz DNSQSQXCJIYQGH-UHFFFAOYSA-N -1 3 311.288 0.832 10 0 DCAEHM Cc1ccc2c(c1)[C@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@@H](C)C2 ZINC000181113155 199253861 /nfs/dbraw/zinc/25/38/61/199253861.db2.gz JBVDCVXVMFLEOA-ZUZCIYMTSA-N -1 3 301.346 0.896 10 0 DCAEHM O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc2c(c1[O-])CCCC2 ZINC000183383902 237279448 /nfs/dbraw/zinc/27/94/48/237279448.db2.gz UPQXAZMGOWMMCR-GFCCVEGCSA-N -1 3 302.330 0.806 10 0 DCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCC(=O)NC2)cc1 ZINC000110906322 194368903 /nfs/dbraw/zinc/36/89/03/194368903.db2.gz XVFBJWSDUIHCRX-NSHDSACASA-N -1 3 311.363 0.067 10 0 DCAEHM CN(C)c1c(Cl)cccc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000058397649 184113028 /nfs/dbraw/zinc/11/30/28/184113028.db2.gz UBFBCQFEGQCKDD-VIFPVBQESA-N -1 3 310.741 0.943 10 0 DCAEHM O=C1N[C@H](c2ccc([O-])c(Br)c2)N2CCOC[C@@H]12 ZINC000093884253 296395451 /nfs/dbraw/zinc/39/54/51/296395451.db2.gz XLQKWDQVVWJEHX-ONGXEEELSA-N -1 3 313.151 0.984 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)c1 ZINC000349963391 254306220 /nfs/dbraw/zinc/30/62/20/254306220.db2.gz CSQAYBYDLQRMDK-ZETCQYMHSA-N -1 3 301.290 0.495 10 0 DCAEHM CCN1CCC[C@H]1CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000216053483 285284938 /nfs/dbraw/zinc/28/49/38/285284938.db2.gz VFTQFIAOSCQNOF-BLXSCJOCSA-N -1 3 306.362 0.337 10 0 DCAEHM CCn1cnc(S(=O)(=O)[N-]C2CCC(C(=O)OC)CC2)c1 ZINC000134835948 395935583 /nfs/dbraw/zinc/93/55/83/395935583.db2.gz CZFRZMMVTGEJAR-UHFFFAOYSA-N -1 3 315.395 0.913 10 0 DCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@H]1CCN(c2ccccc2)C1=O ZINC000248990742 396001288 /nfs/dbraw/zinc/00/12/88/396001288.db2.gz XCZAJQFGMBLBTA-UBHSHLNASA-N -1 3 324.402 0.889 10 0 DCAEHM CN1CCCc2cc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)ccc21 ZINC000154687735 396041580 /nfs/dbraw/zinc/04/15/80/396041580.db2.gz GIFQBDSCBHHHGP-NSHDSACASA-N -1 3 302.334 0.606 10 0 DCAEHM CC(C)[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccnc1 ZINC000152451054 396009821 /nfs/dbraw/zinc/00/98/21/396009821.db2.gz KRDQNSAIQMPHSP-NEPJUHHUSA-N -1 3 304.350 0.536 10 0 DCAEHM CCCNc1ccc(CNC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000193011573 396442539 /nfs/dbraw/zinc/44/25/39/396442539.db2.gz PIHOJPKMAYLQQK-UHFFFAOYSA-N -1 3 304.350 0.677 10 0 DCAEHM Cn1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nn1 ZINC000389979996 397298551 /nfs/dbraw/zinc/29/85/51/397298551.db2.gz HYGMSLVHRKMSMF-UHFFFAOYSA-N -1 3 311.754 0.819 10 0 DCAEHM O=C(NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1[O-] ZINC000073109286 158054114 /nfs/dbraw/zinc/05/41/14/158054114.db2.gz VRRQZAFOIHFYEW-QKCSRTOESA-N -1 3 304.346 0.806 10 0 DCAEHM O=C(NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc([O-])cc1 ZINC000073107779 158054346 /nfs/dbraw/zinc/05/43/46/158054346.db2.gz SAYLKNPRUYPYDL-MCIONIFRSA-N -1 3 304.346 0.806 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)c2cc(C(N)=O)cn2C)n[n-]1 ZINC000119430387 158187117 /nfs/dbraw/zinc/18/71/17/158187117.db2.gz MFKQJEVEHKKQEM-UHFFFAOYSA-N -1 3 313.321 0.500 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)c2cc(C(N)=O)cn2C)[n-]n1 ZINC000119430387 158187119 /nfs/dbraw/zinc/18/71/19/158187119.db2.gz MFKQJEVEHKKQEM-UHFFFAOYSA-N -1 3 313.321 0.500 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCc2ccc(Cl)cc2C1 ZINC000124268920 158240006 /nfs/dbraw/zinc/24/00/06/158240006.db2.gz BBPZSCMLDMAKLC-UHFFFAOYSA-N -1 3 307.737 0.777 10 0 DCAEHM COc1ccc([O-])c(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000127205515 158271893 /nfs/dbraw/zinc/27/18/93/158271893.db2.gz RJIMNSCKTNHTEK-CYBMUJFWSA-N -1 3 306.362 0.994 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)[C@@H](C)CO ZINC000167329718 158368481 /nfs/dbraw/zinc/36/84/81/158368481.db2.gz ACTCPTWYOIJICV-JGVFFNPUSA-N -1 3 319.379 0.978 10 0 DCAEHM Cc1nnc([C@H]2CCCCN2C(=O)CN2CC(=O)[N-]C2=O)[nH]1 ZINC000328662183 159018730 /nfs/dbraw/zinc/01/87/30/159018730.db2.gz ALKGAYNDKASBDF-SECBINFHSA-N -1 3 306.326 0.559 10 0 DCAEHM CN1CCO[C@@H]2CCN(C(=O)c3cc(F)cc4[n-]nnc43)C[C@H]21 ZINC000329206631 159073644 /nfs/dbraw/zinc/07/36/44/159073644.db2.gz XLMYXWJTRSANKT-CHWSQXEVSA-N -1 3 319.340 0.642 10 0 DCAEHM CN1CCO[C@@H]2CCN(C(=O)c3cc(F)cc4nn[n-]c43)C[C@H]21 ZINC000329206631 159073645 /nfs/dbraw/zinc/07/36/45/159073645.db2.gz XLMYXWJTRSANKT-CHWSQXEVSA-N -1 3 319.340 0.642 10 0 DCAEHM CN1CCO[C@@H]2CCN(C(=O)c3cc(F)cc4n[n-]nc43)C[C@H]21 ZINC000329206631 159073646 /nfs/dbraw/zinc/07/36/46/159073646.db2.gz XLMYXWJTRSANKT-CHWSQXEVSA-N -1 3 319.340 0.642 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1[O-] ZINC000408410130 160102567 /nfs/dbraw/zinc/10/25/67/160102567.db2.gz JWETYSVUKSWOBG-SECBINFHSA-N -1 3 311.359 0.854 10 0 DCAEHM CC[C@@H](O)CN1CCN(C(=O)/C=C\c2cncc([O-])c2)CC1 ZINC000255642739 287126095 /nfs/dbraw/zinc/12/60/95/287126095.db2.gz REFBVZBSPVFMHA-VQTKUKTRSA-N -1 3 305.378 0.716 10 0 DCAEHM C[C@@H]1CN(C(=O)/C=C\c2cncc([O-])c2)C[C@H]1N1CCOCC1 ZINC000255673773 287126339 /nfs/dbraw/zinc/12/63/39/287126339.db2.gz HVVSNXYFOJPSQA-UGQNZJGRSA-N -1 3 317.389 0.980 10 0 DCAEHM CN(C)CCn1ccnc1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC000033866252 415186969 /nfs/dbraw/zinc/18/69/69/415186969.db2.gz POYHLULQLFYWOX-UHFFFAOYSA-N -1 3 309.395 0.828 10 0 DCAEHM C[C@H](CCO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127234255 415886090 /nfs/dbraw/zinc/88/60/90/415886090.db2.gz REXUJALSQINQQQ-DGCLKSJQSA-N -1 3 306.362 0.884 10 0 DCAEHM CC(C)(NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(F)c(F)c1 ZINC000175167501 416098940 /nfs/dbraw/zinc/09/89/40/416098940.db2.gz PAKKQCVPWGHWSR-UHFFFAOYSA-N -1 3 311.288 0.868 10 0 DCAEHM CC[C@H](CO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000182361484 416219755 /nfs/dbraw/zinc/21/97/55/416219755.db2.gz OGRCBYONNHRPJL-VHSXEESVSA-N -1 3 318.370 0.380 10 0 DCAEHM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)[N-]Cc1ncoc1C ZINC000331100519 416264629 /nfs/dbraw/zinc/26/46/29/416264629.db2.gz OKFGONQXFJUOLP-MWLCHTKSSA-N -1 3 302.352 0.744 10 0 DCAEHM Cc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c([O-])c1C ZINC000447758637 417028047 /nfs/dbraw/zinc/02/80/47/417028047.db2.gz NCVCFQLWRWQBMJ-INIZCTEOSA-N -1 3 317.345 0.823 10 0 DCAEHM CCOc1nc2cc(C(=O)N3CC[C@H](NC(N)=O)C3)ccc2[n-]1 ZINC000450302580 417215471 /nfs/dbraw/zinc/21/54/71/417215471.db2.gz WQQLEXULWMEPFO-JTQLQIEISA-N -1 3 317.349 0.844 10 0 DCAEHM CCOc1nc2ccc(C(=O)N3CC[C@H](NC(N)=O)C3)cc2[n-]1 ZINC000450302580 417215478 /nfs/dbraw/zinc/21/54/78/417215478.db2.gz WQQLEXULWMEPFO-JTQLQIEISA-N -1 3 317.349 0.844 10 0 DCAEHM Cn1ccnc1-c1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000111572510 261108783 /nfs/dbraw/zinc/10/87/83/261108783.db2.gz JLHBIHJLKIJWLB-UHFFFAOYSA-N -1 3 313.317 0.577 10 0 DCAEHM Cc1ccc2c(c1)nc(CNC(=O)CN1CC(=O)[N-]C1=O)n2C ZINC000186165053 261121233 /nfs/dbraw/zinc/12/12/33/261121233.db2.gz KALCJJLELWKDEN-UHFFFAOYSA-N -1 3 315.333 0.050 10 0 DCAEHM CC(=O)N1CCC[C@@H](CNC(=O)NCc2ncccc2[O-])C1 ZINC000354801976 261273505 /nfs/dbraw/zinc/27/35/05/261273505.db2.gz KDWFIRMROKSTCE-LBPRGKRZSA-N -1 3 306.366 0.845 10 0 DCAEHM CCCOC(=O)[C@@H]1C[C@]2(NC(=O)[N-]C2=O)c2cc(F)ccc2O1 ZINC000091301329 276018704 /nfs/dbraw/zinc/01/87/04/276018704.db2.gz KXSOZSJFADAYID-NHYWBVRUSA-N -1 3 322.292 0.965 10 0 DCAEHM O=C(N[C@@H]1CCCC(F)(F)C1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000546143666 288016267 /nfs/dbraw/zinc/01/62/67/288016267.db2.gz WJMOBELUDAZEDH-BDAKNGLRSA-N -1 3 316.308 0.510 10 0 DCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCO[C@]2(CCOC2)C1 ZINC000282745172 280166077 /nfs/dbraw/zinc/16/60/77/280166077.db2.gz NOXGDXFPKJHNOT-CQSZACIVSA-N -1 3 306.297 0.729 10 0 DCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCO[C@]2(CCOC2)C1 ZINC000282745172 280166078 /nfs/dbraw/zinc/16/60/78/280166078.db2.gz NOXGDXFPKJHNOT-CQSZACIVSA-N -1 3 306.297 0.729 10 0 DCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCO[C@]2(CCOC2)C1 ZINC000282745172 280166079 /nfs/dbraw/zinc/16/60/79/280166079.db2.gz NOXGDXFPKJHNOT-CQSZACIVSA-N -1 3 306.297 0.729 10 0 DCAEHM CC(C)(C)c1nc(CCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)cs1 ZINC000130765362 519093556 /nfs/dbraw/zinc/09/35/56/519093556.db2.gz DLRLANKLLWSYSP-VIFPVBQESA-N -1 3 324.406 0.697 10 0 DCAEHM CN(Cc1cc2ccccc2o1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000156739496 523187419 /nfs/dbraw/zinc/18/74/19/523187419.db2.gz YYLHRFHYTVSWIC-NSHDSACASA-N -1 3 301.302 0.989 10 0 DCAEHM CN(C(=O)CC[C@@H]1NC(=O)[N-]C1=O)[C@@H]1CCCc2c1cnn2C ZINC000154824851 523807472 /nfs/dbraw/zinc/80/74/72/523807472.db2.gz HYAWRGZYHSGHGQ-WDEREUQCSA-N -1 3 319.365 0.244 10 0 DCAEHM Cc1cccnc1[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(C)C ZINC000155976408 525551057 /nfs/dbraw/zinc/55/10/57/525551057.db2.gz MTYZJJCUEDSJKA-CMPLNLGQSA-N -1 3 304.350 0.801 10 0 DCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]C[C@]1(O)CCc2ccccc21 ZINC000190319566 525578040 /nfs/dbraw/zinc/57/80/40/525578040.db2.gz MFXSTUTXJXNSEA-TUKIKUTGSA-N -1 3 311.403 0.917 10 0 DCAEHM Cc1nc(C)c(CCC(=O)N2CC(NC(=O)C3CC3)C2)c(=O)[n-]1 ZINC000189399781 526708112 /nfs/dbraw/zinc/70/81/12/526708112.db2.gz HTDTXTDTLARQLT-UHFFFAOYSA-N -1 3 318.377 0.056 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cccc(C(F)(F)F)c1 ZINC000159034396 527138838 /nfs/dbraw/zinc/13/88/38/527138838.db2.gz VGKQJXPLXZGZOR-VIFPVBQESA-N -1 3 315.251 0.920 10 0 DCAEHM O=S(=O)([N-][C@H]1CCOC[C@@H]1O)c1cnc(Cl)c(F)c1 ZINC000707057151 667430884 /nfs/dbraw/zinc/43/08/84/667430884.db2.gz QHJQQWOQONVGLA-IUCAKERBSA-N -1 3 310.734 0.302 10 0 DCAEHM CN(CC(C)(C)S(C)(=O)=O)C(=O)c1c([O-])cccc1O ZINC000713902535 670169143 /nfs/dbraw/zinc/16/91/43/670169143.db2.gz FRLJASGIIMINEL-UHFFFAOYSA-N -1 3 301.364 0.993 10 0 DCAEHM CCOc1nnc(NC(=O)c2cnn(C)c2Br)[n-]1 ZINC000379130104 685234781 /nfs/dbraw/zinc/23/47/81/685234781.db2.gz UCCLEMGWJHPIIC-UHFFFAOYSA-N -1 3 315.131 0.952 10 0 DCAEHM CCOc1nc(NC(=O)c2cnn(C)c2Br)n[n-]1 ZINC000379130104 685234785 /nfs/dbraw/zinc/23/47/85/685234785.db2.gz UCCLEMGWJHPIIC-UHFFFAOYSA-N -1 3 315.131 0.952 10 0 DCAEHM CCOc1n[n-]c(NC(=O)c2cnn(C)c2Br)n1 ZINC000379130104 685234788 /nfs/dbraw/zinc/23/47/88/685234788.db2.gz UCCLEMGWJHPIIC-UHFFFAOYSA-N -1 3 315.131 0.952 10 0 DCAEHM C[C@@H]1COCC[C@H]1C(=O)NCCNC(=O)c1ccccc1[O-] ZINC000192787774 1187963106 /nfs/dbraw/zinc/96/31/06/1187963106.db2.gz NWCGWXOFESZENS-VXGBXAGGSA-N -1 3 306.362 0.911 10 0 DCAEHM CS(=O)(=O)N1CCC[C@H](NCc2ccc(C(=O)[O-])s2)C1 ZINC000400183582 774022798 /nfs/dbraw/zinc/02/27/98/774022798.db2.gz BKLZLSPRKUJKNZ-VIFPVBQESA-N -1 3 318.420 0.960 10 0 DCAEHM CCC1=C(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CCCO1 ZINC000373833579 282533109 /nfs/dbraw/zinc/53/31/09/282533109.db2.gz VNWAAQJVQRAIRI-HNNXBMFYSA-N -1 3 307.350 0.662 10 0 DCAEHM CCn1c(C)nnc1CSc1nnc2[n-]c(=O)c(C)nn21 ZINC000172251410 198065889 /nfs/dbraw/zinc/06/58/89/198065889.db2.gz IWUYQOTVBLWIAL-UHFFFAOYSA-N -1 3 306.355 0.745 10 0 DCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000173792911 198252553 /nfs/dbraw/zinc/25/25/53/198252553.db2.gz ZDDOSBIIZRUMFX-UHFFFAOYSA-N -1 3 304.350 0.200 10 0 DCAEHM COc1nnc(NC(=O)CCNC(=O)Cc2ccccc2)[n-]1 ZINC000179360696 199022664 /nfs/dbraw/zinc/02/26/64/199022664.db2.gz SRJKJVVLANQXOR-UHFFFAOYSA-N -1 3 303.322 0.501 10 0 DCAEHM COc1nc(NC(=O)CCNC(=O)Cc2ccccc2)n[n-]1 ZINC000179360696 199022665 /nfs/dbraw/zinc/02/26/65/199022665.db2.gz SRJKJVVLANQXOR-UHFFFAOYSA-N -1 3 303.322 0.501 10 0 DCAEHM COc1n[n-]c(NC(=O)CCNC(=O)Cc2ccccc2)n1 ZINC000179360696 199022666 /nfs/dbraw/zinc/02/26/66/199022666.db2.gz SRJKJVVLANQXOR-UHFFFAOYSA-N -1 3 303.322 0.501 10 0 DCAEHM O=C1CN(Cc2nc(COc3ccccc3F)no2)C(=O)[N-]1 ZINC000188361707 237371662 /nfs/dbraw/zinc/37/16/62/237371662.db2.gz DGRVAVYVIJPVCV-UHFFFAOYSA-N -1 3 306.253 0.840 10 0 DCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCO[C@@]2(CCOC2)C1 ZINC000282745168 296178883 /nfs/dbraw/zinc/17/88/83/296178883.db2.gz NOXGDXFPKJHNOT-AWEZNQCLSA-N -1 3 306.297 0.729 10 0 DCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCO[C@@]2(CCOC2)C1 ZINC000282745168 296178884 /nfs/dbraw/zinc/17/88/84/296178884.db2.gz NOXGDXFPKJHNOT-AWEZNQCLSA-N -1 3 306.297 0.729 10 0 DCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCO[C@@]2(CCOC2)C1 ZINC000282745168 296178886 /nfs/dbraw/zinc/17/88/86/296178886.db2.gz NOXGDXFPKJHNOT-AWEZNQCLSA-N -1 3 306.297 0.729 10 0 DCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCN2CCCC[C@@H]2C1 ZINC000104845417 194046015 /nfs/dbraw/zinc/04/60/15/194046015.db2.gz RZVRHYKRRUNGTL-GFCCVEGCSA-N -1 3 313.357 0.881 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000109940011 194298843 /nfs/dbraw/zinc/29/88/43/194298843.db2.gz GHRUTMJCWMGZSO-SFYZADRCSA-N -1 3 307.272 0.776 10 0 DCAEHM O=S(=O)([N-]CC[C@@H](O)C(F)(F)F)c1cncc(F)c1 ZINC000349980168 254306927 /nfs/dbraw/zinc/30/69/27/254306927.db2.gz YVNRXPUWJJNVLJ-MRVPVSSYSA-N -1 3 302.249 0.812 10 0 DCAEHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000089783366 395715256 /nfs/dbraw/zinc/71/52/56/395715256.db2.gz UONFOTWXTBVBES-VIFPVBQESA-N -1 3 303.384 0.739 10 0 DCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1Cc2ccccc2[C@@H]1O ZINC000193945643 395784028 /nfs/dbraw/zinc/78/40/28/395784028.db2.gz PUKXRCMXTFCRLL-ICCXJUOJSA-N -1 3 312.391 0.041 10 0 DCAEHM CCN(CCNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1C ZINC000046992527 395785261 /nfs/dbraw/zinc/78/52/61/395785261.db2.gz IHDCCNHUXLUUKE-LBPRGKRZSA-N -1 3 318.377 0.536 10 0 DCAEHM CC1(CNC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)COC1 ZINC000112620480 395820166 /nfs/dbraw/zinc/82/01/66/395820166.db2.gz PMPGDNKGBDVGQI-UHFFFAOYSA-N -1 3 317.345 0.233 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCNC(=O)C1CC1 ZINC000049443321 395831838 /nfs/dbraw/zinc/83/18/38/395831838.db2.gz ZBHMSPBVWGZFMQ-UHFFFAOYSA-N -1 3 320.802 0.186 10 0 DCAEHM CCN1CCO[C@@H](C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000134703133 395934274 /nfs/dbraw/zinc/93/42/74/395934274.db2.gz NIDSVRCORLPQLO-NSHDSACASA-N -1 3 302.371 0.825 10 0 DCAEHM Cc1nc2c(s1)[C@H](N(C)C(=O)CN1CC(=O)[N-]C1=O)CCC2 ZINC000134911416 395935641 /nfs/dbraw/zinc/93/56/41/395935641.db2.gz MOPBDHBQPTYHLK-SNVBAGLBSA-N -1 3 322.390 0.839 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000153987763 396028395 /nfs/dbraw/zinc/02/83/95/396028395.db2.gz DFYJINUSTNBWSZ-PRJMDXOYSA-N -1 3 307.272 0.822 10 0 DCAEHM CN1CCO[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000279264036 396162004 /nfs/dbraw/zinc/16/20/04/396162004.db2.gz MQSJORAYICPDPI-QMMMGPOBSA-N -1 3 323.777 0.483 10 0 DCAEHM O=C([O-])C1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000309648081 396757925 /nfs/dbraw/zinc/75/79/25/396757925.db2.gz DRVVSZYDHSJOOS-AWEZNQCLSA-N -1 3 303.362 0.987 10 0 DCAEHM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCN2CCC[C@@H]2C1 ZINC000329488379 396845292 /nfs/dbraw/zinc/84/52/92/396845292.db2.gz ULBGJFVSRBMODL-CYBMUJFWSA-N -1 3 314.345 0.950 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000630571330 397048650 /nfs/dbraw/zinc/04/86/50/397048650.db2.gz MCRLCBLOJVSLSJ-UONOGXRCSA-N -1 3 305.378 0.521 10 0 DCAEHM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(O)cc1[O-] ZINC000365826271 397321343 /nfs/dbraw/zinc/32/13/43/397321343.db2.gz ZOSJPPVMYBBKIB-ZDUSSCGKSA-N -1 3 320.345 0.608 10 0 DCAEHM O=C(Nc1nc[nH]n1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000122536547 158222167 /nfs/dbraw/zinc/22/21/67/158222167.db2.gz KBWCGWZCWUKUGS-SNVBAGLBSA-N -1 3 301.306 0.754 10 0 DCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)NC3CCCC3)C2)N1 ZINC000329416662 159090902 /nfs/dbraw/zinc/09/09/02/159090902.db2.gz GFKREACSDNVKJY-GFCCVEGCSA-N -1 3 316.383 0.482 10 0 DCAEHM CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)CC2 ZINC000329646029 159109300 /nfs/dbraw/zinc/10/93/00/159109300.db2.gz AXJCGUFCSGSCIP-JTQLQIEISA-N -1 3 324.410 0.428 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOCC[C@@H]2C)c(C)o1 ZINC000367645107 159348086 /nfs/dbraw/zinc/34/80/86/159348086.db2.gz MHVHVHXWTHFXEE-VIFPVBQESA-N -1 3 316.379 0.747 10 0 DCAEHM CN(CC1CC1)S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2)C1=O ZINC000369543948 159464989 /nfs/dbraw/zinc/46/49/89/159464989.db2.gz OBEDDIRXCHRKTA-CQSZACIVSA-N -1 3 323.418 0.968 10 0 DCAEHM COC(=O)C1([N-]S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000408106652 160037270 /nfs/dbraw/zinc/03/72/70/160037270.db2.gz YUOPRKHHOGTUQE-QWRGUYRKSA-N -1 3 320.411 0.416 10 0 DCAEHM C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000408222923 160063104 /nfs/dbraw/zinc/06/31/04/160063104.db2.gz RZYVAIACCXHYFA-BONVTDFDSA-N -1 3 311.382 0.232 10 0 DCAEHM COc1cc(F)c(S(=O)(=O)[N-]CC2CC(O)C2)cc1OC ZINC000091524518 286935963 /nfs/dbraw/zinc/93/59/63/286935963.db2.gz IJDVIBMJIQOPFW-UHFFFAOYSA-N -1 3 319.354 0.892 10 0 DCAEHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000276152350 415439277 /nfs/dbraw/zinc/43/92/77/415439277.db2.gz DELZXARNXXYZEN-SSDOTTSWSA-N -1 3 307.272 0.728 10 0 DCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@H]2CN(C)CCO2)c1 ZINC000174993035 416092197 /nfs/dbraw/zinc/09/21/97/416092197.db2.gz IDFSHRJENWOLTR-LBPRGKRZSA-N -1 3 316.427 0.148 10 0 DCAEHM CN(C)[C@@H](Cc1ccccc1)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176260906 416121531 /nfs/dbraw/zinc/12/15/31/416121531.db2.gz PVKMYODSLOSHRB-ZDUSSCGKSA-N -1 3 317.393 0.320 10 0 DCAEHM CNC(=O)[C@H]([N-]S(=O)(=O)c1sc(C)nc1C)C(C)C ZINC000178925606 416177483 /nfs/dbraw/zinc/17/74/83/416177483.db2.gz BKPRKCVCCQVSDE-SECBINFHSA-N -1 3 305.425 0.809 10 0 DCAEHM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)[N-]Cc1ncoc1C ZINC000331100518 416263942 /nfs/dbraw/zinc/26/39/42/416263942.db2.gz OKFGONQXFJUOLP-KOLCDFICSA-N -1 3 302.352 0.744 10 0 DCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NC[C@@H](CO)C1CC1 ZINC000359778741 416357718 /nfs/dbraw/zinc/35/77/18/416357718.db2.gz QWOVELGDVDJUEQ-JTQLQIEISA-N -1 3 318.420 0.161 10 0 DCAEHM CCc1cc(C)c(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)o1 ZINC000195016676 416325244 /nfs/dbraw/zinc/32/52/44/416325244.db2.gz AOLJYEZMXSGHKT-HNNXBMFYSA-N -1 3 305.334 0.965 10 0 DCAEHM CN(CC1CC1)S(=O)(=O)[N-][C@H]1CCN(c2ccccc2)C1=O ZINC000369543947 416791364 /nfs/dbraw/zinc/79/13/64/416791364.db2.gz OBEDDIRXCHRKTA-AWEZNQCLSA-N -1 3 323.418 0.968 10 0 DCAEHM CC(=O)c1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000447761279 417028010 /nfs/dbraw/zinc/02/80/10/417028010.db2.gz UMBUGRUDVOSBCV-MRXNPFEDSA-N -1 3 315.329 0.703 10 0 DCAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-][C@H](CO)CC(F)F ZINC000429906328 417004805 /nfs/dbraw/zinc/00/48/05/417004805.db2.gz XCBVQQGPPSCOFN-YFKPBYRVSA-N -1 3 303.718 0.368 10 0 DCAEHM CN(C)c1nc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc(=O)[n-]1 ZINC000407988887 289432468 /nfs/dbraw/zinc/43/24/68/289432468.db2.gz IEZRLWAJPKVROU-LBPRGKRZSA-N -1 3 319.409 0.949 10 0 DCAEHM Cc1ccc([O-])c(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000299742137 534197062 /nfs/dbraw/zinc/19/70/62/534197062.db2.gz HCVIFRAFEFNWDT-OCCSQVGLSA-N -1 3 323.368 0.867 10 0 DCAEHM CN(C)C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000159195384 521858038 /nfs/dbraw/zinc/85/80/38/521858038.db2.gz JJQNPCHNFWUDHA-RYUDHWBXSA-N -1 3 304.350 0.004 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CO)ccc1F ZINC000126761186 522257543 /nfs/dbraw/zinc/25/75/43/522257543.db2.gz AIWFIBRFMBDTNT-QMMMGPOBSA-N -1 3 304.343 0.187 10 0 DCAEHM Cc1cc(C)cc(C[C@@H](C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000156468700 524397939 /nfs/dbraw/zinc/39/79/39/524397939.db2.gz YKDNUSRZOBBWAC-YPMHNXCESA-N -1 3 303.362 0.949 10 0 DCAEHM Cc1csc(C2(NC(=O)CN3CC(=O)[N-]C3=O)CCCC2)n1 ZINC000134924185 526323011 /nfs/dbraw/zinc/32/30/11/526323011.db2.gz HDKNZWQSXWTLJB-UHFFFAOYSA-N -1 3 322.390 0.889 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000128277331 526720694 /nfs/dbraw/zinc/72/06/94/526720694.db2.gz RGMCKHBMLXCCHQ-ZDUSSCGKSA-N -1 3 301.346 0.629 10 0 DCAEHM Cc1nnc(CN2CC[C@H](c3cc(=O)[n-]c(N(C)C)n3)C2)o1 ZINC000864329191 667241381 /nfs/dbraw/zinc/24/13/81/667241381.db2.gz TVWYTEUFRIWMJN-JTQLQIEISA-N -1 3 304.354 0.929 10 0 DCAEHM Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[n-]c(N(C)C)n3)C2)[nH]n1 ZINC000864842939 667289091 /nfs/dbraw/zinc/28/90/91/667289091.db2.gz ULGXIGANCHYNNG-JTQLQIEISA-N -1 3 316.365 0.909 10 0 DCAEHM Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[n-]c(N(C)C)n3)C2)n[nH]1 ZINC000864842939 667289093 /nfs/dbraw/zinc/28/90/93/667289093.db2.gz ULGXIGANCHYNNG-JTQLQIEISA-N -1 3 316.365 0.909 10 0 DCAEHM COC(=O)CCCCC[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000712698303 670150758 /nfs/dbraw/zinc/15/07/58/670150758.db2.gz CVGAQWZEJASUNK-UHFFFAOYSA-N -1 3 301.368 0.797 10 0 DCAEHM CO[C@H](C(=O)[O-])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000713191259 670153882 /nfs/dbraw/zinc/15/38/82/670153882.db2.gz QZHFILOKLOGQPM-KGLIPLIRSA-N -1 3 306.362 0.867 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCC[S@@](C)=O ZINC000116901780 671137834 /nfs/dbraw/zinc/13/78/34/671137834.db2.gz YINOGQYGXLKKBX-KRWDZBQOSA-N -1 3 313.832 0.429 10 0 DCAEHM O=C([O-])CSCCNC(=O)c1cc2c(s1)CCNC2 ZINC000688038188 976160941 /nfs/dbraw/zinc/16/09/41/976160941.db2.gz JCGFZKZUUWYZTD-UHFFFAOYSA-N -1 3 300.405 0.941 10 0 DCAEHM O=C(NCc1ncccc1[O-])[C@H]1COCCN1CC(F)F ZINC000330773112 232057264 /nfs/dbraw/zinc/05/72/64/232057264.db2.gz QBQZWMPQAHAHTK-SNVBAGLBSA-N -1 3 301.293 0.369 10 0 DCAEHM O=C(O[C@@H]1C[C@@]2(O)CO[C@H]3O[C@H](O)C[C@@H]1[C@H]32)c1ccc([O-])cc1 ZINC000006092732 181311969 /nfs/dbraw/zinc/31/19/69/181311969.db2.gz ZGEFAWWFLHUTII-ZNOBHYIQSA-N -1 3 322.313 0.380 10 0 biogenic DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1ccc2c(c1)OCCCO2 ZINC000264953118 204297864 /nfs/dbraw/zinc/29/78/64/204297864.db2.gz UYGODFNKLKUETC-UHFFFAOYSA-N -1 3 319.317 0.016 10 0 DCAEHM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([O-])c1 ZINC000019731591 182139509 /nfs/dbraw/zinc/13/95/09/182139509.db2.gz DIWFEVZVLLFHJX-VIFPVBQESA-N -1 3 305.377 0.200 10 0 DCAEHM COCCS(=O)(=O)[N-][C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000104741498 194033562 /nfs/dbraw/zinc/03/35/62/194033562.db2.gz WBWFYLCJPZJIIV-GFCCVEGCSA-N -1 3 310.379 0.768 10 0 DCAEHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2CNC(=O)C2)ccc1F ZINC000110358977 194324654 /nfs/dbraw/zinc/32/46/54/194324654.db2.gz QTKBDLCMYICDEF-ZETCQYMHSA-N -1 3 315.326 0.272 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)nc1C ZINC000347969453 254206908 /nfs/dbraw/zinc/20/69/08/254206908.db2.gz UDWQTTJLZASGPA-MRVPVSSYSA-N -1 3 315.317 0.803 10 0 DCAEHM O=c1[n-]c(=O)n(C[C@@H]2CCCO2)cc1I ZINC000094206910 395739971 /nfs/dbraw/zinc/73/99/71/395739971.db2.gz PCXVXEJNKKGPJS-LURJTMIESA-N -1 3 322.102 0.320 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCNCC1 ZINC000238090819 395921436 /nfs/dbraw/zinc/92/14/36/395921436.db2.gz LPKHQCNDCNIBNX-ZDUSSCGKSA-N -1 3 303.362 0.429 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)CN2CSCC2=O)n[n-]1 ZINC000119685184 395874426 /nfs/dbraw/zinc/87/44/26/395874426.db2.gz MLJXYNJVWFGEGQ-UHFFFAOYSA-N -1 3 306.351 0.282 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)CN2CSCC2=O)[n-]n1 ZINC000119685184 395874430 /nfs/dbraw/zinc/87/44/30/395874430.db2.gz MLJXYNJVWFGEGQ-UHFFFAOYSA-N -1 3 306.351 0.282 10 0 DCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1Cc2ccccc2[C@H]1O ZINC000248998745 396001098 /nfs/dbraw/zinc/00/10/98/396001098.db2.gz PUKXRCMXTFCRLL-JIMOISOXSA-N -1 3 312.391 0.041 10 0 DCAEHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C1CCCC1 ZINC000176481079 396155920 /nfs/dbraw/zinc/15/59/20/396155920.db2.gz HTOXFGZHTPTQMX-JTQLQIEISA-N -1 3 314.411 0.393 10 0 DCAEHM CC(C)[C@@H](C)CC(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000262950326 396194019 /nfs/dbraw/zinc/19/40/19/396194019.db2.gz OPQRVLJKUOHGDH-QWHCGFSZSA-N -1 3 300.399 0.912 10 0 DCAEHM O=S(=O)([N-]CCCn1ccnn1)c1ccc(F)cc1F ZINC000183166212 396263717 /nfs/dbraw/zinc/26/37/17/396263717.db2.gz FONVCRNYLGGJCA-UHFFFAOYSA-N -1 3 302.306 0.925 10 0 DCAEHM CC[C@H](O)CN1CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000183580029 396271983 /nfs/dbraw/zinc/27/19/83/396271983.db2.gz ZPMXRBHCLCPAIE-NSHDSACASA-N -1 3 303.366 0.487 10 0 DCAEHM CC[C@H](O)CN1CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000183580029 396271986 /nfs/dbraw/zinc/27/19/86/396271986.db2.gz ZPMXRBHCLCPAIE-NSHDSACASA-N -1 3 303.366 0.487 10 0 DCAEHM CC[C@H](O)CN1CCN(C(=O)c2cccc3n[n-]nc32)CC1 ZINC000183580029 396271990 /nfs/dbraw/zinc/27/19/90/396271990.db2.gz ZPMXRBHCLCPAIE-NSHDSACASA-N -1 3 303.366 0.487 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN3CCC2CC3)co1 ZINC000188619973 396383763 /nfs/dbraw/zinc/38/37/63/396383763.db2.gz IHYDSNRGRYCMDX-UHFFFAOYSA-N -1 3 313.379 0.108 10 0 DCAEHM Cc1nc([C@H]2CCCN2C(=O)CN2CC(=O)[N-]C2=O)cs1 ZINC000188108036 396379084 /nfs/dbraw/zinc/37/90/84/396379084.db2.gz OUTYAHPJAHYHPW-SNVBAGLBSA-N -1 3 308.363 0.667 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C/C=C\CO ZINC000594820183 396521715 /nfs/dbraw/zinc/52/17/15/396521715.db2.gz UCOVCMOIOAZHAZ-PLNGDYQASA-N -1 3 303.336 0.510 10 0 DCAEHM C[C@@H](OCc1ccccc1)C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000303092374 396725129 /nfs/dbraw/zinc/72/51/29/396725129.db2.gz XPYOUQWJEDFCDC-BZNIZROVSA-N -1 3 317.345 0.402 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000630571263 397048748 /nfs/dbraw/zinc/04/87/48/397048748.db2.gz LGBKOLMTAGZKPA-GJZGRUSLSA-N -1 3 319.405 0.769 10 0 DCAEHM COc1ccc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c([O-])c1 ZINC000284653474 286279881 /nfs/dbraw/zinc/27/98/81/286279881.db2.gz WIHKFCCGFYFBEO-HIFRSBDPSA-N -1 3 306.362 0.946 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cc(-c2ccccc2)on1 ZINC000081737458 158085666 /nfs/dbraw/zinc/08/56/66/158085666.db2.gz YUUZSHGZLJKTJW-UHFFFAOYSA-N -1 3 300.274 0.832 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1ccccc1-n1cccn1 ZINC000171867431 158387424 /nfs/dbraw/zinc/38/74/24/158387424.db2.gz ATYNCBJCNMLEJY-UHFFFAOYSA-N -1 3 313.317 0.040 10 0 DCAEHM CC(=O)N1CCc2cc(NC(=O)CN3CC(=O)[N-]C3=O)ccc21 ZINC000329409046 159089381 /nfs/dbraw/zinc/08/93/81/159089381.db2.gz BLWFXUPRHSAXMB-UHFFFAOYSA-N -1 3 316.317 0.926 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000329889762 159126888 /nfs/dbraw/zinc/12/68/88/159126888.db2.gz FBDWIONMAYKAMN-LLVKDONJSA-N -1 3 304.306 0.453 10 0 DCAEHM Cc1cc(CS(=O)(=O)[N-][C@H](CO)CC(F)(F)F)no1 ZINC000330467629 159178630 /nfs/dbraw/zinc/17/86/30/159178630.db2.gz SRYWGLOOMSSPJS-QMMMGPOBSA-N -1 3 302.274 0.716 10 0 DCAEHM C[C@H]1CN(S(=O)(=O)[N-]CC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000408175600 160052892 /nfs/dbraw/zinc/05/28/92/160052892.db2.gz VRAOKHGTGVLGEJ-UWVGGRQHSA-N -1 3 308.400 0.272 10 0 DCAEHM O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000179215420 416185047 /nfs/dbraw/zinc/18/50/47/416185047.db2.gz YFGFJQDMWOJFRZ-MFKMUULPSA-N -1 3 302.330 0.851 10 0 DCAEHM Cc1cnn([C@H]2CCCN(C(=O)C(=O)[N-]c3cnns3)C2)c1 ZINC000192044117 416298252 /nfs/dbraw/zinc/29/82/52/416298252.db2.gz PCESHXQNRCWLTJ-JTQLQIEISA-N -1 3 320.378 0.845 10 0 DCAEHM O=C([N-]c1cnns1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000192089776 416298258 /nfs/dbraw/zinc/29/82/58/416298258.db2.gz XAQQUSGGAKQSQR-VIFPVBQESA-N -1 3 306.351 0.954 10 0 DCAEHM COc1ccc(F)c(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000538714455 416572989 /nfs/dbraw/zinc/57/29/89/416572989.db2.gz SALFHNAIVWLDJG-LLVKDONJSA-N -1 3 322.296 0.602 10 0 DCAEHM CCOC(=O)[C@H](CC(C)C)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366134663 416618379 /nfs/dbraw/zinc/61/83/79/416618379.db2.gz ZRQXLDNECALFFY-XHDPSFHLSA-N -1 3 311.382 0.638 10 0 DCAEHM O=S(=O)([N-]CC[C@]1(O)CCOC1)c1ccc(F)c(F)c1 ZINC000404162085 417118375 /nfs/dbraw/zinc/11/83/75/417118375.db2.gz SMEYZCIABAPHNW-LBPRGKRZSA-N -1 3 307.318 0.785 10 0 DCAEHM Cn1ncc2c(-c3nc4c(cccc4C(N)=O)[n-]3)ncn2c1=O ZINC000575310424 417524081 /nfs/dbraw/zinc/52/40/81/417524081.db2.gz WYIOCQSHCOMYRV-UHFFFAOYSA-N -1 3 309.289 0.070 10 0 DCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000179248326 261112228 /nfs/dbraw/zinc/11/22/28/261112228.db2.gz XXCYTQZHAKXOHT-GHMZBOCLSA-N -1 3 314.411 0.786 10 0 DCAEHM C[C@H](O)CN1CCN(C(=O)/C=C\c2cncc([O-])c2)C[C@@H]1C ZINC000492519249 272132860 /nfs/dbraw/zinc/13/28/60/272132860.db2.gz JFXDTEGDEFDFKJ-LDIIPZEWSA-N -1 3 305.378 0.714 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(CNc2ccncc2C#N)s1 ZINC000547501403 288053250 /nfs/dbraw/zinc/05/32/50/288053250.db2.gz KQMWITSIQUHNBO-UHFFFAOYSA-N -1 3 308.388 0.957 10 0 DCAEHM CC1(C)CN(S(=O)(=O)c2ccc([O-])cc2)C[C@@H](CO)O1 ZINC000163291752 520491418 /nfs/dbraw/zinc/49/14/18/520491418.db2.gz WBRULTDCQIKDOQ-NSHDSACASA-N -1 3 301.364 0.553 10 0 DCAEHM CCC(CC)c1cc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)on1 ZINC000156406917 521633067 /nfs/dbraw/zinc/63/30/67/521633067.db2.gz FFJBPPAGHZIINR-NSHDSACASA-N -1 3 308.338 0.793 10 0 DCAEHM CN(C)Cc1ccccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000365981350 521932918 /nfs/dbraw/zinc/93/29/18/521932918.db2.gz NUFBBIOFDOAJJB-ZDUSSCGKSA-N -1 3 316.365 0.475 10 0 DCAEHM CN(C)Cc1ccccc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000365981350 521932927 /nfs/dbraw/zinc/93/29/27/521932927.db2.gz NUFBBIOFDOAJJB-ZDUSSCGKSA-N -1 3 316.365 0.475 10 0 DCAEHM C[C@H]1COCCN1C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000267026922 524713078 /nfs/dbraw/zinc/71/30/78/524713078.db2.gz DBWYGIIUSBTDPD-MGPLVRAMSA-N -1 3 317.345 0.602 10 0 DCAEHM Cc1csc([C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)C2CC2)n1 ZINC000156400515 526438396 /nfs/dbraw/zinc/43/83/96/526438396.db2.gz ILTJNDGILBICJV-WCBMZHEXSA-N -1 3 308.363 0.617 10 0 DCAEHM COc1ccc(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c([O-])c1 ZINC000285299066 536730253 /nfs/dbraw/zinc/73/02/53/536730253.db2.gz PLISFBSYZXFWIX-UKRRQHHQSA-N -1 3 306.362 0.946 10 0 DCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCCNC3=O)cn21 ZINC000333171601 546073286 /nfs/dbraw/zinc/07/32/86/546073286.db2.gz NVRCRHDPFZECGO-VHSXEESVSA-N -1 3 312.395 0.337 10 0 DCAEHM CS(=O)(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2F)C1 ZINC000714244613 670182133 /nfs/dbraw/zinc/18/21/33/670182133.db2.gz FTXRRHLSSAREFY-ZKCHVHJHSA-N -1 3 308.356 0.075 10 0 DCAEHM O=C(N[C@@H]1CCc2ncnn2C1)c1nnc2ccccc2c1[O-] ZINC000112725306 670646421 /nfs/dbraw/zinc/64/64/21/670646421.db2.gz JVEUMGPHMBRBGX-SECBINFHSA-N -1 3 310.317 0.259 10 0 DCAEHM COC(=O)[C@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000111597316 671265934 /nfs/dbraw/zinc/26/59/34/671265934.db2.gz OXKRVCVZTXEPJF-JTQLQIEISA-N -1 3 315.329 0.948 10 0 DCAEHM CC[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1cccnc1F ZINC000401803804 774066675 /nfs/dbraw/zinc/06/66/75/774066675.db2.gz ARLDCTGZNIQKLP-VIFPVBQESA-N -1 3 303.359 0.804 10 0 DCAEHM COC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000178740417 237233741 /nfs/dbraw/zinc/23/37/41/237233741.db2.gz RCXFFOBBXOHCKO-UHFFFAOYSA-N -1 3 306.409 0.568 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cc(-c2ccccc2)on1 ZINC000155351070 291219267 /nfs/dbraw/zinc/21/92/67/291219267.db2.gz YPJDHPHZBQULRT-NSHDSACASA-N -1 3 314.301 0.556 10 0 DCAEHM Cc1cc(O)ccc1N1C(=O)C[C@@H](SC[C@@H](N)C(=O)[O-])C1=O ZINC000016900381 182063151 /nfs/dbraw/zinc/06/31/51/182063151.db2.gz DXXOAHHVUPJTLH-MWLCHTKSSA-N -1 3 324.358 0.478 10 0 DCAEHM COc1cc(C)ccc1OCC(=O)Nc1c[nH]c(=O)[n-]c1=O ZINC000021027044 182262025 /nfs/dbraw/zinc/26/20/25/182262025.db2.gz DLZLDSKIYYZKLB-UHFFFAOYSA-N -1 3 305.290 0.398 10 0 DCAEHM Cc1nc2ccccc2n1CCNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000042849476 183314460 /nfs/dbraw/zinc/31/44/60/183314460.db2.gz LROXHMFZGYCCJP-NSHDSACASA-N -1 3 315.333 0.059 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1ccc(Cl)s1 ZINC000049010933 395826085 /nfs/dbraw/zinc/82/60/85/395826085.db2.gz RNBLQOSFQDUVQA-ZETCQYMHSA-N -1 3 301.755 0.658 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)OC ZINC000049498997 395832626 /nfs/dbraw/zinc/83/26/26/395832626.db2.gz LHTOHNZFHJXELT-LURJTMIESA-N -1 3 319.335 0.523 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)C2=NN(C)C(=O)CC2)n[n-]1 ZINC000119894454 395878240 /nfs/dbraw/zinc/87/82/40/395878240.db2.gz GQKUBFAQQJTNKC-UHFFFAOYSA-N -1 3 301.310 0.357 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)C2=NN(C)C(=O)CC2)[n-]n1 ZINC000119894454 395878242 /nfs/dbraw/zinc/87/82/42/395878242.db2.gz GQKUBFAQQJTNKC-UHFFFAOYSA-N -1 3 301.310 0.357 10 0 DCAEHM CC(C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000135841127 395943094 /nfs/dbraw/zinc/94/30/94/395943094.db2.gz KLVWWNAUWGIIJX-JOYOIKCWSA-N -1 3 311.359 0.630 10 0 DCAEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)C1 ZINC000152052358 395999570 /nfs/dbraw/zinc/99/95/70/395999570.db2.gz MUDUECPJSXXXIQ-NSHDSACASA-N -1 3 316.379 0.829 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000246638490 395955361 /nfs/dbraw/zinc/95/53/61/395955361.db2.gz OQAPFFUCJQUCTL-OCCSQVGLSA-N -1 3 306.410 0.897 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)[C@H](C)CO ZINC000247007985 395963509 /nfs/dbraw/zinc/96/35/09/395963509.db2.gz ZBIPQYYRZJLCIU-UTLUCORTSA-N -1 3 320.436 0.548 10 0 DCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCO1 ZINC000155687926 396056397 /nfs/dbraw/zinc/05/63/97/396056397.db2.gz XUDXPTRESQRUAV-UHFFFAOYSA-N -1 3 310.784 0.844 10 0 DCAEHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H]1CN(C)CCO1 ZINC000176153789 396150590 /nfs/dbraw/zinc/15/05/90/396150590.db2.gz QMDNNPAAHQHAQF-NSHDSACASA-N -1 3 322.409 0.436 10 0 DCAEHM Cc1oc2ccccc2c1CNC(=O)CN1CC(=O)[N-]C1=O ZINC000184036887 396281801 /nfs/dbraw/zinc/28/18/01/396281801.db2.gz GNAWOMWKNXOCSJ-UHFFFAOYSA-N -1 3 301.302 0.909 10 0 DCAEHM Brc1cc(Br)n(Cc2nnn[n-]2)n1 ZINC000307757973 396757491 /nfs/dbraw/zinc/75/74/91/396757491.db2.gz MYHYGNHAEIXMFI-UHFFFAOYSA-N -1 3 307.937 0.970 10 0 DCAEHM Brc1cc(Br)n(Cc2nn[n-]n2)n1 ZINC000307757973 396757494 /nfs/dbraw/zinc/75/74/94/396757494.db2.gz MYHYGNHAEIXMFI-UHFFFAOYSA-N -1 3 307.937 0.970 10 0 DCAEHM CCc1ccccc1OCC(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000376511993 396939665 /nfs/dbraw/zinc/93/96/65/396939665.db2.gz FPOAAJJIWHJEBU-INIZCTEOSA-N -1 3 317.345 0.438 10 0 DCAEHM CCCCCCOCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000364601324 397225654 /nfs/dbraw/zinc/22/56/54/397225654.db2.gz OXFJDVFPVMOZAO-HNNXBMFYSA-N -1 3 311.382 0.784 10 0 DCAEHM COc1cc(C(=O)N2CC(n3ccnn3)C2)cc(OC)c1[O-] ZINC000378564510 397256253 /nfs/dbraw/zinc/25/62/53/397256253.db2.gz VFZNFIKTEMPLHD-UHFFFAOYSA-N -1 3 304.306 0.698 10 0 DCAEHM C[C@H]1CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CC(=O)N1C ZINC000407969915 397341585 /nfs/dbraw/zinc/34/15/85/397341585.db2.gz ACDHQPCZVYYHNV-LURJTMIESA-N -1 3 320.275 0.196 10 0 DCAEHM C[C@H]1CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CC(=O)N1C ZINC000407969915 397341587 /nfs/dbraw/zinc/34/15/87/397341587.db2.gz ACDHQPCZVYYHNV-LURJTMIESA-N -1 3 320.275 0.196 10 0 DCAEHM C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC(=O)N1C ZINC000407969915 397341590 /nfs/dbraw/zinc/34/15/90/397341590.db2.gz ACDHQPCZVYYHNV-LURJTMIESA-N -1 3 320.275 0.196 10 0 DCAEHM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(O)cc1[O-] ZINC000365826270 397321626 /nfs/dbraw/zinc/32/16/26/397321626.db2.gz ZOSJPPVMYBBKIB-CYBMUJFWSA-N -1 3 320.345 0.608 10 0 DCAEHM CC(C)OC(=O)[C@@H]1CCCN1Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000609895603 397796296 /nfs/dbraw/zinc/79/62/96/397796296.db2.gz JYBNDRSZIKUKHP-NSHDSACASA-N -1 3 319.365 0.985 10 0 DCAEHM CCOCCC1(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CCC1 ZINC000366149799 286040509 /nfs/dbraw/zinc/04/05/09/286040509.db2.gz MSGZMKCMWQZZFG-MRXNPFEDSA-N -1 3 323.393 0.784 10 0 DCAEHM CSc1ccccc1C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000084796369 158088761 /nfs/dbraw/zinc/08/87/61/158088761.db2.gz ZMKPSONKVRGAGT-CQSZACIVSA-N -1 3 305.359 0.833 10 0 DCAEHM Cc1nc(C)c(CCC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c(=O)[n-]1 ZINC000172352650 158394170 /nfs/dbraw/zinc/39/41/70/158394170.db2.gz FADZJUVZZGFIHK-OCZCAGDBSA-N -1 3 319.405 0.939 10 0 DCAEHM CC[C@@H](C)[C@@H](N)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000262674778 158833894 /nfs/dbraw/zinc/83/38/94/158833894.db2.gz QXQXPSFJRKXACM-XLKFXECMSA-N -1 3 305.382 0.629 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-][C@H]2CCCn3nc(C)nc32)nc1C ZINC000408058490 160025693 /nfs/dbraw/zinc/02/56/93/160025693.db2.gz KGYXRFLLOGXYOG-NSHDSACASA-N -1 3 324.410 0.925 10 0 DCAEHM C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)[N-]CC(=O)OC(C)(C)C ZINC000408238444 160066713 /nfs/dbraw/zinc/06/67/13/160066713.db2.gz XHRHTRDLHALONP-ZJUUUORDSA-N -1 3 308.400 0.272 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cn1C ZINC000408237748 160066723 /nfs/dbraw/zinc/06/67/23/160066723.db2.gz OURKGWBPWMYFEH-GDPRMGEGSA-N -1 3 312.395 0.016 10 0 DCAEHM C[C@@H]1CCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C[C@H]1O ZINC000408348150 160089858 /nfs/dbraw/zinc/08/98/58/160089858.db2.gz FADIMUCRUCDXJV-RNFRBKRXSA-N -1 3 307.276 0.736 10 0 DCAEHM C[C@@H]1CCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C[C@H]1O ZINC000408348150 160089859 /nfs/dbraw/zinc/08/98/59/160089859.db2.gz FADIMUCRUCDXJV-RNFRBKRXSA-N -1 3 307.276 0.736 10 0 DCAEHM C[C@@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@H]1O ZINC000408348150 160089860 /nfs/dbraw/zinc/08/98/60/160089860.db2.gz FADIMUCRUCDXJV-RNFRBKRXSA-N -1 3 307.276 0.736 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000408393037 160099074 /nfs/dbraw/zinc/09/90/74/160099074.db2.gz KZCYIDUTPXQPEL-FRRDWIJNSA-N -1 3 306.428 0.747 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@H]1C)[C@H]1CCCO1 ZINC000408394217 160099206 /nfs/dbraw/zinc/09/92/06/160099206.db2.gz OIQPRMWVSIEXNJ-MROQNXINSA-N -1 3 322.427 0.124 10 0 DCAEHM C[C@H]1CC[C@H](C(=O)NCC[N-]S(=O)(=O)c2cccs2)O1 ZINC000133211482 287009644 /nfs/dbraw/zinc/00/96/44/287009644.db2.gz VTNGOAMLRQWMRD-VHSXEESVSA-N -1 3 318.420 0.710 10 0 DCAEHM Cn1c2ccc(Cl)cc2nc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000064091308 415350910 /nfs/dbraw/zinc/35/09/10/415350910.db2.gz VOAQBMQCOMABSA-QMMMGPOBSA-N -1 3 321.724 0.763 10 0 DCAEHM Cc1nc(C)c(CC(=O)N2CCN3CCCC[C@@H]3C2)c(=O)[n-]1 ZINC000071839784 415408400 /nfs/dbraw/zinc/40/84/00/415408400.db2.gz ARXPYBAQEWYYPB-CYBMUJFWSA-N -1 3 304.394 0.626 10 0 DCAEHM CN(C)[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000153603164 415984904 /nfs/dbraw/zinc/98/49/04/415984904.db2.gz JFYYIFROAOZBIM-NWDGAFQWSA-N -1 3 322.340 0.143 10 0 DCAEHM COc1cccc(F)c1[C@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000173304162 416055303 /nfs/dbraw/zinc/05/53/03/416055303.db2.gz YJQDJHLEXJKGHI-LURJTMIESA-N -1 3 322.296 0.284 10 0 DCAEHM CN(CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@H]1O ZINC000328606235 416123852 /nfs/dbraw/zinc/12/38/52/416123852.db2.gz QUHAEIZQJZJCMJ-GBJTYRQASA-N -1 3 318.373 0.378 10 0 DCAEHM COc1nnc(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)[n-]1 ZINC000179378505 416186644 /nfs/dbraw/zinc/18/66/44/416186644.db2.gz MYIRQUSFXKZIAL-QMMMGPOBSA-N -1 3 314.309 0.667 10 0 DCAEHM COc1nc(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)n[n-]1 ZINC000179378505 416186649 /nfs/dbraw/zinc/18/66/49/416186649.db2.gz MYIRQUSFXKZIAL-QMMMGPOBSA-N -1 3 314.309 0.667 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)n1 ZINC000179378505 416186651 /nfs/dbraw/zinc/18/66/51/416186651.db2.gz MYIRQUSFXKZIAL-QMMMGPOBSA-N -1 3 314.309 0.667 10 0 DCAEHM C[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)C[C@@H]1N1CCOCC1 ZINC000179524079 416188907 /nfs/dbraw/zinc/18/89/07/416188907.db2.gz HVVSNXYFOJPSQA-LLEDDSNTSA-N -1 3 317.389 0.980 10 0 DCAEHM CN(CC1CC1)S(=O)(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000360630191 416400321 /nfs/dbraw/zinc/40/03/21/416400321.db2.gz RISJBUSBCQPDTJ-UHFFFAOYSA-N -1 3 322.394 0.789 10 0 DCAEHM CN(CC1CC1)S(=O)(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000360630191 416400323 /nfs/dbraw/zinc/40/03/23/416400323.db2.gz RISJBUSBCQPDTJ-UHFFFAOYSA-N -1 3 322.394 0.789 10 0 DCAEHM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1c([O-])cccc1O ZINC000436647805 416564814 /nfs/dbraw/zinc/56/48/14/416564814.db2.gz LMIMMSJWZZSADB-LLVKDONJSA-N -1 3 320.345 0.608 10 0 DCAEHM COC(=O)[C@@H]1CCN(C(=O)c2cccc([O-])c2)[C@@H](C(=O)OC)C1 ZINC000540964627 416601043 /nfs/dbraw/zinc/60/10/43/416601043.db2.gz DJMUYBOOMXZAMN-DGCLKSJQSA-N -1 3 321.329 0.959 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000436715915 416568157 /nfs/dbraw/zinc/56/81/57/416568157.db2.gz MQSMWXSZFFFBJV-QWRGUYRKSA-N -1 3 322.361 0.887 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000436719044 416569921 /nfs/dbraw/zinc/56/99/21/416569921.db2.gz YPHAXKIJIORQRG-ZJUUUORDSA-N -1 3 308.334 0.578 10 0 DCAEHM O=C(c1cccc2nccnc21)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000543587999 416642401 /nfs/dbraw/zinc/64/24/01/416642401.db2.gz OBDBSIBGCBQJJD-NSHDSACASA-N -1 3 311.301 0.006 10 0 DCAEHM CC(=O)c1cccc(NC(=O)[C@H]2CCN=C3C2=NNN3C)c1[O-] ZINC000614861293 416719781 /nfs/dbraw/zinc/71/97/81/416719781.db2.gz LRFWJPQSEDYJHO-JTQLQIEISA-N -1 3 315.333 0.758 10 0 DCAEHM CCOC(=O)CCS(=O)(=O)[N-]C(C)(C)c1noc(CC)n1 ZINC000443159644 416733898 /nfs/dbraw/zinc/73/38/98/416733898.db2.gz LVGZMMONKWHZSI-UHFFFAOYSA-N -1 3 319.383 0.740 10 0 DCAEHM CC(=O)N1CCN(C(=O)CNC(=O)c2ccc([O-])cc2)[C@H](C)C1 ZINC000532184202 417667195 /nfs/dbraw/zinc/66/71/95/417667195.db2.gz SMQSTWKJSADNQV-LLVKDONJSA-N -1 3 319.361 0.201 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000179320255 261113271 /nfs/dbraw/zinc/11/32/71/261113271.db2.gz DWWWMQQKEISSLU-ZETCQYMHSA-N -1 3 305.319 0.675 10 0 DCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC1(CO)CC1 ZINC000179728553 261113963 /nfs/dbraw/zinc/11/39/63/261113963.db2.gz MWJWRLOIEVAMKH-VIFPVBQESA-N -1 3 316.354 0.134 10 0 DCAEHM O=C(/C=C\c1cncc([O-])c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000492474541 272132126 /nfs/dbraw/zinc/13/21/26/272132126.db2.gz OPXUUKQDPVPDPW-GWQWAINWSA-N -1 3 314.345 0.925 10 0 DCAEHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188388928 280213745 /nfs/dbraw/zinc/21/37/45/280213745.db2.gz SSUOLNFECFJMHK-WCQYABFASA-N -1 3 321.352 0.377 10 0 DCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(CCO)CC1 ZINC000550749652 288218860 /nfs/dbraw/zinc/21/88/60/288218860.db2.gz FAQUEVBAEXXDQQ-UHFFFAOYSA-N -1 3 302.330 0.805 10 0 DCAEHM NS(=O)(=O)c1cccc(C2=CCOCC2)c1-c1nnn[n-]1 ZINC000584596528 337374279 /nfs/dbraw/zinc/37/42/79/337374279.db2.gz JGRUUQVFXBXERT-UHFFFAOYSA-N -1 3 307.335 0.318 10 0 DCAEHM CC(C)[C@H](O)CC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000162943969 519822727 /nfs/dbraw/zinc/82/27/27/519822727.db2.gz ZTOPTFOWSWCCTA-SNVBAGLBSA-N -1 3 320.436 0.550 10 0 DCAEHM COC(=O)C1([N-]S(=O)(=O)[C@@H]2CCO[C@H](C)C2)CCCC1 ZINC000408193610 517984377 /nfs/dbraw/zinc/98/43/77/517984377.db2.gz SYYLLQXLPKXNAT-GHMZBOCLSA-N -1 3 305.396 0.959 10 0 DCAEHM CC1(C)CN(C(=O)c2ccc3n[n-]nc3c2)CCS1(=O)=O ZINC000162946452 520456307 /nfs/dbraw/zinc/45/63/07/520456307.db2.gz OOBJBSHWSWOVEK-UHFFFAOYSA-N -1 3 308.363 0.607 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](C)CO)c(C)o1 ZINC000132048764 522267845 /nfs/dbraw/zinc/26/78/45/522267845.db2.gz WFPRBUKNPYCAIN-YUMQZZPRSA-N -1 3 304.368 0.243 10 0 DCAEHM CCc1cccc(CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000195005594 545933481 /nfs/dbraw/zinc/93/34/81/545933481.db2.gz KOELBJRSXSIVSV-QGZVFWFLSA-N -1 3 315.373 0.992 10 0 DCAEHM O=C1NCCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000311629222 659338119 /nfs/dbraw/zinc/33/81/19/659338119.db2.gz YSZOKGJMJCZRTN-QMMMGPOBSA-N -1 3 307.734 0.431 10 0 DCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCNC(=O)C(C)C ZINC000048665420 661956370 /nfs/dbraw/zinc/95/63/70/661956370.db2.gz YWAJHGYSNIOYNR-UHFFFAOYSA-N -1 3 322.818 0.432 10 0 DCAEHM COC(=O)Cc1nc(NC(=O)c2ccnc3[nH]c(C)nc32)n[n-]1 ZINC000435460623 663198185 /nfs/dbraw/zinc/19/81/85/663198185.db2.gz SCKHAZSXNFJMBM-UHFFFAOYSA-N -1 3 315.293 0.352 10 0 DCAEHM Cc1c(CC(=O)NCc2ccc3c(c2)OCO3)nc[n-]c1=O ZINC000222951315 664396611 /nfs/dbraw/zinc/39/66/11/664396611.db2.gz QUQVTELEILMEQL-UHFFFAOYSA-N -1 3 301.302 0.666 10 0 DCAEHM NC(=O)Cn1cc([N-]S(=O)(=O)/C=C/c2ccccc2)cn1 ZINC000047251576 669926410 /nfs/dbraw/zinc/92/64/10/669926410.db2.gz UGPBBZXYWBHAJS-VOTSOKGWSA-N -1 3 306.347 0.781 10 0 DCAEHM O=C1C[C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CN1 ZINC000398414838 1158118645 /nfs/dbraw/zinc/11/86/45/1158118645.db2.gz VOGTZEHAENZXPA-LURJTMIESA-N -1 3 307.734 0.289 10 0 DCAEHM O=C(CCc1c[nH]cn1)NCCNC(=O)c1ccccc1[O-] ZINC000189219309 1187877972 /nfs/dbraw/zinc/87/79/72/1187877972.db2.gz MWJWOURYGZVEGT-UHFFFAOYSA-N -1 3 302.334 0.594 10 0 DCAEHM CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1cccnc1F ZINC000401830172 768656672 /nfs/dbraw/zinc/65/66/72/768656672.db2.gz MWEJYWKGHHWCRD-UHFFFAOYSA-N -1 3 303.359 0.804 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2C(F)(F)F)cn1 ZINC000408522073 530027651 /nfs/dbraw/zinc/02/76/51/530027651.db2.gz CMVPAJNJPSMOIO-MRVPVSSYSA-N -1 3 323.296 0.767 10 0 DCAEHM O=C([O-])CN1CCN(c2nc(Cl)nc3ncccc32)CC1 ZINC000073736512 191349835 /nfs/dbraw/zinc/34/98/35/191349835.db2.gz GUINEPICMXSQED-UHFFFAOYSA-N -1 3 307.741 0.885 10 0 DCAEHM O=C(CCc1ccc(O)cc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000568590369 291435487 /nfs/dbraw/zinc/43/54/87/291435487.db2.gz ZBYOKDWWXZWTCC-INIZCTEOSA-N -1 3 317.345 0.525 10 0 DCAEHM C[C@@H]1CCC[C@H](OCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000572690143 291583015 /nfs/dbraw/zinc/58/30/15/291583015.db2.gz OYTRWYBFMAZUIF-WQGACYEGSA-N -1 3 323.393 0.782 10 0 DCAEHM C[C@H]1CCCN(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)C1 ZINC000340596309 253282234 /nfs/dbraw/zinc/28/22/34/253282234.db2.gz OCKNUJMXZFUAKA-DTWKUNHWSA-N -1 3 304.334 0.866 10 0 DCAEHM COC(=O)C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000036817728 395724739 /nfs/dbraw/zinc/72/47/39/395724739.db2.gz PJOVTCNRVPIZFC-UHFFFAOYSA-N -1 3 305.308 0.134 10 0 DCAEHM CCN(CC)CCOC(=S)[N-]C[C@H]1CCS(=O)(=O)C1 ZINC000040166441 395732954 /nfs/dbraw/zinc/73/29/54/395732954.db2.gz QQQSTKRLAJKVAC-LLVKDONJSA-N -1 3 308.469 0.654 10 0 DCAEHM CCCN1Cc2cccc(NC(=O)CN3CC(=O)[N-]C3=O)c2C1 ZINC000111598467 395809830 /nfs/dbraw/zinc/80/98/30/395809830.db2.gz XYVZFRNHGOKQIC-UHFFFAOYSA-N -1 3 316.361 0.903 10 0 DCAEHM CN(CCc1ccc(Cl)cc1)C(=O)CN1CC(=O)[N-]C1=O ZINC000113443513 395830806 /nfs/dbraw/zinc/83/08/06/395830806.db2.gz LIWCLQXMDFSQRD-UHFFFAOYSA-N -1 3 309.753 0.893 10 0 DCAEHM COc1cccc(C(=O)NCCCNS(C)(=O)=O)c1[O-] ZINC000220639324 395849803 /nfs/dbraw/zinc/84/98/03/395849803.db2.gz VTVMBLIUMJOEGX-UHFFFAOYSA-N -1 3 302.352 0.070 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2[C@H](C)COC[C@H]2C)cn1 ZINC000274639215 395963959 /nfs/dbraw/zinc/96/39/59/395963959.db2.gz KAFOJVBFFUORQJ-NXEZZACHSA-N -1 3 313.379 0.239 10 0 DCAEHM CC(C)(CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(F)cc1 ZINC000155537395 396053694 /nfs/dbraw/zinc/05/36/94/396053694.db2.gz LTFYVYGCAIDSFS-NSHDSACASA-N -1 3 307.325 0.818 10 0 DCAEHM Cc1cnc([C@@H](NC(=O)CN2CC(=O)[N-]C2=O)C2CC2)s1 ZINC000174027653 396137280 /nfs/dbraw/zinc/13/72/80/396137280.db2.gz NMSCWKSYKNXRDS-NSHDSACASA-N -1 3 308.363 0.571 10 0 DCAEHM O=C(CCCc1cccs1)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000083856631 396317376 /nfs/dbraw/zinc/31/73/76/396317376.db2.gz VMWFTENETIVGPO-CQSZACIVSA-N -1 3 307.375 0.881 10 0 DCAEHM CN(CC1(c2ccccc2)CC1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000186753965 396357767 /nfs/dbraw/zinc/35/77/67/396357767.db2.gz GJTIOGNOPOGLNX-LBPRGKRZSA-N -1 3 301.346 0.775 10 0 DCAEHM Cc1ccc(-n2cccn2)cc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000191445947 396419539 /nfs/dbraw/zinc/41/95/39/396419539.db2.gz FIZAOHOAXOLFHA-UHFFFAOYSA-N -1 3 313.317 0.671 10 0 DCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOCC[C@H]2C)cn1 ZINC000372191546 396496574 /nfs/dbraw/zinc/49/65/74/396496574.db2.gz JZOCCAUATRUWED-SNVBAGLBSA-N -1 3 313.379 0.241 10 0 DCAEHM CN1C[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2cncc([O-])c2)C1=O ZINC000375588715 396776082 /nfs/dbraw/zinc/77/60/82/396776082.db2.gz WBMYQUMRFZEIPE-KOABKASLSA-N -1 3 301.346 0.880 10 0 DCAEHM C[C@@H]1CCC[C@@H](OCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000572690144 397083314 /nfs/dbraw/zinc/08/33/14/397083314.db2.gz OYTRWYBFMAZUIF-XHBSWPGZSA-N -1 3 323.393 0.782 10 0 DCAEHM C[C@@H]1CN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000630573136 397050214 /nfs/dbraw/zinc/05/02/14/397050214.db2.gz ACZGGGZWZRWECJ-YUELXQCFSA-N -1 3 319.405 0.625 10 0 DCAEHM C[C@H](C(=O)[O-])N(C(=O)[C@H](N)CN(C)Cc1ccccc1)C1CC1 ZINC000630574437 397050363 /nfs/dbraw/zinc/05/03/63/397050363.db2.gz PPCHGWIQZNFFIP-IUODEOHRSA-N -1 3 319.405 0.910 10 0 DCAEHM CC[C@H]([N-]S(=O)(=O)C[C@@H]1CNCCO1)c1nccs1 ZINC000382380927 397273636 /nfs/dbraw/zinc/27/36/36/397273636.db2.gz RHDAGSGHICJSPJ-UWVGGRQHSA-N -1 3 305.425 0.502 10 0 DCAEHM O=C1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)CCN1 ZINC000396696571 397310825 /nfs/dbraw/zinc/31/08/25/397310825.db2.gz GNQJZCMZGYHNMS-SECBINFHSA-N -1 3 304.318 0.912 10 0 DCAEHM CCO[C@H]1C[C@]([N-]S(=O)(=O)NC(C)C)(C(=O)OC)C1(C)C ZINC000444280435 397415231 /nfs/dbraw/zinc/41/52/31/397415231.db2.gz HUWRCHJTJJUZSE-GWCFXTLKSA-N -1 3 322.427 0.566 10 0 DCAEHM CCO[C@H]1C[C@@]([N-]S(=O)(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444286200 397415515 /nfs/dbraw/zinc/41/55/15/397415515.db2.gz MHSIYAPSPFHOCH-JOYOIKCWSA-N -1 3 308.400 0.129 10 0 DCAEHM COc1ccc([O-])c(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000284604870 286337909 /nfs/dbraw/zinc/33/79/09/286337909.db2.gz SYMQKEOBZKBEDS-DZGCQCFKSA-N -1 3 306.362 0.946 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](CO)C(C)C ZINC000092407426 158113724 /nfs/dbraw/zinc/11/37/24/158113724.db2.gz XJTSTRWZZVGWAR-SNVBAGLBSA-N -1 3 319.379 0.978 10 0 DCAEHM C[C@@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000125868180 158261125 /nfs/dbraw/zinc/26/11/25/158261125.db2.gz YLQLFQKXBRGZAF-OUAUKWLOSA-N -1 3 322.427 0.660 10 0 DCAEHM Cc1nnc([C@@H]2CCCCN2C(=O)CN2CC(=O)[N-]C2=O)[nH]1 ZINC000328662184 159018440 /nfs/dbraw/zinc/01/84/40/159018440.db2.gz ALKGAYNDKASBDF-VIFPVBQESA-N -1 3 306.326 0.559 10 0 DCAEHM Cn1cc(C(=O)N2CC[C@H](Oc3ccncc3)C2)c(=O)[n-]c1=O ZINC000329913494 159128846 /nfs/dbraw/zinc/12/88/46/159128846.db2.gz XKFJTWWYJKVRGN-NSHDSACASA-N -1 3 316.317 0.174 10 0 DCAEHM Cc1cnc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c([O-])c1 ZINC000408370994 160093890 /nfs/dbraw/zinc/09/38/90/160093890.db2.gz SHXNFNBCHBWCED-ZDUSSCGKSA-N -1 3 305.378 0.890 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1CCC[C@H](C)C1)[C@@H]1CCCO1 ZINC000408393035 160099326 /nfs/dbraw/zinc/09/93/26/160099326.db2.gz KZCYIDUTPXQPEL-AVGNSLFASA-N -1 3 306.428 0.747 10 0 DCAEHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC000408409949 160102753 /nfs/dbraw/zinc/10/27/53/160102753.db2.gz GYLKSSIMXOTTFZ-UHFFFAOYSA-N -1 3 319.361 0.602 10 0 DCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000408453461 160111752 /nfs/dbraw/zinc/11/17/52/160111752.db2.gz RVDDPYWQEBPRFC-INIZCTEOSA-N -1 3 317.345 0.703 10 0 DCAEHM C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1nnc[n-]1)c1ccccc1 ZINC000086169720 415509743 /nfs/dbraw/zinc/50/97/43/415509743.db2.gz ASKNRISATUIFGK-ZJUUUORDSA-N -1 3 308.363 0.844 10 0 DCAEHM CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)[C@H]2CCO[C@H](C)C2)C1=O ZINC000333412400 415640449 /nfs/dbraw/zinc/64/04/49/415640449.db2.gz KINORZOUAWFCRB-VWYCJHECSA-N -1 3 318.395 0.009 10 0 DCAEHM O=C(Nc1cc(C2CCCC2)[nH]n1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000158708730 416001319 /nfs/dbraw/zinc/00/13/19/416001319.db2.gz ZWRNKEOYODSOPT-UHFFFAOYSA-N -1 3 317.349 0.994 10 0 DCAEHM C/C=C\C[C@@H]([N-]S(=O)(=O)N(C)CCOC)C(=O)OCC ZINC000361957497 416534545 /nfs/dbraw/zinc/53/45/45/416534545.db2.gz KXOBPBBGTKAUMW-JPVGGKMYSA-N -1 3 308.400 0.297 10 0 DCAEHM CCn1nncc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000459367812 416537599 /nfs/dbraw/zinc/53/75/99/416537599.db2.gz CWYCYFNMWNLVCC-UHFFFAOYSA-N -1 3 315.377 0.962 10 0 DCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000436713985 416568207 /nfs/dbraw/zinc/56/82/07/416568207.db2.gz GWROXMQUAUWKGA-QWRGUYRKSA-N -1 3 322.361 0.887 10 0 DCAEHM CCc1nc(C(C)(C)[N-]S(=O)(=O)C[C@H](C)C(=O)OC)no1 ZINC000443152385 416733573 /nfs/dbraw/zinc/73/35/73/416733573.db2.gz BHNMCOGZJWVVSY-QMMMGPOBSA-N -1 3 319.383 0.596 10 0 DCAEHM Cc1nc(C)c(CCC(=O)N2CCNC[C@@](C)(F)C2)c(=O)[n-]1 ZINC000517142719 416782331 /nfs/dbraw/zinc/78/23/31/416782331.db2.gz WQUKVOWMJHJNBI-OAHLLOKOSA-N -1 3 310.373 0.892 10 0 DCAEHM Cc1ccc(C(=O)C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000447743040 417021814 /nfs/dbraw/zinc/02/18/14/417021814.db2.gz FZRPCMZLCKGADU-INIZCTEOSA-N -1 3 315.329 0.378 10 0 DCAEHM CS(=O)(=O)C1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CC1 ZINC000525925679 417164540 /nfs/dbraw/zinc/16/45/40/417164540.db2.gz PFAZBLAKJHJOMO-UHFFFAOYSA-N -1 3 321.362 0.306 10 0 DCAEHM CS(=O)(=O)C1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CC1 ZINC000525925679 417164548 /nfs/dbraw/zinc/16/45/48/417164548.db2.gz PFAZBLAKJHJOMO-UHFFFAOYSA-N -1 3 321.362 0.306 10 0 DCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000179248307 261111557 /nfs/dbraw/zinc/11/15/57/261111557.db2.gz XXCYTQZHAKXOHT-WDEREUQCSA-N -1 3 314.411 0.786 10 0 DCAEHM Cc1csc([C@H](C)NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)n1 ZINC000546141898 288016333 /nfs/dbraw/zinc/01/63/33/288016333.db2.gz DJWYRTBMUBPEMX-DTWKUNHWSA-N -1 3 323.378 0.458 10 0 DCAEHM COC[C@@H](O)CC[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000130356313 522393030 /nfs/dbraw/zinc/39/30/30/522393030.db2.gz CHYSXDYVIVHHES-QMMMGPOBSA-N -1 3 311.791 0.058 10 0 DCAEHM CCn1cc(C2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)cn1 ZINC000123619364 523352016 /nfs/dbraw/zinc/35/20/16/523352016.db2.gz DMSQUUKHKVOHCA-UHFFFAOYSA-N -1 3 319.365 0.161 10 0 DCAEHM Cc1nc(C)c(CCC(=O)N2[C@H](C)CN(C)C[C@@H]2C)c(=O)[n-]1 ZINC000155664093 526708577 /nfs/dbraw/zinc/70/85/77/526708577.db2.gz HUDUUXMRHFJCHF-PHIMTYICSA-N -1 3 306.410 0.870 10 0 DCAEHM CNC(=O)[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCO1 ZINC000272975247 536397704 /nfs/dbraw/zinc/39/77/04/536397704.db2.gz CSJOSCVVJULNRG-OAHLLOKOSA-N -1 3 318.373 0.858 10 0 DCAEHM C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195168333 545934064 /nfs/dbraw/zinc/93/40/64/545934064.db2.gz WWWBIZIIKYYPQW-QMMMGPOBSA-N -1 3 323.440 0.557 10 0 DCAEHM C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195168333 545934067 /nfs/dbraw/zinc/93/40/67/545934067.db2.gz WWWBIZIIKYYPQW-QMMMGPOBSA-N -1 3 323.440 0.557 10 0 DCAEHM N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004533516 571686326 /nfs/dbraw/zinc/68/63/26/571686326.db2.gz XMAUFHMAAVTODF-OLZOCXBDSA-N -1 3 302.334 0.092 10 0 endogenous,in-man DCAEHM N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004533516 571686328 /nfs/dbraw/zinc/68/63/28/571686328.db2.gz XMAUFHMAAVTODF-OLZOCXBDSA-N -1 3 302.334 0.092 10 0 endogenous,in-man DCAEHM CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)O1 ZINC000898225165 662945135 /nfs/dbraw/zinc/94/51/35/662945135.db2.gz DAWJNFOWPSJZKW-ADEWGFFLSA-N -1 3 322.365 0.067 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000705381779 667307152 /nfs/dbraw/zinc/30/71/52/667307152.db2.gz QEZKPLNDJDJZFZ-RRFJBIMHSA-N -1 3 319.405 0.815 10 0 DCAEHM CCOc1nnc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)[n-]1 ZINC000228770805 1180399051 /nfs/dbraw/zinc/39/90/51/1180399051.db2.gz XMYRRYUSKASMGK-MADCSZMMSA-N -1 3 311.367 0.596 10 0 DCAEHM CCOc1nc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)n[n-]1 ZINC000228770805 1180399060 /nfs/dbraw/zinc/39/90/60/1180399060.db2.gz XMYRRYUSKASMGK-MADCSZMMSA-N -1 3 311.367 0.596 10 0 DCAEHM CCOc1n[n-]c(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)n1 ZINC000228770805 1180399067 /nfs/dbraw/zinc/39/90/67/1180399067.db2.gz XMYRRYUSKASMGK-MADCSZMMSA-N -1 3 311.367 0.596 10 0 DCAEHM CN(CCO)CCN(C)C(=O)c1ccsc1CC(=O)[O-] ZINC000691247357 976350284 /nfs/dbraw/zinc/35/02/84/976350284.db2.gz RDSTYBLELIZDEI-UHFFFAOYSA-N -1 3 300.380 0.371 10 0 DCAEHM O=C(C/C=C\c1ccc(F)cc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000427689389 291260848 /nfs/dbraw/zinc/26/08/48/291260848.db2.gz CNSJIHMJJSGSRQ-FYDYADQUSA-N -1 3 317.320 0.992 10 0 DCAEHM Cn1cnc(S(=O)(=O)[N-]CCc2nc3ccccc3[nH]2)c1 ZINC000015777577 182015958 /nfs/dbraw/zinc/01/59/58/182015958.db2.gz RWRZBUXPKQUTOA-UHFFFAOYSA-N -1 3 305.363 0.817 10 0 DCAEHM O=C1N[C@@H](c2ccc([O-])c(Br)c2)N2CCOC[C@@H]12 ZINC000093884252 296388981 /nfs/dbraw/zinc/38/89/81/296388981.db2.gz XLQKWDQVVWJEHX-GXSJLCMTSA-N -1 3 313.151 0.984 10 0 DCAEHM C[C@@H](CNC(=O)CN1CC(=O)[N-]C1=O)N1CCc2ccccc21 ZINC000111562776 395809727 /nfs/dbraw/zinc/80/97/27/395809727.db2.gz XKJVZBUBSNTVQR-NSHDSACASA-N -1 3 316.361 0.106 10 0 DCAEHM Cn1cc(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(=O)[n-]c1=O ZINC000273607583 395932862 /nfs/dbraw/zinc/93/28/62/395932862.db2.gz OMJFVXKSDPFAGL-GHMZBOCLSA-N -1 3 309.366 0.355 10 0 DCAEHM O=C([O-])c1ccc2c(c1)[nH]c(=O)n(CCN1CCCCC1)c2=O ZINC000070460612 396101924 /nfs/dbraw/zinc/10/19/24/396101924.db2.gz DSDACAMHFQESQK-UHFFFAOYSA-N -1 3 317.345 0.874 10 0 DCAEHM COCc1cc(N2CCN(CC(=O)[O-])CC2)nc(C(C)C)n1 ZINC000070456664 396102156 /nfs/dbraw/zinc/10/21/56/396102156.db2.gz VLKHUSFSQPEMAO-UHFFFAOYSA-N -1 3 308.382 0.953 10 0 DCAEHM CC[C@H](C)[C@@H](N)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000262674776 396171904 /nfs/dbraw/zinc/17/19/04/396171904.db2.gz QXQXPSFJRKXACM-RMLUDKJBSA-N -1 3 305.382 0.629 10 0 DCAEHM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]CC(=O)Nc1cccc(F)c1 ZINC000184412640 396294003 /nfs/dbraw/zinc/29/40/03/396294003.db2.gz FNICRAFEXQJRAL-BXKDBHETSA-N -1 3 316.354 0.861 10 0 DCAEHM CCCn1nccc1NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000185229701 396322265 /nfs/dbraw/zinc/32/22/65/396322265.db2.gz LCWKXRMOYBOLMZ-UHFFFAOYSA-N -1 3 323.378 0.849 10 0 DCAEHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000185269769 396323719 /nfs/dbraw/zinc/32/37/19/396323719.db2.gz NBQKQOSOKLRZJZ-XNPJLODASA-N -1 3 307.803 0.987 10 0 DCAEHM Cc1cccc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000192652533 396433895 /nfs/dbraw/zinc/43/38/95/396433895.db2.gz XUBLPZKWGVSFTN-INIZCTEOSA-N -1 3 316.361 0.608 10 0 DCAEHM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CNCC[C@H]2C)c1 ZINC000193404005 396450249 /nfs/dbraw/zinc/45/02/49/396450249.db2.gz UOAYEEHSEKNKAU-SCZZXKLOSA-N -1 3 302.352 0.343 10 0 DCAEHM CCO[C@@H]1C[C@@H]1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291471035 396492612 /nfs/dbraw/zinc/49/26/12/396492612.db2.gz FEBJBIIPCWUDKP-ISVAXAHUSA-N -1 3 305.334 0.946 10 0 DCAEHM COC(=O)C1(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CC1 ZINC000292103264 396530583 /nfs/dbraw/zinc/53/05/83/396530583.db2.gz ZRBYQTXALWSGHB-UHFFFAOYSA-N -1 3 319.317 0.474 10 0 DCAEHM Oc1[n-]c(N2CCN(c3nccs3)CC2)nc2nncc1-2 ZINC000302355349 396719594 /nfs/dbraw/zinc/71/95/94/396719594.db2.gz ZAHLJBTYUDPSAE-UHFFFAOYSA-N -1 3 303.351 0.842 10 0 DCAEHM Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c([O-])c1 ZINC000618676190 397010477 /nfs/dbraw/zinc/01/04/77/397010477.db2.gz PLJRMOCTTSBMSK-LLVKDONJSA-N -1 3 312.391 0.807 10 0 DCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000630571264 397048689 /nfs/dbraw/zinc/04/86/89/397048689.db2.gz LGBKOLMTAGZKPA-HUUCEWRRSA-N -1 3 319.405 0.769 10 0 DCAEHM O=C(COCc1ccccc1)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000380880603 397271521 /nfs/dbraw/zinc/27/15/21/397271521.db2.gz CIFUPZDPFMYJGJ-OAHLLOKOSA-N -1 3 303.318 0.014 10 0 DCAEHM CCO[C@H]1C[C@@]([N-]S(=O)(=O)C2CC2)(C(=O)OC)C1(C)C ZINC000444282592 397415634 /nfs/dbraw/zinc/41/56/34/397415634.db2.gz XTKKUXZLTZGVFQ-GXFFZTMASA-N -1 3 305.396 0.815 10 0 DCAEHM COC(=O)c1oc(CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000370499883 397494178 /nfs/dbraw/zinc/49/41/78/397494178.db2.gz OKSNEWZAVCNOLJ-OAHLLOKOSA-N -1 3 321.333 0.549 10 0 DCAEHM CCO[C@@H]1C[C@]([N-]S(=O)(=O)NC2CC2)(C(=O)OC)C1(C)C ZINC000444275425 286418639 /nfs/dbraw/zinc/41/86/39/286418639.db2.gz CLNSGBRREGFJSR-MFKMUULPSA-N -1 3 320.411 0.320 10 0 DCAEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CNC(N)=O)c2)n1 ZINC000058940672 158026749 /nfs/dbraw/zinc/02/67/49/158026749.db2.gz NNHQJFDKYGDNTO-UHFFFAOYSA-N -1 3 315.333 0.606 10 0 DCAEHM CCN(Cc1c(F)cccc1F)C(=O)C[C@H]1NC(=O)[N-]C1=O ZINC000069518809 158045082 /nfs/dbraw/zinc/04/50/82/158045082.db2.gz PCUXYUIEAVGBCR-LLVKDONJSA-N -1 3 311.288 0.911 10 0 DCAEHM NC(=O)CO[N-]C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000089465404 158097388 /nfs/dbraw/zinc/09/73/88/158097388.db2.gz WNFQVAPTYLEQHR-YFKPBYRVSA-N -1 3 306.244 0.067 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCN(C)C(=O)C2)n[n-]1 ZINC000119749971 158190519 /nfs/dbraw/zinc/19/05/19/158190519.db2.gz HBAVPNVHOYJXHK-SECBINFHSA-N -1 3 302.338 0.617 10 0 DCAEHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCN(C)C(=O)C2)[n-]n1 ZINC000119749971 158190522 /nfs/dbraw/zinc/19/05/22/158190522.db2.gz HBAVPNVHOYJXHK-SECBINFHSA-N -1 3 302.338 0.617 10 0 DCAEHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CCS(=O)(=O)C1 ZINC000136129770 158341348 /nfs/dbraw/zinc/34/13/48/158341348.db2.gz MLZHBFMKPUUKML-VIFPVBQESA-N -1 3 303.767 0.891 10 0 DCAEHM C[C@H](CC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)N1CCCCC1=O ZINC000328774169 159027985 /nfs/dbraw/zinc/02/79/85/159027985.db2.gz RZBMKDLPAYZUGN-GHMZBOCLSA-N -1 3 322.365 0.380 10 0 DCAEHM Cc1cc([N-]C(=O)[C@H](C)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)on1 ZINC000329210114 159073172 /nfs/dbraw/zinc/07/31/72/159073172.db2.gz ZJKJBTQXXHRTKR-GARJFASQSA-N -1 3 313.379 0.429 10 0 DCAEHM C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cn(C)c(=O)[n-]c2=O)C1 ZINC000408221723 160063221 /nfs/dbraw/zinc/06/32/21/160063221.db2.gz KPNIGIUGXGRNRK-QLJPJBMISA-N -1 3 323.393 0.793 10 0 DCAEHM O=S(=O)([N-]c1cnn(-c2ncccn2)c1)N1CCCCC1 ZINC000408232864 160065765 /nfs/dbraw/zinc/06/57/65/160065765.db2.gz WRWCZJINDGUHNP-UHFFFAOYSA-N -1 3 308.367 0.805 10 0 DCAEHM CCc1cnc(C[N-]S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)o1 ZINC000408334700 160087033 /nfs/dbraw/zinc/08/70/33/160087033.db2.gz BXIBCTGHTORXES-VHSXEESVSA-N -1 3 303.384 0.681 10 0 DCAEHM CCc1cnccc1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000408448820 160110343 /nfs/dbraw/zinc/11/03/43/160110343.db2.gz BDQGCPNPDUVZOP-OAHLLOKOSA-N -1 3 302.334 0.458 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000134872545 287018898 /nfs/dbraw/zinc/01/88/98/287018898.db2.gz HKCSANRAAWMIGU-NSHDSACASA-N -1 3 323.299 0.711 10 0 DCAEHM COCCn1ccnc1CN1CCc2nc(C)[n-]c(=O)c2CC1 ZINC000067894758 415388782 /nfs/dbraw/zinc/38/87/82/415388782.db2.gz IPGQECJCLCXKNS-UHFFFAOYSA-N -1 3 317.393 0.522 10 0 DCAEHM COCCCN(C)CCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075493673 415447385 /nfs/dbraw/zinc/44/73/85/415447385.db2.gz JAXYPHHUAYJZCF-UHFFFAOYSA-N -1 3 318.377 0.621 10 0 DCAEHM COc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000105569931 415629564 /nfs/dbraw/zinc/62/95/64/415629564.db2.gz LJDQDQQUIXLMCA-LBPRGKRZSA-N -1 3 306.362 0.948 10 0 DCAEHM COc1cccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1[O-] ZINC000105569935 415633024 /nfs/dbraw/zinc/63/30/24/415633024.db2.gz OUGZATYPZPQOPS-LBPRGKRZSA-N -1 3 306.362 0.948 10 0 DCAEHM Cn1ncc2c1ncc(C(=O)N1CCOC[C@H]1C1CC1)c2[O-] ZINC000119449175 415745810 /nfs/dbraw/zinc/74/58/10/415745810.db2.gz UHNZBEGXJQICOH-LBPRGKRZSA-N -1 3 302.334 0.925 10 0 DCAEHM Cc1ccc([O-])c(C(=O)NC[C@](C)(O)CN2CCOCC2)c1 ZINC000176901569 416136299 /nfs/dbraw/zinc/13/62/99/416136299.db2.gz RDHUOEKNCURBTC-INIZCTEOSA-N -1 3 308.378 0.514 10 0 DCAEHM O=C(N[C@@H]1CCOC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000178952836 416177635 /nfs/dbraw/zinc/17/76/35/416177635.db2.gz HVTZKURCNLVTOQ-YPMHNXCESA-N -1 3 304.346 0.902 10 0 DCAEHM Cc1ccc2c(c1)[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@@H](C)C2 ZINC000181105005 416203871 /nfs/dbraw/zinc/20/38/71/416203871.db2.gz JNPRXDWXUJWXQF-WFBYXXMGSA-N -1 3 301.346 0.943 10 0 DCAEHM Cn1cnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)n1 ZINC000182188150 416215823 /nfs/dbraw/zinc/21/58/23/416215823.db2.gz KOPMAUSJNHXGOS-UHFFFAOYSA-N -1 3 321.284 0.707 10 0 DCAEHM CN1CCOC[C@@H]1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000542818193 416631472 /nfs/dbraw/zinc/63/14/72/416631472.db2.gz KLIDSZCQYXDZMC-GFCCVEGCSA-N -1 3 302.338 0.060 10 0 DCAEHM CN1CCOC[C@@H]1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000542818193 416631474 /nfs/dbraw/zinc/63/14/74/416631474.db2.gz KLIDSZCQYXDZMC-GFCCVEGCSA-N -1 3 302.338 0.060 10 0 DCAEHM Cc1nc(CN(C)C(=O)CNC(=O)c2ccc([O-])cc2)no1 ZINC000542834514 416633687 /nfs/dbraw/zinc/63/36/87/416633687.db2.gz JEDRIWMZHUXILK-UHFFFAOYSA-N -1 3 304.306 0.472 10 0 DCAEHM CCO[C@@H]1C[C@]([N-]S(=O)(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444286202 416830030 /nfs/dbraw/zinc/83/00/30/416830030.db2.gz MHSIYAPSPFHOCH-SKDRFNHKSA-N -1 3 308.400 0.129 10 0 DCAEHM CCn1cc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)nc1C ZINC000404212401 417117095 /nfs/dbraw/zinc/11/70/95/417117095.db2.gz WHYXMHMPQAJALG-GFCCVEGCSA-N -1 3 303.384 0.031 10 0 DCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-]CC2(CCO)CC2)c1 ZINC000188940301 261130310 /nfs/dbraw/zinc/13/03/10/261130310.db2.gz IHXNHSWPIFZLKR-UHFFFAOYSA-N -1 3 301.412 0.980 10 0 DCAEHM NC(=O)[C@@H]1COCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183691951 303307723 /nfs/dbraw/zinc/30/77/23/303307723.db2.gz ULFMMZJRQLJCEQ-ZDUSSCGKSA-N -1 3 304.346 0.597 10 0 DCAEHM CC[C@@H](Cn1cc(I)c(=O)[n-]c1=O)OC ZINC000397014996 337243536 /nfs/dbraw/zinc/24/35/36/337243536.db2.gz OYFNSOJWSZHCPE-LURJTMIESA-N -1 3 324.118 0.979 10 0 DCAEHM O=C(NCc1cccc(Cl)c1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000154586911 526715136 /nfs/dbraw/zinc/71/51/36/526715136.db2.gz NUDJHXGZHOBXLR-UHFFFAOYSA-N -1 3 307.737 0.944 10 0 DCAEHM NC(=O)C1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CCC1 ZINC000532865064 546289596 /nfs/dbraw/zinc/28/95/96/546289596.db2.gz CRWLUHKOVVEHJQ-UHFFFAOYSA-N -1 3 300.322 0.385 10 0 DCAEHM NC(=O)C1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CCC1 ZINC000532865064 546289598 /nfs/dbraw/zinc/28/95/98/546289598.db2.gz CRWLUHKOVVEHJQ-UHFFFAOYSA-N -1 3 300.322 0.385 10 0 DCAEHM NC(=O)c1coc(C[N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000188245820 659330889 /nfs/dbraw/zinc/33/08/89/659330889.db2.gz YMGSYACNTQSSQG-UHFFFAOYSA-N -1 3 315.738 0.905 10 0 DCAEHM COc1ccc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)c([O-])c1 ZINC000909158384 663782617 /nfs/dbraw/zinc/78/26/17/663782617.db2.gz BRSLEZYVEAUQDL-KWCYVHTRSA-N -1 3 303.318 0.702 10 0 DCAEHM CN(C)c1nc([C@H]2CCN(C(=O)c3cc[nH]n3)C2)cc(=O)[n-]1 ZINC000864841467 667288684 /nfs/dbraw/zinc/28/86/84/667288684.db2.gz MKPQTRBNFOJJBJ-VIFPVBQESA-N -1 3 302.338 0.601 10 0 DCAEHM CN(C)c1nc([C@H]2CCN(C(=O)c3ccn[nH]3)C2)cc(=O)[n-]1 ZINC000864841467 667288686 /nfs/dbraw/zinc/28/86/86/667288686.db2.gz MKPQTRBNFOJJBJ-VIFPVBQESA-N -1 3 302.338 0.601 10 0 DCAEHM Cc1cc(=O)c(C(=O)NCCNC(=O)c2ccccc2[O-])c[nH]1 ZINC000153821337 1180550435 /nfs/dbraw/zinc/55/04/35/1180550435.db2.gz KINGWPBXDQCMOC-UHFFFAOYSA-N -1 3 315.329 0.549 10 0 DCAEHM CNC(=O)Cn1cc([N-]S(=O)(=O)N2CCC[C@H](C)C2)cn1 ZINC000172887011 529877237 /nfs/dbraw/zinc/87/72/37/529877237.db2.gz MVVYZYUDUYYWOX-JTQLQIEISA-N -1 3 315.399 0.018 10 0 DCAEHM Cn1cc([N-]S(=O)(=O)C[C@H]2CCCO2)cc(Cl)c1=O ZINC000177885247 186198805 /nfs/dbraw/zinc/19/88/05/186198805.db2.gz WEVYPUJIYPZOCR-SECBINFHSA-N -1 3 306.771 0.959 10 0 DCAEHM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([O-])c1 ZINC000019731590 182139219 /nfs/dbraw/zinc/13/92/19/182139219.db2.gz DIWFEVZVLLFHJX-SECBINFHSA-N -1 3 305.377 0.200 10 0 DCAEHM CCc1cc(=O)[n-]c(CN2C[C@H](O)C[C@H]2c2nc(C)no2)n1 ZINC000339199583 253039241 /nfs/dbraw/zinc/03/92/41/253039241.db2.gz CBRNJBWRHZMSRJ-MNOVXSKESA-N -1 3 305.338 0.744 10 0 DCAEHM Cn1ccnc1[C@@H]1CN(C(=O)c2cncc([O-])c2)CCN1C ZINC000275529277 130330605 /nfs/dbraw/zinc/33/06/05/130330605.db2.gz DNDFZRQNPNNFLA-ZDUSSCGKSA-N -1 3 301.350 0.650 10 0 DCAEHM COCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000028650952 395696174 /nfs/dbraw/zinc/69/61/74/395696174.db2.gz VDSKXIAASQAKJH-VIFPVBQESA-N -1 3 304.343 0.255 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cccc2c1OCCCO2 ZINC000270906983 395821201 /nfs/dbraw/zinc/82/12/01/395821201.db2.gz TZZPPBRKLPFJEW-JTQLQIEISA-N -1 3 319.317 0.062 10 0 DCAEHM C[C@@H](CS(C)(=O)=O)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119606554 395873174 /nfs/dbraw/zinc/87/31/74/395873174.db2.gz UDQFSSJTKHAXAF-QMMMGPOBSA-N -1 3 311.367 0.429 10 0 DCAEHM C[C@@H](CS(C)(=O)=O)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119606554 395873175 /nfs/dbraw/zinc/87/31/75/395873175.db2.gz UDQFSSJTKHAXAF-QMMMGPOBSA-N -1 3 311.367 0.429 10 0 DCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000171860566 396126701 /nfs/dbraw/zinc/12/67/01/396126701.db2.gz PQLZHFBVEDMKEB-UHFFFAOYSA-N -1 3 305.319 0.629 10 0 DCAEHM Cn1ncnc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000162932454 396085101 /nfs/dbraw/zinc/08/51/01/396085101.db2.gz PZECHYMEOXATJI-NSHDSACASA-N -1 3 315.333 0.764 10 0 DCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)c1 ZINC000176750401 396159931 /nfs/dbraw/zinc/15/99/31/396159931.db2.gz DPWAMSRSNUWZGD-NSHDSACASA-N -1 3 324.410 0.944 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN3CCC[C@@H]3C2)co1 ZINC000178886763 396212979 /nfs/dbraw/zinc/21/29/79/396212979.db2.gz UIUQMNIKNGEBEB-LLVKDONJSA-N -1 3 313.379 0.108 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(CO)c(F)c2)cn1C ZINC000178627265 396202103 /nfs/dbraw/zinc/20/21/03/396202103.db2.gz RINARVCOPNDIGK-UHFFFAOYSA-N -1 3 313.354 0.838 10 0 DCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@]2(CNC(=O)C2)C1 ZINC000281930451 396249656 /nfs/dbraw/zinc/24/96/56/396249656.db2.gz BDGQWLNTWRXNEU-AWEZNQCLSA-N -1 3 303.297 0.449 10 0 DCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@]2(CNC(=O)C2)C1 ZINC000281930451 396249659 /nfs/dbraw/zinc/24/96/59/396249659.db2.gz BDGQWLNTWRXNEU-AWEZNQCLSA-N -1 3 303.297 0.449 10 0 DCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@]2(CNC(=O)C2)C1 ZINC000281930451 396249661 /nfs/dbraw/zinc/24/96/61/396249661.db2.gz BDGQWLNTWRXNEU-AWEZNQCLSA-N -1 3 303.297 0.449 10 0 DCAEHM C[C@H]1Cc2ccccc2N1CCNC(=O)CN1CC(=O)[N-]C1=O ZINC000078646494 396251398 /nfs/dbraw/zinc/25/13/98/396251398.db2.gz AIAKGLWQQKOQSI-NSHDSACASA-N -1 3 316.361 0.106 10 0 DCAEHM COc1ccc([O-])c(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1 ZINC000286437268 396395567 /nfs/dbraw/zinc/39/55/67/396395567.db2.gz TUMQISUBUTWPPT-NEPJUHHUSA-N -1 3 305.334 0.639 10 0 DCAEHM O=S(=O)([N-][C@H]1CCOC[C@H]1O)c1ccc(Cl)cc1F ZINC000625596666 396942783 /nfs/dbraw/zinc/94/27/83/396942783.db2.gz LMFQUGPTVUXLPY-VHSXEESVSA-N -1 3 309.746 0.907 10 0 DCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000630572112 397050377 /nfs/dbraw/zinc/05/03/77/397050377.db2.gz ZXJUGNFSKBHGRA-LSDHHAIUSA-N -1 3 319.405 0.911 10 0 DCAEHM Cc1nc(C)c(S(=O)(=O)[N-]CC(=O)N2CCCC2)s1 ZINC000408339822 160088256 /nfs/dbraw/zinc/08/82/56/160088256.db2.gz MGJPAKPNZJKDGD-UHFFFAOYSA-N -1 3 303.409 0.661 10 0 DCAEHM CCc1onc(C)c1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000408450030 160111187 /nfs/dbraw/zinc/11/11/87/160111187.db2.gz HZGKZRXANYEMPQ-AWEZNQCLSA-N -1 3 306.322 0.360 10 0 DCAEHM CN(C)C[C@@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCO1 ZINC000152999680 287046068 /nfs/dbraw/zinc/04/60/68/287046068.db2.gz WBMQEFGFDLHRFK-CQSZACIVSA-N -1 3 317.393 0.735 10 0 DCAEHM CCN(CC)[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccco1 ZINC000067275434 415375270 /nfs/dbraw/zinc/37/52/70/415375270.db2.gz XWFVQXJQWSNTPJ-QWRGUYRKSA-N -1 3 322.365 0.377 10 0 DCAEHM C[C@@H]1C[C@H](S(=O)(=O)[N-][C@@H]2CN(c3ccccc3)C2=O)CCO1 ZINC000333276919 415598163 /nfs/dbraw/zinc/59/81/63/415598163.db2.gz DMFCRKFBNFSMNL-MRVWCRGKSA-N -1 3 324.402 0.889 10 0 DCAEHM C[C@@H](CCO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127234040 415885759 /nfs/dbraw/zinc/88/57/59/415885759.db2.gz REXUJALSQINQQQ-WCQYABFASA-N -1 3 306.362 0.884 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)CCO ZINC000133917631 415950438 /nfs/dbraw/zinc/95/04/38/415950438.db2.gz HILDYGKDWLOYDI-ZETCQYMHSA-N -1 3 305.352 0.732 10 0 DCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000153527343 415982743 /nfs/dbraw/zinc/98/27/43/415982743.db2.gz NGSFFLYRJXQQRV-LBPRGKRZSA-N -1 3 305.309 0.915 10 0 DCAEHM CN1CCN(C(=O)c2ccc3n[n-]nc3c2)C[C@@H]1c1ncc[nH]1 ZINC000328616806 416123420 /nfs/dbraw/zinc/12/34/20/416123420.db2.gz CBRXLJMRMLMTJD-CYBMUJFWSA-N -1 3 311.349 0.810 10 0 DCAEHM CNC(=O)[C@H]([N-]S(=O)(=O)c1sccc1OC)C(C)C ZINC000178929577 416177711 /nfs/dbraw/zinc/17/77/11/416177711.db2.gz WEOMZTJXKNGMEB-SECBINFHSA-N -1 3 306.409 0.806 10 0 DCAEHM COc1nnc(NC(=O)CNC(=O)Cc2cccc(F)c2)[n-]1 ZINC000179377467 416187510 /nfs/dbraw/zinc/18/75/10/416187510.db2.gz AGFKGBLBHRYYAV-UHFFFAOYSA-N -1 3 307.285 0.250 10 0 DCAEHM COc1nc(NC(=O)CNC(=O)Cc2cccc(F)c2)n[n-]1 ZINC000179377467 416187515 /nfs/dbraw/zinc/18/75/15/416187515.db2.gz AGFKGBLBHRYYAV-UHFFFAOYSA-N -1 3 307.285 0.250 10 0 DCAEHM COc1n[n-]c(NC(=O)CNC(=O)Cc2cccc(F)c2)n1 ZINC000179377467 416187517 /nfs/dbraw/zinc/18/75/17/416187517.db2.gz AGFKGBLBHRYYAV-UHFFFAOYSA-N -1 3 307.285 0.250 10 0 DCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](CO)C2CC2)c(C)o1 ZINC000358296541 416221839 /nfs/dbraw/zinc/22/18/39/416221839.db2.gz DJZYWGDZAKSMDW-SNVBAGLBSA-N -1 3 316.379 0.244 10 0 DCAEHM CC(=O)N1CSC[C@@H]1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331101117 416264987 /nfs/dbraw/zinc/26/49/87/416264987.db2.gz BRSDBADIEIRBMD-ZCFIWIBFSA-N -1 3 323.300 0.361 10 0 DCAEHM CC(=O)N1CSC[C@@H]1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331101117 416264990 /nfs/dbraw/zinc/26/49/90/416264990.db2.gz BRSDBADIEIRBMD-ZCFIWIBFSA-N -1 3 323.300 0.361 10 0 DCAEHM CC(=O)N1CSC[C@@H]1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331101117 416264993 /nfs/dbraw/zinc/26/49/93/416264993.db2.gz BRSDBADIEIRBMD-ZCFIWIBFSA-N -1 3 323.300 0.361 10 0 DCAEHM CCCn1ccnc1CCCN(C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000192252337 416302592 /nfs/dbraw/zinc/30/25/92/416302592.db2.gz YUQSIMDGZQHAQU-NSHDSACASA-N -1 3 321.381 0.282 10 0 DCAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F ZINC000331199321 416285448 /nfs/dbraw/zinc/28/54/48/416285448.db2.gz UGSYGNPWRQKTAU-RXMQYKEDSA-N -1 3 321.708 0.665 10 0 DCAEHM CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1 ZINC000194658185 416324540 /nfs/dbraw/zinc/32/45/40/416324540.db2.gz RMOFSCMOYDXMAC-SNVBAGLBSA-N -1 3 315.395 0.402 10 0 DCAEHM CCN(CC(=O)OC)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436960281 416575958 /nfs/dbraw/zinc/57/59/58/416575958.db2.gz KBLPFWKTEFCNED-UHFFFAOYSA-N -1 3 322.361 0.842 10 0 DCAEHM Cc1nc(SCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)n[nH]1 ZINC000539323579 416577131 /nfs/dbraw/zinc/57/71/31/416577131.db2.gz IXLDEFSSWKMUAZ-MRVPVSSYSA-N -1 3 308.371 0.125 10 0 DCAEHM C[S@@](=O)c1ccc(CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000435035811 287358304 /nfs/dbraw/zinc/35/83/04/287358304.db2.gz QSYMELBBFRKRST-OYHNWAKOSA-N -1 3 321.402 0.598 10 0 DCAEHM C[S@](=O)c1ccc(CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000435035592 287358398 /nfs/dbraw/zinc/35/83/98/287358398.db2.gz QSYMELBBFRKRST-NYHFZMIOSA-N -1 3 321.402 0.598 10 0 DCAEHM CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2c[n-]nn2)C1 ZINC000620724367 417269267 /nfs/dbraw/zinc/26/92/67/417269267.db2.gz LABGBGOTRBDUEE-AWEZNQCLSA-N -1 3 314.393 0.351 10 0 DCAEHM CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC000620724367 417269275 /nfs/dbraw/zinc/26/92/75/417269275.db2.gz LABGBGOTRBDUEE-AWEZNQCLSA-N -1 3 314.393 0.351 10 0 DCAEHM CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cn[n-]n2)C1 ZINC000620724367 417269280 /nfs/dbraw/zinc/26/92/80/417269280.db2.gz LABGBGOTRBDUEE-AWEZNQCLSA-N -1 3 314.393 0.351 10 0 DCAEHM C[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C[C@@H]1O ZINC000221839899 261152325 /nfs/dbraw/zinc/15/23/25/261152325.db2.gz GFDQEOIMTVJJLC-GWCFXTLKSA-N -1 3 312.391 0.901 10 0 DCAEHM CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(=O)[O-] ZINC000001569742 278997887 /nfs/dbraw/zinc/99/78/87/278997887.db2.gz HYIFFZAQXPUEAU-WDEREUQCSA-N -1 3 301.387 0.092 10 0 DCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC(CO)C1 ZINC000548465932 288146145 /nfs/dbraw/zinc/14/61/45/288146145.db2.gz IRZAOWIBBUVSPJ-UHFFFAOYSA-N -1 3 302.334 0.616 10 0 DCAEHM Cn1ncc2c1ncn(CC(=O)Nc1cc(F)ccc1[O-])c2=O ZINC000174870739 341832663 /nfs/dbraw/zinc/83/26/63/341832663.db2.gz FCUBJNQIFSAZEC-UHFFFAOYSA-N -1 3 317.280 0.613 10 0 DCAEHM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)CCC1=O ZINC000186541359 524784963 /nfs/dbraw/zinc/78/49/63/524784963.db2.gz LBOGOUORHCDJFZ-SECBINFHSA-N -1 3 316.404 0.464 10 0 DCAEHM O=S(=O)([N-]C[C@H](O)CN1CCCCC1)c1cccs1 ZINC000158952897 527225968 /nfs/dbraw/zinc/22/59/68/527225968.db2.gz SKZZIADBNFVYBX-NSHDSACASA-N -1 3 304.437 0.873 10 0 DCAEHM COc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)s1 ZINC000311670065 659349119 /nfs/dbraw/zinc/34/91/19/659349119.db2.gz HEQLRVNARHSDSM-RKDXNWHRSA-N -1 3 306.409 0.981 10 0 DCAEHM COC[C@@](C)(CCO)NC(=O)c1nnc2ccccc2c1[O-] ZINC000182821130 665916092 /nfs/dbraw/zinc/91/60/92/665916092.db2.gz FOHYAWBXNCCWIM-OAHLLOKOSA-N -1 3 305.334 0.440 10 0 DCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)[C@@H](C)O ZINC000344957660 663081675 /nfs/dbraw/zinc/08/16/75/663081675.db2.gz UCFZUVGSHWWCNF-HTQZYQBOSA-N -1 3 305.327 0.660 10 0 DCAEHM CN(CC1CC1)C(=O)COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000732339398 664913684 /nfs/dbraw/zinc/91/36/84/664913684.db2.gz HWPQIKDQFLDQPS-UHFFFAOYSA-N -1 3 316.313 0.595 10 0 DCAEHM O=C(c1cc([O-])cc(Br)c1)N1CCOC[C@H]1CO ZINC000700836993 666771364 /nfs/dbraw/zinc/77/13/64/666771364.db2.gz SGERCBQRIAVAIO-SNVBAGLBSA-N -1 3 316.151 0.988 10 0 DCAEHM CS(=O)(=O)N1CC[C@H](CN2CCSC[C@H]2CC(=O)[O-])C1 ZINC000690831706 976337544 /nfs/dbraw/zinc/33/75/44/976337544.db2.gz PZPUCUYBFXKHOG-GHMZBOCLSA-N -1 3 322.452 0.160 10 0 DCAEHM C[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@@H]1N1CCOCC1 ZINC000173973406 198275485 /nfs/dbraw/zinc/27/54/85/198275485.db2.gz HUFQETAETSPBFZ-ABAIWWIYSA-N -1 3 315.377 0.751 10 0 DCAEHM C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@@H]1N1CCOCC1 ZINC000179524219 199050560 /nfs/dbraw/zinc/05/05/60/199050560.db2.gz ZCRZKFUXOLEWLN-RISCZKNCSA-N -1 3 306.362 0.891 10 0 DCAEHM O=C1[N-]C(=O)[C@H](Cc2nc(-c3ccc4c(c3)CCO4)no2)N1 ZINC000180803704 199210958 /nfs/dbraw/zinc/21/09/58/199210958.db2.gz GRLWOVWKILJXQP-VIFPVBQESA-N -1 3 300.274 0.422 10 0 DCAEHM Cn1cnnc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000157139495 291227369 /nfs/dbraw/zinc/22/73/69/291227369.db2.gz YELCZHDPJFVCLT-LLVKDONJSA-N -1 3 315.333 0.764 10 0 DCAEHM Cc1nc(N)[n-]c(=O)c1CCCNC(=O)Cc1ccccc1 ZINC000017039737 182070957 /nfs/dbraw/zinc/07/09/57/182070957.db2.gz ZKFMYEJYQVMJEL-UHFFFAOYSA-N -1 3 300.362 0.952 10 0 DCAEHM CCN(CC)CCOC(=S)[N-][C@]1(C)CCS(=O)(=O)C1 ZINC000040166450 183042737 /nfs/dbraw/zinc/04/27/37/183042737.db2.gz CPWDMPNGWZIOCD-GFCCVEGCSA-N -1 3 308.469 0.797 10 0 DCAEHM CN(C)c1ncccc1CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104849474 194046482 /nfs/dbraw/zinc/04/64/82/194046482.db2.gz RUTYWVMHEYYXPX-UHFFFAOYSA-N -1 3 324.340 0.961 10 0 DCAEHM CN(C)c1ccc(Cl)cc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000091039554 395721165 /nfs/dbraw/zinc/72/11/65/395721165.db2.gz ABQADTAINMTNFA-VIFPVBQESA-N -1 3 310.741 0.943 10 0 DCAEHM Cc1nc(S(=O)(=O)[N-]Cc2cccnc2N(C)C)cn1C ZINC000195527541 395831544 /nfs/dbraw/zinc/83/15/44/395831544.db2.gz QDLDLFOVGGQPON-UHFFFAOYSA-N -1 3 309.395 0.668 10 0 DCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCO2)cc1F ZINC000273567307 395930759 /nfs/dbraw/zinc/93/07/59/395930759.db2.gz ZZXSDJXGBPPXJZ-UHFFFAOYSA-N -1 3 324.355 0.523 10 0 DCAEHM CC[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000163718250 396086869 /nfs/dbraw/zinc/08/68/69/396086869.db2.gz OPTCQPKSJQHIQW-YPMHNXCESA-N -1 3 306.362 0.884 10 0 DCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCCOC1 ZINC000170937171 396102437 /nfs/dbraw/zinc/10/24/37/396102437.db2.gz ISIFAHLTJPNHDZ-SNVBAGLBSA-N -1 3 318.420 0.712 10 0 DCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@H]1CCCOC1 ZINC000171693213 396122624 /nfs/dbraw/zinc/12/26/24/396122624.db2.gz MAIQHUXJRTXVIJ-NSHDSACASA-N -1 3 317.345 0.375 10 0 DCAEHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000176538356 396156509 /nfs/dbraw/zinc/15/65/09/396156509.db2.gz SZIZOSVULDIEFX-WCQYABFASA-N -1 3 301.346 0.943 10 0 DCAEHM CC[C@@H](C)[C@@H](N)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000262598386 396159609 /nfs/dbraw/zinc/15/96/09/396159609.db2.gz AKGVNEJOUGXZDE-PHDIDXHHSA-N -1 3 307.401 0.222 10 0 DCAEHM Cc1ccnn1-c1ccccc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000182215163 396248039 /nfs/dbraw/zinc/24/80/39/396248039.db2.gz HTTUAHSEBXEBMB-UHFFFAOYSA-N -1 3 313.317 0.671 10 0 DCAEHM C[C@H]1COCCN1C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000269076663 396384206 /nfs/dbraw/zinc/38/42/06/396384206.db2.gz HIHVFRGVKFQQJO-QFYYESIMSA-N -1 3 317.345 0.602 10 0 DCAEHM Cc1cc(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)[n-]c(=O)n1 ZINC000328633930 396826487 /nfs/dbraw/zinc/82/64/87/396826487.db2.gz SWNLUOAJJGJYFX-LLVKDONJSA-N -1 3 302.338 0.343 10 0 DCAEHM CC(C)[C@@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)C(=O)[O-] ZINC000630574928 397050652 /nfs/dbraw/zinc/05/06/52/397050652.db2.gz UXKZETKMOCDCTR-HUUCEWRRSA-N -1 3 321.421 0.919 10 0 DCAEHM CC(=O)c1ccc(C(=O)NC[C@H](C)S(N)(=O)=O)cc1[O-] ZINC000613184571 397213069 /nfs/dbraw/zinc/21/30/69/397213069.db2.gz YILIHNIOEZNNNQ-ZETCQYMHSA-N -1 3 300.336 0.002 10 0 DCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO ZINC000167329605 158368427 /nfs/dbraw/zinc/36/84/27/158368427.db2.gz ACTCPTWYOIJICV-YUMQZZPRSA-N -1 3 319.379 0.978 10 0 DCAEHM CN1CC[C@@H](NCc2nc(=O)n(C)[n-]2)[C@H]1c1ccc(F)c(F)c1 ZINC000329785067 159119528 /nfs/dbraw/zinc/11/95/28/159119528.db2.gz PTIRJJKQVYKTPB-TZMCWYRMSA-N -1 3 323.347 0.922 10 0 DCAEHM Cc1cc(CS(=O)(=O)[N-][C@@H](C)C(=O)N2CCCCC2)on1 ZINC000330133245 159144672 /nfs/dbraw/zinc/14/46/72/159144672.db2.gz LUACYKRQOTZXSJ-NSHDSACASA-N -1 3 315.395 0.803 10 0 DCAEHM CCN1CCN([C@@H]2CCN(C(=O)c3ncc(C)cc3[O-])C2)CC1 ZINC000408106676 160037324 /nfs/dbraw/zinc/03/73/24/160037324.db2.gz YZBDREPDHIVTNO-CQSZACIVSA-N -1 3 318.421 0.948 10 0 DCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C1CCC(C(N)=O)CC1 ZINC000408121909 160041214 /nfs/dbraw/zinc/04/12/14/160041214.db2.gz SJBHKRVSWRGWCC-UHFFFAOYSA-N -1 3 301.368 0.614 10 0 DCAEHM CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)N2CCC[C@H](C)C2)C1=O ZINC000408341488 160088095 /nfs/dbraw/zinc/08/80/95/160088095.db2.gz RKLXUBXFGNFPON-WDEREUQCSA-N -1 3 317.411 0.089 10 0 DCAEHM C[C@@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccc(F)cc1F ZINC000074178816 286915410 /nfs/dbraw/zinc/91/54/10/286915410.db2.gz BLUMKTKYAQNTSI-LURJTMIESA-N -1 3 324.287 0.457 10 0 DCAEHM C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)S(=O)(=O)c1nnc[n-]1 ZINC000246048213 287075616 /nfs/dbraw/zinc/07/56/16/287075616.db2.gz ALXUWTQCIDKUFK-AEJSXWLSSA-N -1 3 300.384 0.471 10 0 DCAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CCS(=O)(=O)[C@@H](C)C2)on1 ZINC000247079304 287091058 /nfs/dbraw/zinc/09/10/58/287091058.db2.gz NCRQRHGHCWMKAI-VHSXEESVSA-N -1 3 301.368 0.429 10 0 DCAEHM C[C@@H]1CN(C)c2ccccc2N(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000091061330 415531430 /nfs/dbraw/zinc/53/14/30/415531430.db2.gz KEJSLLRJLSTNCH-MNOVXSKESA-N -1 3 316.361 0.704 10 0 DCAEHM COC[C@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@H]1C)c1ccco1 ZINC000175353322 416103548 /nfs/dbraw/zinc/10/35/48/416103548.db2.gz RMEVDAYZZYIYCZ-WOPDTQHZSA-N -1 3 318.395 0.911 10 0 DCAEHM COc1cncc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)n1 ZINC000357777687 416130481 /nfs/dbraw/zinc/13/04/81/416130481.db2.gz FVJCDUXUCJAAON-UHFFFAOYSA-N -1 3 311.305 0.841 10 0 DCAEHM COc1cncc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)n1 ZINC000357777687 416130484 /nfs/dbraw/zinc/13/04/84/416130484.db2.gz FVJCDUXUCJAAON-UHFFFAOYSA-N -1 3 311.305 0.841 10 0 DCAEHM C[S@@](=O)c1ccc(CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000435035590 287358406 /nfs/dbraw/zinc/35/84/06/287358406.db2.gz QSYMELBBFRKRST-IVZQSRNASA-N -1 3 321.402 0.598 10 0 DCAEHM C/C=C/C[C@@H]([N-]S(=O)(=O)C1(COC)CC1)C(=O)OCC ZINC000451395755 417341805 /nfs/dbraw/zinc/34/18/05/417341805.db2.gz XBCPLUJHUMQQAA-DUMNWFOQSA-N -1 3 305.396 0.983 10 0 DCAEHM CC(C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000202357238 545935837 /nfs/dbraw/zinc/93/58/37/545935837.db2.gz DOFAQXCYFQKSHT-WOPDTQHZSA-N -1 3 311.382 0.036 10 0 DCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H](C)C(=O)N(C)C)c2=O ZINC000362383316 262028879 /nfs/dbraw/zinc/02/88/79/262028879.db2.gz MMWFXNFYYOSYBF-SECBINFHSA-N -1 3 317.345 0.743 10 0 DCAEHM C[C@H]1[C@H](CO)CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000362474186 262038875 /nfs/dbraw/zinc/03/88/75/262038875.db2.gz RDQUMNITPGQPCT-IUCAKERBSA-N -1 3 303.318 0.805 10 0 DCAEHM CC(=O)c1ccc(C(=O)N2CCN3C(=O)N=NC3C2)cc1[O-] ZINC000412257316 262184353 /nfs/dbraw/zinc/18/43/53/262184353.db2.gz WSSNTCVUMGWHRL-UHFFFAOYSA-N -1 3 302.290 0.548 10 0 DCAEHM O=C(NCCc1cn[nH]c1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000359138757 271098949 /nfs/dbraw/zinc/09/89/49/271098949.db2.gz BUWANTXUXXXFGP-UHFFFAOYSA-N -1 3 303.248 0.589 10 0 DCAEHM O=C(NCCc1cn[nH]c1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000359138757 271098953 /nfs/dbraw/zinc/09/89/53/271098953.db2.gz BUWANTXUXXXFGP-UHFFFAOYSA-N -1 3 303.248 0.589 10 0 DCAEHM O=C(NCCc1cn[nH]c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000359138757 271098958 /nfs/dbraw/zinc/09/89/58/271098958.db2.gz BUWANTXUXXXFGP-UHFFFAOYSA-N -1 3 303.248 0.589 10 0 DCAEHM COC(=O)C(C)(C)N1CCN(c2nc3nncc-3c(O)[n-]2)CC1 ZINC000489973102 272068335 /nfs/dbraw/zinc/06/83/35/272068335.db2.gz PWLGHUYUEDXVKV-UHFFFAOYSA-N -1 3 320.353 0.132 10 0 DCAEHM COCCN1CCN(C(=O)/C=C\c2cncc([O-])c2)C[C@@H]1C ZINC000492447951 272130430 /nfs/dbraw/zinc/13/04/30/272130430.db2.gz WHCHAGHULATBNG-SCOBNMCVSA-N -1 3 305.378 0.980 10 0 DCAEHM COc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)[n-]1 ZINC000182990472 274168674 /nfs/dbraw/zinc/16/86/74/274168674.db2.gz QDIVXFQLRSKJPT-LBPRGKRZSA-N -1 3 315.333 0.725 10 0 DCAEHM COc1nc(NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)n[n-]1 ZINC000182990472 274168675 /nfs/dbraw/zinc/16/86/75/274168675.db2.gz QDIVXFQLRSKJPT-LBPRGKRZSA-N -1 3 315.333 0.725 10 0 DCAEHM COc1n[n-]c(NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)n1 ZINC000182990472 274168676 /nfs/dbraw/zinc/16/86/76/274168676.db2.gz QDIVXFQLRSKJPT-LBPRGKRZSA-N -1 3 315.333 0.725 10 0 DCAEHM Cc1csc([C@@H](C)NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)n1 ZINC000546141897 288016262 /nfs/dbraw/zinc/01/62/62/288016262.db2.gz DJWYRTBMUBPEMX-BDAKNGLRSA-N -1 3 323.378 0.458 10 0 DCAEHM CC(=O)c1cccc(NC(=O)[C@H](O)Cc2cnn(C)c2)c1[O-] ZINC000577282249 341902236 /nfs/dbraw/zinc/90/22/36/341902236.db2.gz BJBCXBIIGDVBBZ-CYBMUJFWSA-N -1 3 303.318 0.870 10 0 DCAEHM CO[C@H](C)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000189110572 523884840 /nfs/dbraw/zinc/88/48/40/523884840.db2.gz IHBISBWVWHDRCU-ZJUUUORDSA-N -1 3 318.370 0.644 10 0 DCAEHM Cc1ccccc1C1(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000155404473 525080408 /nfs/dbraw/zinc/08/04/08/525080408.db2.gz RPPKJVAXYVCTLZ-LBPRGKRZSA-N -1 3 301.346 0.741 10 0 DCAEHM O=C(NCc1ccc(Cl)cc1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000154560506 526659395 /nfs/dbraw/zinc/65/93/95/526659395.db2.gz NHJQOARVVRVLCP-UHFFFAOYSA-N -1 3 307.737 0.944 10 0 DCAEHM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000226054335 664498447 /nfs/dbraw/zinc/49/84/47/664498447.db2.gz ZXCOYKDKLSIQSG-WPRPVWTQSA-N -1 3 316.379 0.857 10 0 DCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC[S@](C)=O ZINC000735052877 666944348 /nfs/dbraw/zinc/94/43/48/666944348.db2.gz PBWFLYHCZNSXJS-QFIPXVFZSA-N -1 3 322.390 0.660 10 0 DCAEHM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC000131818463 669686340 /nfs/dbraw/zinc/68/63/40/669686340.db2.gz ACVUDCZOYLINFI-VHSXEESVSA-N -1 3 314.345 0.697 10 0 DCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000041120455 669823019 /nfs/dbraw/zinc/82/30/19/669823019.db2.gz OXIWNAHUJDVSGG-JTQLQIEISA-N -1 3 315.351 0.553 10 0 DCAEHM COc1ncc(S(=O)(=O)[N-][C@H]2CCNC(=O)CC2)s1 ZINC000396698725 685270907 /nfs/dbraw/zinc/27/09/07/685270907.db2.gz HPJZKTHQTNWULK-SSDOTTSWSA-N -1 3 305.381 0.099 10 0 DCAEHM Cn1cc(CC(=O)NCCNC(=O)c2ccccc2[O-])cn1 ZINC000171270651 1183717881 /nfs/dbraw/zinc/71/78/81/1183717881.db2.gz OCTSEQQPOBZLOY-UHFFFAOYSA-N -1 3 302.334 0.214 10 0 DCAEHM